| Human parainfluenza virus 3 |
ED50 |
> |
0.0005 |
M |
In vitro antiviral activity was tested against, parainfluenza type 3 (Para 3) virus |
CHEMBL1122818 |
| Measles virus |
ED50 |
> |
0.0005 |
M |
In vitro antiviral activity was tested against, measles virus |
CHEMBL1122818 |
| Vaccinia virus |
ED50 |
= |
5e-06 |
M |
In vitro antiviral activity was tested against, vaccinia virus (VV) |
CHEMBL1122818 |
| Human herpesvirus 2 |
ED50 |
= |
5e-06 |
M |
In vitro antiviral activity was tested against, herpes simplex type 2 virus (HSV-2) |
CHEMBL1122818 |
| ADMET |
Toxic level |
= |
5e-06 |
M |
Toxic level was evaluated |
CHEMBL1122818 |
| L1210 |
ID50 |
= |
2.6e-08 |
M |
In vitro inhibitory effect was tested for cytostatic activity on the growth of murine leukemic L1210 cell lines |
CHEMBL1122818 |
| P388 |
ID50 |
= |
3.2e-08 |
M |
In vitro inhibitory effect was tested for cytostatic activity on the growth of lymphoid neoplasm P388 leukemic cell lines |
CHEMBL1122818 |
| HEp-2 |
IC50 |
= |
30.0 |
nM |
Compound was tested for cytotoxicity against HEp-2 cell lines |
CHEMBL1125297 |
| L1210 |
IC50 |
= |
70.0 |
nM |
Compound was tested for cytotoxicity against L1210 cell lines |
CHEMBL1125297 |
| CCRF-CEM |
IC50 |
= |
3.0 |
nM |
Compound was tested for cytotoxicity against CCRF-CEM cell lines |
CHEMBL1125297 |
| ADMET |
No. of cells |
= |
91.0 |
% |
Percentage of apoptotic cells in human peripheral blood mononuclear cells after 72 hour incubation at the concentration 1 uM |
CHEMBL1130967 |
| ADMET |
No. of cells |
= |
91.2 |
% |
Percentage of apoptotic cells in human peripheral blood mononuclear cells after 72 hour incubation at the concentration 10 uM |
CHEMBL1130967 |
| ADMET |
No. of cells |
= |
93.8 |
% |
Percentage of apoptotic cells in human peripheral blood mononuclear cells after 72 hour incubation at the concentration 30 uM |
CHEMBL1130967 |
| ADMET |
No. of cells |
= |
94.7 |
% |
Percentage of apoptotic cells in human peripheral blood mononuclear cells after 72 hour incubation at the concentration 60 uM |
CHEMBL1130967 |
| Adenosine A1 receptor |
Ki |
= |
7320.0 |
nM |
Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand. |
CHEMBL1128285 |
| Adenosine A2a receptor |
Ki |
= |
20400.0 |
nM |
Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand |
CHEMBL1128285 |
| Adenosine A3 receptor |
Ki |
= |
207000.0 |
nM |
Binding affinity determined by displacement of specific binding of [125I]N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably transfected with the rat adenosine A3 receptor |
CHEMBL1128285 |
| Deoxycytidine kinase |
Kcat |
= |
0.6 |
/s |
Activity of human wild type deoxycytidine kinase in presence of ATP |
CHEMBL1155044 |
| Deoxycytidine kinase |
Km |
= |
78000.0 |
nM |
Activity of human wild type deoxycytidine kinase in presence of ATP |
CHEMBL1155044 |
| Deoxycytidine kinase |
Kcat |
= |
0.37 |
/s |
Activity of human wild type deoxycytidine kinase in presence of UTP |
CHEMBL1155044 |
| Deoxycytidine kinase |
Km |
= |
5100.0 |
nM |
Activity of human wild type deoxycytidine kinase in presence of UTP |
CHEMBL1155044 |
| Deoxycytidine kinase |
Ratio |
= |
0.0077 |
/s/microM |
Ratio of Kcat for human wild type deoxycytidine kinase to Km for human wild type deoxycytidine kinase in presence of ATP |
CHEMBL1155044 |
| Deoxycytidine kinase |
Ratio |
= |
0.0726 |
/s/microM |
Ratio of Kcat for human wild type deoxycytidine kinase to Km for human wild type deoxycytidine kinase in presence of UTP |
CHEMBL1155044 |
| Unchecked |
Kcat |
= |
0.96 |
/s |
Activity of human deoxycytidine kinase C4S mutant in presence of ATP |
CHEMBL1155044 |
| Unchecked |
Km |
= |
54000.0 |
nM |
Activity of human deoxycytidine kinase C4S mutant in presence of ATP |
CHEMBL1155044 |
| Unchecked |
Kcat |
= |
0.41 |
/s |
Activity of human deoxycytidine kinase C4S mutant in presence of UTP |
CHEMBL1155044 |
| Unchecked |
Km |
= |
10800.0 |
nM |
Activity of human deoxycytidine kinase C4S mutant in presence of UTP |
CHEMBL1155044 |
| Unchecked |
Ratio |
= |
0.0178 |
/s/microM |
Ratio of Kcat for human deoxycytidine kinase C4S mutant to Km for deoxycytidine kinase C4S mutant in presence of ATP |
CHEMBL1155044 |
| Unchecked |
Ratio |
= |
0.038 |
/s/microM |
Ratio of Kcat for human deoxycytidine kinase C4S mutant to Km for deoxycytidine kinase C4S mutant in presence of UTP |
CHEMBL1155044 |
| Escherichia coli |
MIC |
> |
100000.0 |
nM |
Antimicrobial activity against Escherichia coli ATCC 25922 after 20 hrs |
CHEMBL1155163 |
| Streptococcus sp. |
MIC |
= |
100000.0 |
nM |
Antimicrobial activity against Streptococcus sp. 07941-1 after 20 hrs |
CHEMBL1155163 |
| Streptococcus sp. |
MIC |
= |
100000.0 |
nM |
Antimicrobial activity against Streptococcus sp. 07706-1 after 20 hrs |
CHEMBL1155163 |
| Streptococcus sp. |
MIC |
= |
100000.0 |
nM |
Antimicrobial activity against Streptococcus sp. 07686-2 after 20 hrs |
CHEMBL1155163 |
| Staphylococcus aureus |
MIC |
> |
100000.0 |
nM |
Antimicrobial activity against Staphylococcus aureus ATCC 29213 after 20 hrs |
CHEMBL1155163 |
| Staphylococcus aureus |
MIC |
> |
100000.0 |
nM |
Antimicrobial activity against Staphylococcus aureus CCM 885 after 20 hrs |
CHEMBL1155163 |
| Streptococcus pyogenes |
MIC |
|
|
|
Antimicrobial activity against Streptococcus pyogenes AP1 after 20 hrs |
CHEMBL1155163 |
| Homo sapiens |
CL |
= |
14.0 |
mL.min-1.kg-1 |
Total body clearance in human |
CHEMBL1151930 |
| Homo sapiens |
CL_renal |
= |
3.92 |
mL.min-1.kg-1 |
Renal clearance in human |
CHEMBL1151930 |
| CCRF-CEM |
Inhibition |
= |
44.77 |
% |
Inhibition of RNA synthesis in human CCRF-CEM assessed as assessed as BrdU incorporation after 24 by flow cytometry |
CHEMBL1156780 |
| CCRF-CEM |
Inhibition |
= |
9.54 |
% |
Inhibition of DNA synthesis in human CCRF-CEM assessed as assessed as BrdU incorporation after 24 by flow cytometry |
CHEMBL1156780 |
| CCRF-CEM |
Activity |
= |
0.44 |
% |
Antimitotic activity in human CCRF-CEM cells assessed as decrease in mitotic histone H3 at 5 x GIC50 |
CHEMBL1156780 |
| CCRF-CEM |
Activity |
= |
0.85 |
% |
Antimitotic activity in human CCRF-CEM cells assessed as decrease in mitotic histone H3 at 1 x GIC50 |
CHEMBL1156780 |
| CCRF-CEM |
Activity |
= |
1.9 |
% |
Cell cycle arrest in human CCRF-CEM assessed as accumulation at G2/M phase at 1 x GIC50 after 24 hrs by flow cytometry |
CHEMBL1156780 |
| CCRF-CEM |
Activity |
= |
46.2 |
% |
Inhibition of DNA synthesis in human CCRF-CEM assessed as assessed as BrdU incorporation at 1 x GIC50 after 24 by flow cytometry |
CHEMBL1156780 |
| CCRF-CEM |
Activity |
= |
61.5 |
% |
Cell cycle arrest in human CCRF-CEM assessed as accumulation at subG1 phase at 5 x GIC50 after 24 hrs by flow cytometry |
CHEMBL1156780 |
| CCRF-CEM |
Activity |
= |
24.9 |
% |
Cell cycle arrest in human CCRF-CEM assessed as accumulation at S phase at 1 x GIC50 after 24 hrs by flow cytometry |
CHEMBL1156780 |
| CCRF-CEM |
Activity |
= |
7.6 |
% |
Cell cycle arrest in human CCRF-CEM assessed as accumulation at G2/M phase at 5 x GIC50 after 24 hrs by flow cytometry |
CHEMBL1156780 |
| CCRF-CEM |
Activity |
= |
13.0 |
% |
Inhibition of RNA synthesis in human CCRF-CEM assessed as assessed as BrdU incorporation at 5 x GIC50 after 24 by flow cytometry |
CHEMBL1156780 |
| CCRF-CEM |
Activity |
= |
73.2 |
% |
Cell cycle arrest in human CCRF-CEM assessed as accumulation at G1 phase at 1 x GIC50 after 24 hrs by flow cytometry |
CHEMBL1156780 |
| CCRF-CEM |
Activity |
= |
48.0 |
% |
Cell cycle arrest in human CCRF-CEM assessed as accumulation at subG1 phase at 1 x GIC50 after 24 hrs by flow cytometry |
CHEMBL1156780 |
| CCRF-CEM |
Activity |
= |
41.3 |
% |
Inhibition of DNA synthesis in human CCRF-CEM assessed as assessed as BrdU incorporation at 5 x GIC50 after 24 by flow cytometry |
CHEMBL1156780 |
| CCRF-CEM |
Activity |
= |
30.8 |
% |
Cell cycle arrest in human CCRF-CEM assessed as accumulation at S phase at 5 x GIC50 after 24 hrs by flow cytometry |
CHEMBL1156780 |
| CCRF-CEM |
Activity |
= |
61.6 |
% |
Cell cycle arrest in human CCRF-CEM assessed as accumulation at G1 phase at 5 x GIC50 after 24 hrs by flow cytometry |
CHEMBL1156780 |
| CCRF-CEM |
Activity |
= |
32.1 |
% |
Inhibition of RNA synthesis in human CCRF-CEM assessed as assessed as BrdU incorporation at 1 x GIC50 after 24 by flow cytometry |
CHEMBL1156780 |
| Unchecked |
Ki |
> |
100000.0 |
nM |
Displacement of [3H]adenine from adenine 1 receptor in rat brain cortical membrane by liquid scintillation counting |
CHEMBL1156038 |
| Unchecked |
Inhibition |
= |
9.0 |
% |
Inhibition of [3H]adenine binding to adenine 1 receptor in rat brain cortical membrane at 100 uM by liquid scintillation counting |
CHEMBL1156038 |
| No relevant target |
LogP |
= |
-0.1 |
|
Octanol-water partition coefficient, log P of the compound |
CHEMBL1157036 |
| Prelamin-A/C |
Potency |
= |
794.3 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Prelamin-A/C |
Potency |
= |
707.9 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Prelamin-A/C |
Potency |
= |
50.1 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Huntingtin |
Potency |
= |
4466.8 |
nM |
PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] |
CHEMBL1201862 |
| Survival motor neuron protein |
Potency |
= |
8912.5 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Survival motor neuron protein |
Potency |
= |
6309.6 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
= |
20596.2 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Lipid Storage Modulators in Drosophila S3 Cells. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Cellular tumor antigen p53 |
Potency |
= |
25118.9 |
nM |
PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] |
CHEMBL1201862 |
| Cellular tumor antigen p53 |
Potency |
= |
12589.3 |
nM |
PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Nuclear receptor ROR-gamma |
Potency |
= |
19952.6 |
nM |
PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
EC50 |
= |
4800.0 |
nM |
PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibitors of 5'UTR Stem-Loop Driven Prion Protein mRNA Translation in H4 Neuroglioblastoma Cells. (Class of assay: confirmatory) [Related pubchem assays: 1827 (Project Summary), 1813 (Primary HTS)] |
CHEMBL1201862 |
| Unchecked |
EC50 |
= |
2958.0 |
nM |
PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of of 5'UTR Stem-Loop Driven Alpha-Synuclein mRNA Translation in H4 Neuroglioblastoma Cells. (Class of assay: confirmatory) [Related pubchem assays: 1827 (Project Summary), 1813 (Primary HTS)] |
CHEMBL1201862 |
| Relaxin receptor 1 |
Potency |
= |
15848.9 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Relaxin receptor 1 |
Potency |
= |
22387.2 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) |
CHEMBL1201862 |
| NON-PROTEIN TARGET |
Fu |
= |
0.79 |
|
Fraction unbound in human after iv administration |
CHEMBL1614632 |
| ADMET |
Vdss |
= |
7.7 |
L.kg-1 |
Volume of distribution at steady state in human after iv administration |
CHEMBL1614632 |
| ADMET |
MRT |
= |
9.2 |
hr |
Mean residence time in human after iv administration |
CHEMBL1614632 |
| ADMET |
CL |
= |
14.0 |
mL.min-1.kg-1 |
Clearance in human after iv administration |
CHEMBL1614632 |
| ADMET |
T1/2 |
= |
16.0 |
hr |
Half life in human after iv administration |
CHEMBL1614632 |
| Hepatotoxicity |
Hepatotoxicity |
|
|
|
Literature-mined public compounds from Greene et al multi-species hepatotoxicity modelling dataset |
CHEMBL1697692 |
| Hepatotoxicity |
Hepatotoxicity |
|
|
|
Human drug-induced liver injury (DILI) modelling dataset from Ekins et al |
CHEMBL1697723 |
| Hepatotoxicity |
Hepatotoxicity |
|
|
|
Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans |
CHEMBL1697731 |
| Hepatotoxicity |
Hepatotoxicity |
|
|
|
Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in rodents |
CHEMBL1697731 |
| Hepatotoxicity |
Hepatotoxicity |
|
|
|
Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in non-rodents |
CHEMBL1697731 |
| Hepatotoxicity |
Composite Activity - Score |
|
|
|
FDA HLAED, liver enzyme composite activity |
CHEMBL1697781 |
| Hepatotoxicity |
Composite Activity - Active |
= |
0.0 |
|
FDA HLAED, liver enzyme composite activity |
CHEMBL1697781 |
| Hepatotoxicity |
Composite Activity - Marginal |
= |
0.0 |
|
FDA HLAED, liver enzyme composite activity |
CHEMBL1697781 |
| Hepatotoxicity |
Alkaline Phosphatase Increase - Activity Score |
|
|
|
FDA HLAED, alkaline phosphatase increase |
CHEMBL1697781 |
| Hepatotoxicity |
Alkaline Phosphatase Increase - Number of Reports |
< |
4.0 |
|
FDA HLAED, alkaline phosphatase increase |
CHEMBL1697781 |
| Hepatotoxicity |
Alkaline Phosphatase Increase - Index Value |
= |
16.2 |
|
FDA HLAED, alkaline phosphatase increase |
CHEMBL1697781 |
| Hepatotoxicity |
SGOT Increase - Activity Score |
|
|
|
FDA HLAED, serum glutamic oxaloacetic transaminase (SGOT) increase |
CHEMBL1697781 |
| Hepatotoxicity |
SGOT Increase - Number of Reports |
< |
4.0 |
|
FDA HLAED, serum glutamic oxaloacetic transaminase (SGOT) increase |
CHEMBL1697781 |
| Hepatotoxicity |
SGOT Increase - Index Value |
= |
16.2 |
|
FDA HLAED, serum glutamic oxaloacetic transaminase (SGOT) increase |
CHEMBL1697781 |
| Hepatotoxicity |
SGPT Increase - Activity Score |
|
|
|
FDA HLAED, serum glutamic pyruvic transaminase (SGPT) increase |
CHEMBL1697781 |
| Hepatotoxicity |
SGPT Increase - Number of Reports |
< |
4.0 |
|
FDA HLAED, serum glutamic pyruvic transaminase (SGPT) increase |
CHEMBL1697781 |
| Hepatotoxicity |
SGPT Increase - Index Value |
= |
16.2 |
|
FDA HLAED, serum glutamic pyruvic transaminase (SGPT) increase |
CHEMBL1697781 |
| Hepatotoxicity |
LDH Increase - Activity Score |
|
|
|
FDA HLAED, lactate dehydrogenase (LDH) increase |
CHEMBL1697781 |
| Hepatotoxicity |
LDH Increase - Index Value |
= |
0.0 |
|
FDA HLAED, lactate dehydrogenase (LDH) increase |
CHEMBL1697781 |
| Hepatotoxicity |
LDH Increase - Number of Reports |
< |
4.0 |
|
FDA HLAED, lactate dehydrogenase (LDH) increase |
CHEMBL1697781 |
| Hepatotoxicity |
GGT Increase - Activity Score |
|
|
|
FDA HLAED, gamma-glutamyl transferase (GGT) increase |
CHEMBL1697781 |
| Hepatotoxicity |
GGT Increase - Number of Reports |
< |
4.0 |
|
FDA HLAED, gamma-glutamyl transferase (GGT) increase |
CHEMBL1697781 |
| Hepatotoxicity |
GGT Increase - Index Value |
= |
8.1 |
|
FDA HLAED, gamma-glutamyl transferase (GGT) increase |
CHEMBL1697781 |
| Unchecked |
AC50 |
= |
240.4 |
nM |
PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Confirm Inhibitors of Cancer Stem Cells. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2717, AID2721] |
CHEMBL1201862 |
| Nuclear factor erythroid 2-related factor 2 |
Potency |
|
13.0 |
nM |
PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] |
CHEMBL1201862 |
| Unchecked |
Potency |
|
8199.5 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of Chronic Active B-Cell Receptor Signaling. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485345, AID485355] |
CHEMBL1201862 |
| Unchecked |
IC50 |
= |
5060.0 |
nM |
PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of both B-cell and T-cell specific antigen receptor-induced NF-kB activation in a 697B cell line using a luminescence assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID435003, AID435022, AID465, AID489029] |
CHEMBL1201862 |
| Unchecked |
IC50 |
> |
80000.0 |
nM |
PUBCHEM_BIOASSAY: Dose response cytotoxicity of uHTS chemical inhibitors of both B-cell and T-cell specific antigen receptor-induced NF-kB activation in a HEK-293T cell line using a luminescence assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID435003, AID435022, AID465, AID489020, AID489029] |
CHEMBL1201862 |
| Unchecked |
IC50 |
= |
18400.0 |
nM |
PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of both B-cell and T-cell specific antigen receptor-induced NF-kB activation in a HEK-293T cell line using a luminescence assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID435003, AID435022, AID465, AID489019, AID489029] |
CHEMBL1201862 |
| K562 |
IC50 |
= |
7690.0 |
nM |
Cytotoxicity against human K562 cells after 3 days by MTT assay |
CHEMBL1811802 |
| K562 |
IC50 |
= |
170.0 |
nM |
Cytotoxicity against human paclitaxel resistant K562 cells after 3 days by MTT assay |
CHEMBL1811802 |
| BV-173 |
IC50 |
= |
0.8 |
nM |
Cytotoxicity against human BV173 cells after 3 days by MTT assay |
CHEMBL1811802 |
| NON-PROTEIN TARGET |
IC50 |
= |
352.0 |
nM |
Cytotoxicity against human CEM-DNR-bulk cells after 3 days by MTT assay |
CHEMBL1811802 |
| L1210 |
IC50 |
= |
393.0 |
nM |
Cytotoxicity against mouse L1210 cells after 3 days by MTT assay |
CHEMBL1811802 |
| EL4 |
IC50 |
= |
848.0 |
nM |
Cytotoxicity against mouse EL4 cells after 3 days by MTT assay |
CHEMBL1811802 |
| MCF7 |
IC50 |
= |
2350.0 |
nM |
Cytotoxicity against human MCF7 cells after 3 days by MTT assay |
CHEMBL1811802 |
| BT-549 |
IC50 |
= |
123.0 |
nM |
Cytotoxicity against human BT549 cells after 3 days by MTT assay |
CHEMBL1811802 |
| MDA-MB-231 |
IC50 |
> |
10000.0 |
nM |
Cytotoxicity against human MDA-MB-231 cells after 3 days by MTT assay |
CHEMBL1811802 |
| SK-N-AS |
IC50 |
> |
10000.0 |
nM |
Cytotoxicity against human SK-N-AS cells after 3 days by MTT assay |
CHEMBL1811802 |
| NON-PROTEIN TARGET |
IC50 |
> |
10000.0 |
nM |
Cytotoxicity against human U87MG cells after 3 days by MTT assay |
CHEMBL1811802 |
| C6 |
IC50 |
= |
9070.0 |
nM |
Cytotoxicity against rat C6 cells after 3 days by MTT assay |
CHEMBL1811802 |
| HT-29 |
IC50 |
= |
9440.0 |
nM |
Cytotoxicity against human HT-29 cells after 3 days by MTT assay |
CHEMBL1811802 |
| HCT-116 |
IC50 |
= |
9430.0 |
nM |
Cytotoxicity against human HCT116 cells after 3 days by MTT assay |
CHEMBL1811802 |
| CT26 |
IC50 |
= |
131.0 |
nM |
Cytotoxicity against mouse CT26 cells after 3 days by MTT assay |
CHEMBL1811802 |
| PC-3 |
IC50 |
= |
8280.0 |
nM |
Cytotoxicity against human PC3 cells after 3 days by MTT assay |
CHEMBL1811802 |
| LNCaP |
IC50 |
> |
10000.0 |
nM |
Cytotoxicity against human LNCAP cells after 3 days by MTT assay |
CHEMBL1811802 |
| MAT-Ly-Lu |
IC50 |
|
|
|
Cytotoxicity against rat MAT-LyLu cells after 3 days by MTT assay |
CHEMBL1811802 |
| NON-PROTEIN TARGET |
IC50 |
> |
10000.0 |
nM |
Cytotoxicity against human NCI-H146 cells after 3 days by MTT assay |
CHEMBL1811802 |
| NON-PROTEIN TARGET |
IC50 |
= |
165.0 |
nM |
Cytotoxicity against human MES-SA cells after 3 days by MTT assay |
CHEMBL1811802 |
| HeLa |
IC50 |
> |
10000.0 |
nM |
Cytotoxicity against human HeLa cells after 3 days by MTT assay |
CHEMBL1811802 |
| SK-OV-3 |
IC50 |
> |
10000.0 |
nM |
Cytotoxicity against human SKOV3 cells after 3 days by MTT assay |
CHEMBL1811802 |
| SK-MEL-2 |
IC50 |
> |
10000.0 |
nM |
Cytotoxicity against human SK-MEL-2 cells after 3 days by MTT assay |
CHEMBL1811802 |
| HPAC |
IC50 |
= |
9320.0 |
nM |
Cytotoxicity against human HPAC cells after 3 days by MTT assay |
CHEMBL1811802 |
| NON-PROTEIN TARGET |
IC50 |
= |
285.0 |
nM |
Cytotoxicity against mouse P388D1 cells after 3 days by MTT assay |
CHEMBL1811802 |
| BJ |
IC50 |
> |
10000.0 |
nM |
Cytotoxicity against human BJ cells after 3 days by MTT assay |
CHEMBL1811802 |
| CCRF-CEM |
IC50 |
= |
0.5 |
nM |
Cytotoxicity against human CCRF-CEM cells after 72 hrs by MTT assay |
CHEMBL1821725 |
| Raji |
IC50 |
= |
9.0 |
nM |
Cytotoxicity against human Raji cells after 72 hrs by MTT assay |
CHEMBL1821725 |
| Androgen Receptor |
Potency |
|
28183.8 |
nM |
PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of androgen receptor signaling. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
AC50 |
= |
317.7 |
nM |
PUBCHEM_BIOASSAY: Dose Response HTS Screen to Identify Cytotoxic Compounds of HMLE_sh_eGFP. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2721] |
CHEMBL1201862 |
| Jurkat |
IC50 |
= |
660.0 |
nM |
PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of both B-cell and T-cell specific antigen receptor-induced NF-kB activation in a Jurkat cell line using a luminescence assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID435003, AID435022, AID465, AID489029] |
CHEMBL1201862 |
| HepG2 |
Potency |
|
35481.3 |
nM |
PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] |
CHEMBL1201862 |
| Unchecked |
Potency |
|
316.2 |
nM |
PUBCHEM_BIOASSAY: qHTS for Inhibitors of Cell Surface uPA Generation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493178] |
CHEMBL1201862 |
| Peroxisome proliferator-activated receptor delta |
Potency |
|
31622.8 |
nM |
PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor delta signaling. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Giardia |
Potency |
|
163.2 |
nM |
PUBCHEM_BIOASSAY: qHTS of small molecules that selectively kill Giardia lamblia: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540272] |
CHEMBL1201862 |
| Mothers against decapentaplegic homolog 3 |
Potency |
|
35481.3 |
nM |
PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] |
CHEMBL1201862 |
| Acetylcholinesterase |
IC50 |
|
|
|
DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine) |
CHEMBL1909046 |
| Acetylcholinesterase |
Ki |
|
|
|
DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine) |
CHEMBL1909046 |
| Adenosine A1 receptor |
IC50 |
|
|
|
DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX) |
CHEMBL1909046 |
| Adenosine A1 receptor |
Ki |
|
|
|
DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX) |
CHEMBL1909046 |
| Adenosine A2a receptor |
IC50 |
|
|
|
DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) |
CHEMBL1909046 |
| Adenosine A2a receptor |
Ki |
|
|
|
DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) |
CHEMBL1909046 |
| Adenosine A3 receptor |
IC50 |
|
|
|
DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) |
CHEMBL1909046 |
| Adenosine A3 receptor |
Ki |
|
|
|
DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine) |
CHEMBL1909046 |
| Alpha-1a adrenergic receptor |
IC50 |
|
|
|
DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) |
CHEMBL1909046 |
| Alpha-1a adrenergic receptor |
Ki |
|
|
|
DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) |
CHEMBL1909046 |
| Alpha-1b adrenergic receptor |
IC50 |
|
|
|
DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) |
CHEMBL1909046 |
| Alpha-1b adrenergic receptor |
Ki |
|
|
|
DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) |
CHEMBL1909046 |
| Alpha-1d adrenergic receptor |
IC50 |
|
|
|
DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) |
CHEMBL1909046 |
| Alpha-1d adrenergic receptor |
Ki |
|
|
|
DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) |
CHEMBL1909046 |
| Alpha-2a adrenergic receptor |
IC50 |
|
|
|
DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) |
CHEMBL1909046 |
| Alpha-2a adrenergic receptor |
Ki |
|
|
|
DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) |
CHEMBL1909046 |
| Alpha-2b adrenergic receptor |
IC50 |
|
|
|
DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) |
CHEMBL1909046 |
| Alpha-2b adrenergic receptor |
Ki |
|
|
|
DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) |
CHEMBL1909046 |
| Alpha-2c adrenergic receptor |
IC50 |
|
|
|
DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) |
CHEMBL1909046 |
| Alpha-2c adrenergic receptor |
Ki |
|
|
|
DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) |
CHEMBL1909046 |
| Beta-1 adrenergic receptor |
IC50 |
|
|
|
DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol) |
CHEMBL1909046 |
| Beta-1 adrenergic receptor |
Ki |
|
|
|
DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol) |
CHEMBL1909046 |
| Beta-2 adrenergic receptor |
IC50 |
|
|
|
DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177) |
CHEMBL1909046 |
| Beta-2 adrenergic receptor |
Ki |
|
|
|
DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177) |
CHEMBL1909046 |
| Beta-3 adrenergic receptor |
IC50 |
|
|
|
DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol) |
CHEMBL1909046 |
| Beta-3 adrenergic receptor |
Ki |
|
|
|
DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol) |
CHEMBL1909046 |
| Norepinephrine transporter |
IC50 |
|
|
|
DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) |
CHEMBL1909046 |
| Norepinephrine transporter |
Ki |
|
|
|
DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) |
CHEMBL1909046 |
| Aldose reductase |
IC50 |
|
|
|
DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde) |
CHEMBL1909046 |
| Aldose reductase |
Ki |
|
|
|
DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde) |
CHEMBL1909046 |
| Angiotensin II type 2 (AT-2) receptor |
IC50 |
|
|
|
DRUGMATRIX: Angiotensin AT2 radioligand binding (ligand: [125I] CGP-42112A) |
CHEMBL1909046 |
| Angiotensin II type 2 (AT-2) receptor |
Ki |
|
|
|
DRUGMATRIX: Angiotensin AT2 radioligand binding (ligand: [125I] CGP-42112A) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Atrial Natriuretic Factor (ANF) radioligand binding (ligand: [125I] ANF (rat)) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Atrial Natriuretic Factor (ANF) radioligand binding (ligand: [125I] ANF (rat)) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: beta-Lactamase enzyme inhibition (substrate: Nitrocefin) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: beta-Lactamase enzyme inhibition (substrate: Nitrocefin) |
CHEMBL1909046 |
| Bradykinin B2 receptor |
IC50 |
|
|
|
DRUGMATRIX: Bradykinin B2 radioligand binding (ligand: [3H] Bradykinin) |
CHEMBL1909046 |
| Bradykinin B2 receptor |
Ki |
|
|
|
DRUGMATRIX: Bradykinin B2 radioligand binding (ligand: [3H] Bradykinin) |
CHEMBL1909046 |
| Calcitonin receptor |
IC50 |
|
|
|
DRUGMATRIX: Calcitonin radioligand binding (ligand: [125I] Calcitonin (salmon)) |
CHEMBL1909046 |
| Calcitonin receptor |
Ki |
|
|
|
DRUGMATRIX: Calcitonin radioligand binding (ligand: [125I] Calcitonin (salmon)) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Calcium Channel Type L, Benzothiazepine radioligand binding (ligand: [3H] Diltiazem) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Calcium Channel Type L, Benzothiazepine radioligand binding (ligand: [3H] Diltiazem) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Calcium Channel Type L, Dihydropyridine radioligand binding (ligand: [3H] Nitrendipine) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Calcium Channel Type L, Dihydropyridine radioligand binding (ligand: [3H] Nitrendipine) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Calcium Channel Type L, Phenylalkylamine radioligand binding (ligand: [3H] (-)-Desmethoxyverapamil (D-888)) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Calcium Channel Type L, Phenylalkylamine radioligand binding (ligand: [3H] (-)-Desmethoxyverapamil (D-888)) |
CHEMBL1909046 |
| Cannabinoid CB1 receptor |
IC50 |
|
|
|
DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A) |
CHEMBL1909046 |
| Cannabinoid CB1 receptor |
Ki |
|
|
|
DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A) |
CHEMBL1909046 |
| Carbonic anhydrase II |
IC50 |
|
|
|
DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA)) |
CHEMBL1909046 |
| Carbonic anhydrase II |
Ki |
|
|
|
DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA)) |
CHEMBL1909046 |
| C-C chemokine receptor type 2 |
IC50 |
|
|
|
DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1) |
CHEMBL1909046 |
| C-C chemokine receptor type 2 |
Ki |
|
|
|
DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1) |
CHEMBL1909046 |
| C-C chemokine receptor type 4 |
IC50 |
|
|
|
DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC) |
CHEMBL1909046 |
| C-C chemokine receptor type 4 |
Ki |
|
|
|
DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC) |
CHEMBL1909046 |
| C-C chemokine receptor type 5 |
IC50 |
|
|
|
DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha) |
CHEMBL1909046 |
| C-C chemokine receptor type 5 |
Ki |
|
|
|
DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha) |
CHEMBL1909046 |
| Interleukin-8 receptor A |
IC50 |
|
|
|
DRUGMATRIX: Chemokine CXCR1 (IL-8A) |
CHEMBL1909046 |
| Interleukin-8 receptor A |
Ki |
|
|
|
DRUGMATRIX: Chemokine CXCR1 (IL-8A) |
CHEMBL1909046 |
| Interleukin-8 receptor B |
IC50 |
|
|
|
DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8) |
CHEMBL1909046 |
| Interleukin-8 receptor B |
Ki |
|
|
|
DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8) |
CHEMBL1909046 |
| Cholecystokinin A receptor |
IC50 |
|
|
|
DRUGMATRIX: Cholecystokinin CCKA radioligand binding (ligand: [3H] L-364,718) |
CHEMBL1909046 |
| Cholecystokinin A receptor |
Ki |
|
|
|
DRUGMATRIX: Cholecystokinin CCKA radioligand binding (ligand: [3H] L-364,718) |
CHEMBL1909046 |
| Cyclooxygenase-1 |
IC50 |
|
|
|
DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) |
CHEMBL1909046 |
| Cyclooxygenase-1 |
Ki |
|
|
|
DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) |
CHEMBL1909046 |
| Cyclooxygenase-2 |
IC50 |
|
|
|
DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) |
CHEMBL1909046 |
| Cyclooxygenase-2 |
Ki |
|
|
|
DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) |
CHEMBL1909046 |
| Cytochrome P450 1A2 |
IC50 |
|
|
|
DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 1A2 |
Ki |
|
|
|
DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2A6 |
IC50 |
|
|
|
DRUGMATRIX: CYP450, 2A6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2A6 |
Ki |
|
|
|
DRUGMATRIX: CYP450, 2A6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2C19 |
IC50 |
|
|
|
DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2C19 |
Ki |
|
|
|
DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2C9 |
IC50 |
|
|
|
DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2C9 |
Ki |
|
|
|
DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2D6 |
IC50 |
|
|
|
DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2D6 |
Ki |
|
|
|
DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2E1 |
IC50 |
|
|
|
DRUGMATRIX: CYP450, 2E1 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2E1 |
Ki |
|
|
|
DRUGMATRIX: CYP450, 2E1 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 3A4 |
IC50 |
|
|
|
DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin) |
CHEMBL1909046 |
| Cytochrome P450 3A4 |
Ki |
|
|
|
DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin) |
CHEMBL1909046 |
| Dopamine D1 receptor |
IC50 |
|
|
|
DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390) |
CHEMBL1909046 |
| Dopamine D1 receptor |
Ki |
|
|
|
DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390) |
CHEMBL1909046 |
| Dopamine D2 receptor |
IC50 |
|
|
|
DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) |
CHEMBL1909046 |
| Dopamine D2 receptor |
Ki |
|
|
|
DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) |
CHEMBL1909046 |
| Dopamine D3 receptor |
IC50 |
|
|
|
DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) |
CHEMBL1909046 |
| Dopamine D3 receptor |
Ki |
|
|
|
DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) |
CHEMBL1909046 |
| Dopamine D4 receptor |
IC50 |
|
|
|
DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone) |
CHEMBL1909046 |
| Dopamine D4 receptor |
Ki |
|
|
|
DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone) |
CHEMBL1909046 |
| Dopamine transporter |
IC50 |
|
|
|
DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) |
CHEMBL1909046 |
| Dopamine transporter |
Ki |
|
|
|
DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) |
CHEMBL1909046 |
| Endothelin receptor ET-A |
IC50 |
|
|
|
DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1) |
CHEMBL1909046 |
| Endothelin receptor ET-A |
Ki |
|
|
|
DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1) |
CHEMBL1909046 |
| Estrogen receptor alpha |
IC50 |
|
|
|
DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) |
CHEMBL1909046 |
| Estrogen receptor alpha |
Ki |
|
|
|
DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) |
CHEMBL1909046 |
| Estrogen receptor beta |
IC50 |
|
|
|
DRUGMATRIX: Estrogen ERbeta radioligand binding (ligand: [3H] Estradiol) |
CHEMBL1909046 |
| Estrogen receptor beta |
Ki |
|
|
|
DRUGMATRIX: Estrogen ERbeta radioligand binding (ligand: [3H] Estradiol) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: GABAA, Muscimol, Central radioligand binding (ligand: [3H] Muscimol) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: GABAA, Muscimol, Central radioligand binding (ligand: [3H] Muscimol) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: GABAA, Flunitrazepam, Central radioligand binding (ligand: [3H] Flunitrazepam) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: GABAA, Flunitrazepam, Central radioligand binding (ligand: [3H] Flunitrazepam) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: GABAA, Chloride Channel, TBOB radioligand binding (ligand: [3H] TBOB) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: GABAA, Chloride Channel, TBOB radioligand binding (ligand: [3H] TBOB) |
CHEMBL1909046 |
| Glucocorticoid receptor |
IC50 |
|
|
|
DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) |
CHEMBL1909046 |
| Glucocorticoid receptor |
Ki |
|
|
|
DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Glutamate, AMPA radioligand binding (ligand: [3H] AMPA) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Glutamate, AMPA radioligand binding (ligand: [3H] AMPA) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Glutamate, Kainate radioligand binding (ligand: [3H] Kainic acid) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Glutamate, Kainate radioligand binding (ligand: [3H] Kainic acid) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Glutamate, NMDA, Agonism radioligand binding (ligand: [3H] CGP-39653) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Glutamate, NMDA, Agonism radioligand binding (ligand: [3H] CGP-39653) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Glutamate, NMDA, Phencyclidine radioligand binding (ligand: [3H] TCP) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Glutamate, NMDA, Phencyclidine radioligand binding (ligand: [3H] TCP) |
CHEMBL1909046 |
| Glycine receptor |
IC50 |
|
|
|
DRUGMATRIX: Glycine, Strychnine-Sensitive radioligand binding (ligand: [3H] Strychnine) |
CHEMBL1909046 |
| Glycine receptor |
Ki |
|
|
|
DRUGMATRIX: Glycine, Strychnine-Sensitive radioligand binding (ligand: [3H] Strychnine) |
CHEMBL1909046 |
| Histamine H1 receptor |
IC50 |
|
|
|
DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine) |
CHEMBL1909046 |
| Histamine H1 receptor |
Ki |
|
|
|
DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine) |
CHEMBL1909046 |
| Histamine H2 receptor |
IC50 |
|
|
|
DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine) |
CHEMBL1909046 |
| Histamine H2 receptor |
Ki |
|
|
|
DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine) |
CHEMBL1909046 |
| HMG-CoA reductase |
IC50 |
|
|
|
DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA) |
CHEMBL1909046 |
| HMG-CoA reductase |
Ki |
|
|
|
DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Imidazoline I2, Central radioligand binding (ligand: [3H] Idazoxan) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Imidazoline I2, Central radioligand binding (ligand: [3H] Idazoxan) |
CHEMBL1909046 |
| Insulin receptor |
IC50 |
|
|
|
DRUGMATRIX: Insulin radioligand binding (ligand: [125I] Insulin) |
CHEMBL1909046 |
| Insulin receptor |
Ki |
|
|
|
DRUGMATRIX: Insulin radioligand binding (ligand: [125I] Insulin) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Interleukin IL-1 radioligand binding (ligand: [125I] interleukin 1beta) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Interleukin IL-1 radioligand binding (ligand: [125I] interleukin 1beta) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Leukotriene, BLT (LTB4) radioligand binding (ligand: [3H]LTB4) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Leukotriene, BLT (LTB4) radioligand binding (ligand: [3H]LTB4) |
CHEMBL1909046 |
| Leukotriene C4 synthase |
IC50 |
|
|
|
DRUGMATRIX: Leukotriene LTC4 Synthase enzyme inhibition (substrate: LTA4) |
CHEMBL1909046 |
| Leukotriene C4 synthase |
Ki |
|
|
|
DRUGMATRIX: Leukotriene LTC4 Synthase enzyme inhibition (substrate: LTA4) |
CHEMBL1909046 |
| Cysteinyl leukotriene receptor 1 |
IC50 |
|
|
|
DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4) |
CHEMBL1909046 |
| Cysteinyl leukotriene receptor 1 |
Ki |
|
|
|
DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4) |
CHEMBL1909046 |
| Arachidonate 15-lipoxygenase |
IC50 |
|
|
|
DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) |
CHEMBL1909046 |
| Arachidonate 15-lipoxygenase |
Ki |
|
|
|
DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) |
CHEMBL1909046 |
| Melanocortin receptor 3 |
IC50 |
|
|
|
DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH) |
CHEMBL1909046 |
| Melanocortin receptor 3 |
Ki |
|
|
|
DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH) |
CHEMBL1909046 |
| Melanocortin receptor 4 |
IC50 |
|
|
|
DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH) |
CHEMBL1909046 |
| Melanocortin receptor 4 |
Ki |
|
|
|
DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH) |
CHEMBL1909046 |
| Melanocortin receptor 5 |
IC50 |
|
|
|
DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH) |
CHEMBL1909046 |
| Melanocortin receptor 5 |
Ki |
|
|
|
DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH) |
CHEMBL1909046 |
| Monoamine oxidase A |
IC50 |
|
|
|
DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine) |
CHEMBL1909046 |
| Monoamine oxidase A |
Ki |
|
|
|
DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M1 |
IC50 |
|
|
|
DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M1 |
Ki |
|
|
|
DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M2 |
IC50 |
|
|
|
DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M2 |
Ki |
|
|
|
DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M3 |
IC50 |
|
|
|
DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M3 |
Ki |
|
|
|
DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M4 |
IC50 |
|
|
|
DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M4 |
Ki |
|
|
|
DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M5 |
IC50 |
|
|
|
DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M5 |
Ki |
|
|
|
DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Neuropeptide Y receptor type 1 |
IC50 |
|
|
|
DRUGMATRIX: Neuropeptide Y Y1 radioligand binding (ligand: [125I] Peptide YY) |
CHEMBL1909046 |
| Neuropeptide Y receptor type 1 |
Ki |
|
|
|
DRUGMATRIX: Neuropeptide Y Y1 radioligand binding (ligand: [125I] Peptide YY) |
CHEMBL1909046 |
| Neuropeptide Y receptor type 2 |
IC50 |
|
|
|
DRUGMATRIX: Neuropeptide Y Y2 radioligand binding (ligand: [125I] Peptide YY) |
CHEMBL1909046 |
| Neuropeptide Y receptor type 2 |
Ki |
|
|
|
DRUGMATRIX: Neuropeptide Y Y2 radioligand binding (ligand: [125I] Peptide YY) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Nicotinic Acetylcholine radioligand binding (ligand: [125I] Epibatidine) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Nicotinic Acetylcholine radioligand binding (ligand: [125I] Epibatidine) |
CHEMBL1909046 |
| Nitric-oxide synthase, brain |
IC50 |
|
|
|
DRUGMATRIX: Nitric Oxide Synthase, Neuronal (nNOS) radioligand binding (ligand: [3H]L-Arginine) |
CHEMBL1909046 |
| Nitric-oxide synthase, brain |
Ki |
|
|
|
DRUGMATRIX: Nitric Oxide Synthase, Neuronal (nNOS) radioligand binding (ligand: [3H]L-Arginine) |
CHEMBL1909046 |
| Nitric oxide synthase, inducible |
IC50 |
|
|
|
DRUGMATRIX: Nitric Oxide Synthase, Inducible (iNOS) enzyme inhibition (substrate: L-Arginine) |
CHEMBL1909046 |
| Nitric oxide synthase, inducible |
Ki |
|
|
|
DRUGMATRIX: Nitric Oxide Synthase, Inducible (iNOS) enzyme inhibition (substrate: L-Arginine) |
CHEMBL1909046 |
| Delta opioid receptor |
IC50 |
|
|
|
DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole) |
CHEMBL1909046 |
| Delta opioid receptor |
Ki |
|
|
|
DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole) |
CHEMBL1909046 |
| Kappa opioid receptor |
IC50 |
|
|
|
DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) |
CHEMBL1909046 |
| Kappa opioid receptor |
Ki |
|
|
|
DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) |
CHEMBL1909046 |
| Mu opioid receptor |
IC50 |
|
|
|
DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) |
CHEMBL1909046 |
| Mu opioid receptor |
Ki |
|
|
|
DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Phorbol Ester radioligand binding (ligand: [3H] PDBu) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Phorbol Ester radioligand binding (ligand: [3H] PDBu) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Phosphodiesterase PDE3 enzyme inhibition (substrate: [3H]cAMP + cAMP) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Phosphodiesterase PDE3 enzyme inhibition (substrate: [3H]cAMP + cAMP) |
CHEMBL1909046 |
| Unchecked |
IC50 |
= |
3625.0 |
nM |
DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP) |
CHEMBL1909046 |
| Phosphodiesterase 5A |
IC50 |
|
|
|
DRUGMATRIX: Phosphodiesterase PDE5 enzyme inhibition (substrate: [3H]cGMP + cGMP) |
CHEMBL1909046 |
| Phosphodiesterase 5A |
Ki |
|
|
|
DRUGMATRIX: Phosphodiesterase PDE5 enzyme inhibition (substrate: [3H]cGMP + cGMP) |
CHEMBL1909046 |
| Platelet activating factor receptor |
IC50 |
|
|
|
DRUGMATRIX: Platelet Activating Factor (PAF) radioligand binding (ligand: [3H] PAF) |
CHEMBL1909046 |
| Platelet activating factor receptor |
Ki |
|
|
|
DRUGMATRIX: Platelet Activating Factor (PAF) radioligand binding (ligand: [3H] PAF) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Platelet-Derived Growth Factor (PDGF) radioligand binding (ligand: [125I] PDGF) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Platelet-Derived Growth Factor (PDGF) radioligand binding (ligand: [125I] PDGF) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Potassium Channel [KATP] radioligand binding (ligand: [3H] Glyburide) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Potassium Channel [KATP] radioligand binding (ligand: [3H] Glyburide) |
CHEMBL1909046 |
| HERG |
IC50 |
|
|
|
DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) |
CHEMBL1909046 |
| HERG |
Ki |
|
|
|
DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) |
CHEMBL1909046 |
| Progesterone receptor |
IC50 |
|
|
|
DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) |
CHEMBL1909046 |
| Progesterone receptor |
Ki |
|
|
|
DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) |
CHEMBL1909046 |
| Angiotensin-converting enzyme |
IC50 |
|
|
|
DRUGMATRIX: Peptidase, Angiotensin Converting Enzyme enzyme inhibition (substrate: FAPGG) |
CHEMBL1909046 |
| Angiotensin-converting enzyme |
Ki |
|
|
|
DRUGMATRIX: Peptidase, Angiotensin Converting Enzyme enzyme inhibition (substrate: FAPGG) |
CHEMBL1909046 |
| Caspase-1 |
IC50 |
|
|
|
DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC) |
CHEMBL1909046 |
| Caspase-1 |
Ki |
|
|
|
DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC) |
CHEMBL1909046 |
| Cathepsin G |
IC50 |
|
|
|
DRUGMATRIX: Protease, Cathepsin G enzyme inhibition (substrate: Suc-Ala-Ala-Pro-Phe-AMC) |
CHEMBL1909046 |
| Cathepsin G |
Ki |
|
|
|
DRUGMATRIX: Protease, Cathepsin G enzyme inhibition (substrate: Suc-Ala-Ala-Pro-Phe-AMC) |
CHEMBL1909046 |
| Leukocyte elastase |
IC50 |
|
|
|
DRUGMATRIX: Peptidase, ELA2 (Neutrophil Elastase 2) enzyme inhibition (substrate: N-MeOSuc-Ala-Ala-Pro-Val-pNA) |
CHEMBL1909046 |
| Leukocyte elastase |
Ki |
|
|
|
DRUGMATRIX: Peptidase, ELA2 (Neutrophil Elastase 2) enzyme inhibition (substrate: N-MeOSuc-Ala-Ala-Pro-Val-pNA) |
CHEMBL1909046 |
| Matrix metalloproteinase-1 |
IC50 |
|
|
|
DRUGMATRIX: Peptidase, Matrix Metalloprotease-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) |
CHEMBL1909046 |
| Matrix metalloproteinase-1 |
Ki |
|
|
|
DRUGMATRIX: Peptidase, Matrix Metalloprotease-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) |
CHEMBL1909046 |
| Matrix metalloproteinase 9 |
IC50 |
|
|
|
DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) |
CHEMBL1909046 |
| Matrix metalloproteinase 9 |
Ki |
|
|
|
DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) |
CHEMBL1909046 |
| Protein kinase C alpha |
IC50 |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase PKCalpha enzyme inhibition (substrate: Histone) |
CHEMBL1909046 |
| Protein kinase C alpha |
Ki |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase PKCalpha enzyme inhibition (substrate: Histone) |
CHEMBL1909046 |
| MAP kinase ERK1 |
IC50 |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein) |
CHEMBL1909046 |
| MAP kinase ERK1 |
Ki |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein) |
CHEMBL1909046 |
| MAP kinase ERK2 |
IC50 |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein) |
CHEMBL1909046 |
| MAP kinase ERK2 |
Ki |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein) |
CHEMBL1909046 |
| MAP kinase p38 alpha |
IC50 |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein) |
CHEMBL1909046 |
| MAP kinase p38 alpha |
Ki |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein) |
CHEMBL1909046 |
| Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform |
IC50 |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Phosphatase, PPP3CA (Calcineurin, PP2B) enzyme inhibition (substrate: DiFMUP) |
CHEMBL1909046 |
| Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform |
Ki |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Phosphatase, PPP3CA (Calcineurin, PP2B) enzyme inhibition (substrate: DiFMUP) |
CHEMBL1909046 |
| Epidermal growth factor receptor erbB1 |
IC50 |
|
|
|
DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr)) |
CHEMBL1909046 |
| Epidermal growth factor receptor erbB1 |
Ki |
|
|
|
DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr)) |
CHEMBL1909046 |
| Tyrosine-protein kinase FYN |
IC50 |
|
|
|
DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr)) |
CHEMBL1909046 |
| Tyrosine-protein kinase FYN |
Ki |
|
|
|
DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr)) |
CHEMBL1909046 |
| Receptor protein-tyrosine kinase erbB-2 |
IC50 |
|
|
|
DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr)) |
CHEMBL1909046 |
| Receptor protein-tyrosine kinase erbB-2 |
Ki |
|
|
|
DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr)) |
CHEMBL1909046 |
| Tyrosine-protein kinase LCK |
IC50 |
|
|
|
DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr)) |
CHEMBL1909046 |
| Tyrosine-protein kinase LCK |
Ki |
|
|
|
DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr)) |
CHEMBL1909046 |
| Leukocyte common antigen |
IC50 |
|
|
|
DRUGMATRIX: Protein Tyrosine Phosphatase, PTPRC (CD45) enzyme inhibition (substrate: DiFMUP) |
CHEMBL1909046 |
| Leukocyte common antigen |
Ki |
|
|
|
DRUGMATRIX: Protein Tyrosine Phosphatase, PTPRC (CD45) enzyme inhibition (substrate: DiFMUP) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Purinergic P2X radioligand binding (ligand: [3H] alpha, beta-Methylene-ATP) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Purinergic P2X radioligand binding (ligand: [3H] alpha, beta-Methylene-ATP) |
CHEMBL1909046 |
| Serotonin 1a (5-HT1a) receptor |
IC50 |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) |
CHEMBL1909046 |
| Serotonin 1a (5-HT1a) receptor |
Ki |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) |
CHEMBL1909046 |
| Serotonin 1b (5-HT1b) receptor |
IC50 |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) |
CHEMBL1909046 |
| Serotonin 1b (5-HT1b) receptor |
Ki |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) |
CHEMBL1909046 |
| Serotonin 2a (5-HT2a) receptor |
IC50 |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) |
CHEMBL1909046 |
| Serotonin 2a (5-HT2a) receptor |
Ki |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) |
CHEMBL1909046 |
| Serotonin 2b (5-HT2b) receptor |
IC50 |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) |
CHEMBL1909046 |
| Serotonin 2b (5-HT2b) receptor |
Ki |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) |
CHEMBL1909046 |
| Serotonin 2c (5-HT2c) receptor |
IC50 |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) |
CHEMBL1909046 |
| Serotonin 2c (5-HT2c) receptor |
Ki |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT3 radioligand binding (ligand: [3H] GR-65630) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT3 radioligand binding (ligand: [3H] GR-65630) |
CHEMBL1909046 |
| Serotonin 4 (5-HT4) receptor |
IC50 |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808) |
CHEMBL1909046 |
| Serotonin 4 (5-HT4) receptor |
Ki |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808) |
CHEMBL1909046 |
| Serotonin 6 (5-HT6) receptor |
IC50 |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) |
CHEMBL1909046 |
| Serotonin 6 (5-HT6) receptor |
Ki |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) |
CHEMBL1909046 |
| Serotonin transporter |
IC50 |
|
|
|
DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) |
CHEMBL1909046 |
| Serotonin transporter |
Ki |
|
|
|
DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) |
CHEMBL1909046 |
| Sigma opioid receptor |
IC50 |
|
|
|
DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) |
CHEMBL1909046 |
| Sigma opioid receptor |
Ki |
|
|
|
DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Sodium Channel, Site 2 radioligand binding (ligand: [3H] Batrachotoxin) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Sodium Channel, Site 2 radioligand binding (ligand: [3H] Batrachotoxin) |
CHEMBL1909046 |
| Neurokinin 1 receptor |
IC50 |
|
|
|
DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P) |
CHEMBL1909046 |
| Neurokinin 1 receptor |
Ki |
|
|
|
DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P) |
CHEMBL1909046 |
| Neurokinin 2 receptor |
IC50 |
|
|
|
DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) |
CHEMBL1909046 |
| Neurokinin 2 receptor |
Ki |
|
|
|
DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) |
CHEMBL1909046 |
| Androgen Receptor |
IC50 |
|
|
|
DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) |
CHEMBL1909046 |
| Androgen Receptor |
Ki |
|
|
|
DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) |
CHEMBL1909046 |
| Thromboxane-A synthase |
IC50 |
|
|
|
DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2) |
CHEMBL1909046 |
| Thromboxane-A synthase |
Ki |
|
|
|
DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Tumor Necrosis Factor (TNF), Non-Selective radioligand binding (ligand: [125I] TNF-alpha) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Tumor Necrosis Factor (TNF), Non-Selective radioligand binding (ligand: [125I] TNF-alpha) |
CHEMBL1909046 |
| Vascular endothelial growth factor receptor 1 |
IC50 |
|
|
|
DRUGMATRIX: Vascular Endothelial Growth Factor (VEGF) radioligand binding (ligand: [125I] VEGF) |
CHEMBL1909046 |
| Vascular endothelial growth factor receptor 1 |
Ki |
|
|
|
DRUGMATRIX: Vascular Endothelial Growth Factor (VEGF) radioligand binding (ligand: [125I] VEGF) |
CHEMBL1909046 |
| Vasoactive intestinal polypeptide receptor 1 |
IC50 |
|
|
|
DRUGMATRIX: Vasoactive Intestinal Peptide VIP1 radioligand binding (ligand: [125I] VIP) |
CHEMBL1909046 |
| Vasoactive intestinal polypeptide receptor 1 |
Ki |
|
|
|
DRUGMATRIX: Vasoactive Intestinal Peptide VIP1 radioligand binding (ligand: [125I] VIP) |
CHEMBL1909046 |
| Vasopressin V1a receptor |
IC50 |
|
|
|
DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr) |
CHEMBL1909046 |
| Vasopressin V1a receptor |
Ki |
|
|
|
DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr) |
CHEMBL1909046 |
| Hepatotoxicity |
HepSE_bilirubinemia |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for bilirubinemia |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_cholecystitis |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholecystitis |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_cholelithiasis |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholelithiasis |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_cirrhosis |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cirrhosis |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_elevated liver function tests |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for elevated liver function tests |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_hepatic failure |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic failure |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_hepatic necrosis |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic necrosis |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_hepatitis |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatitis |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_hepatomegaly |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatomegaly |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_jaundice |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for jaundice |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_liver disease |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver disease |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_liver fatty |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver fatty |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_liver function tests abnormal |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver function tests abnormal |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_Combined Scores |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) combined score |
CHEMBL1909294 |
| Hepatotoxicity |
DILI positive/negative |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) validation dataset; compound DILI positive/negative as observed in Pfizer data |
CHEMBL1909294 |
| Solute carrier family 22 member 1 |
Activity |
|
|
|
TP_TRANSPORTER: uptake in Xenopus laevis oocytes |
CHEMBL2074159 |
| Solute carrier family 22 member 2 |
Activity |
|
|
|
TP_TRANSPORTER: uptake in Xenopus laevis oocytes |
CHEMBL2074159 |
| Geminin |
Potency |
|
1158.2 |
nM |
PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Nuclear factor erythroid 2-related factor 2 |
Potency |
|
21.7 |
nM |
PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Cellular tumor antigen p53 |
Potency |
|
501.2 |
nM |
PubChem BioAssay. qHTS assay for small molecule activators of the p53 signaling pathway. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
679.2 |
nM |
PubChem BioAssay. Cell Proliferation Assay against the HBL1 Cell Line. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
3548.1 |
nM |
PubChem BioAssay. qHTS Assay for Inhibitors of Hepatitis C Virus (HCV). (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
7621.3 |
nM |
PubChem BioAssay. Cell Proliferation Assay against a hMSC Cell Line. (Class of assay: confirmatory) |
CHEMBL1201862 |
| NON-PROTEIN TARGET |
Potency |
|
27041.2 |
nM |
PubChem BioAssay. Cytotoxicity counterscreen for NFkB agonists and antagonists. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Geminin |
Potency |
|
651.3 |
nM |
PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Glucagon-like peptide 1 receptor |
Potency |
|
12589.3 |
nM |
PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
959.5 |
nM |
PubChem BioAssay. Cell Proliferation Assay against the TMD8 Cell Line (Caspase readout at 8 hrs). (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
AC50 |
|
50870.0 |
nM |
PubChem BioAssay. Small molecule inhibitors of miR122 Measured in Cell-Based System Using Plate Reader - 2144-01_Activator_Dose_CherryPick_Activity. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Tyrosyl-DNA phosphodiesterase 1 |
Potency |
|
9.2 |
nM |
PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPT. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
6.5 |
nM |
PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-IDH1KD cell line. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Tyrosyl-DNA phosphodiesterase 1 |
Potency |
|
9.4 |
nM |
PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPT. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Tyrosyl-DNA phosphodiesterase 1 |
Potency |
|
206.0 |
nM |
PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPT. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Tyrosyl-DNA phosphodiesterase 1 |
Potency |
|
7.5 |
nM |
PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPT. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Tyrosyl-DNA phosphodiesterase 1 |
Potency |
|
183.6 |
nM |
PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPT. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Tyrosyl-DNA phosphodiesterase 1 |
Potency |
|
8.2 |
nM |
PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPT. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Isocitrate dehydrogenase [NADP] cytoplasmic |
Potency |
|
366.3 |
nM |
PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) |
CHEMBL1201862 |
| NON-PROTEIN TARGET |
Hepatotoxicity (moderate) |
= |
4.0 |
|
Moderate liver toxicity, defined via clinical-chemistry results: ALT or AST serum activity 6 times the normal upper limit (N) or alkaline phosphatase serum activity of 1.7 N. Value is number of references indexed. [column 'BIOL' in source] |
CHEMBL3137667 |
| NON-PROTEIN TARGET |
Hepatotoxicity (moderate) |
= |
13.0 |
% |
Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (acute) |
= |
2.0 |
|
Acute liver toxicity defined via clinical observations and clear clinical-chemistry results: serum ALT or AST activity > 6 N or serum alkaline phosphatases activity > 1.7 N. This category includes cytolytic, choleostatic and mixed liver toxicity. Value is number of references indexed. [column 'AIGUE' in source] |
CHEMBL3137667 |
| NON-PROTEIN TARGET |
Hepatotoxicity (acute) |
= |
9.1 |
% |
Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (cytolytic) |
= |
1.0 |
|
Cytolytic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is > 5 (see ACUTE). Value is number of references indexed. [column 'CYTOL' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (choleostasis) |
= |
0.0 |
|
Choleostatic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is < 2 (see ACUTE). Value is number of references indexed. [column 'CHOLE' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (severe hepatitis) |
= |
0.0 |
|
Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (chronic liver disease) |
= |
0.0 |
|
Chronic liver disease either proven histopathologically, or through a chonic elevation of serum amino-transferase activity after 6 months. Value is number of references indexed. [column 'CHRON' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (cirrhosis) |
= |
0.0 |
|
Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source] |
CHEMBL3137667 |
| NON-PROTEIN TARGET |
Hepatotoxicity (granulomatous hepatitis) |
= |
0.0 |
|
Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (association with vascular disease) |
= |
1.0 |
|
Liver damage due to vascular disease: peliosis hepatitis, hepatic veno-occlusive disease, Budd-Chiari syndrome. Value is number of references indexed. [column 'VASC' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (steatosis) |
= |
0.0 |
|
Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (malignant tumour) |
= |
0.0 |
|
Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source] |
CHEMBL3137667 |
| NON-PROTEIN TARGET |
Hepatotoxicity (benign tumour) |
= |
0.0 |
|
Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source] |
CHEMBL3137667 |
| NON-PROTEIN TARGET |
Hepatotoxicity (animal toxicity known) |
|
|
|
Animal toxicity known. [column 'TOXIC' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (successful reintroduction) |
|
|
|
Presence of at least one case with successful reintroduction. [column 'REINT' in source] |
CHEMBL3137667 |
| Unchecked |
Hepatotoxicity (comment) |
|
|
|
Comments (NB not yet translated). [column 'COMMENTAIRES' in source] |
CHEMBL3137667 |
| NON-PROTEIN TARGET |
Hepatotoxicity (time to onset) |
|
|
|
Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source] |
CHEMBL3137667 |
| NON-PROTEIN TARGET |
Hepatotoxicity (mechanism) |
|
|
|
Proposed mechanism(s) of liver damage. [column 'MEC' in source] |
CHEMBL3137667 |
| Tyrosine-protein kinase YES |
Potency |
|
79258.6 |
nM |
PubChem BioAssay. qHTS for small molecule inhibitors of Yes1 kinase: Primary Screen. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Rap guanine nucleotide exchange factor 4 |
Potency |
|
39810.7 |
nM |
PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
17782.8 |
nM |
PubChem BioAssay. qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primary qHTS. (Class of assay: confirmatory) |
CHEMBL1201862 |
| NON-PROTEIN TARGET |
AC50 |
= |
9070.0 |
nM |
PubChem BioAssay. Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 2144-02_Inhibitor_Dose_CherryPick_Activity_Set2. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
1778.3 |
nM |
PubChem BioAssay. qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primary qHTS. (Class of assay: confirmatory) |
CHEMBL1201862 |
| NON-PROTEIN TARGET |
Potency |
|
4324.0 |
nM |
PubChem BioAssay. qHTS profiling for inhibitors of Plasmodium falciparum (3D7) proliferation. (Class of assay: confirmatory) |
CHEMBL1201862 |
| NON-PROTEIN TARGET |
Potency |
|
3434.7 |
nM |
PubChem BioAssay. qHTS profiling for inhibitors of Plasmodium falciparum (HB3) proliferation. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Molecular identity unknown |
Potency |
|
7079.5 |
nM |
PubChem BioAssay. qHTS assay for small molecule activators of the human pregnane X receptor (PXR) signaling pathway. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
22387.2 |
nM |
PubChem BioAssay. qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
11220.2 |
nM |
PubChem BioAssay. qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Muscleblind-like protein 1 |
Potency |
|
125.9 |
nM |
PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
4466.8 |
nM |
PubChem BioAssay. qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: Venus Reporter Primary qHTS. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
10000.0 |
nM |
PubChem BioAssay. qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: Venus Reporter Primary qHTS. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Nuclear factor erythroid 2-related factor 2 |
Potency |
|
5804.8 |
nM |
PubChem BioAssay. Nrf2 qHTS screen for inhibitors: Nrf2 A549 ARE-Fluc Confirmation Assay for Hit Validation. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
10000.0 |
nM |
PubChem BioAssay. qHTS for Inhibitors of binding or entry into cells for Marburg Virus. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
14125.4 |
nM |
PubChem BioAssay. qHTS for Inhibitors of binding or entry into cells for Marburg Virus. (Class of assay: confirmatory) |
CHEMBL1201862 |
| NON-PROTEIN TARGET |
Potency |
|
30611.4 |
nM |
PubChem BioAssay. qHTS profiling for inhibitors of Plasmodium falciparum (DD2) proliferation. (Class of assay: confirmatory) |
CHEMBL1201862 |
| T47D |
IC50 |
= |
700.0 |
nM |
Cytotoxicity against human T47D cells after 72 hrs by SRB assay |
CHEMBL3352193 |
| NON-PROTEIN TARGET |
IC50 |
= |
300.0 |
nM |
Cytotoxicity against human HCT116 cells after 72 hrs by SRB assay |
CHEMBL3352193 |
| NON-PROTEIN TARGET |
IC50 |
= |
1800.0 |
nM |
Cytotoxicity against human HuH7 cells after 72 hrs by SRB assay |
CHEMBL3352193 |
| Solute carrier organic anion transporter family member 1B1 |
Activity |
= |
15.9 |
% |
Stimulation of human OATP1B1-mediated [3H]estrone 3-sulfate at 100 uM after 5 mins relative to control |
CHEMBL3407465 |
| Solute carrier organic anion transporter family member 1B3 |
Activity |
= |
10.0 |
% |
Stimulation of human OATP1B3-mediated [3H]CCK-8 at 100 uM after 5 mins relative to control |
CHEMBL3407465 |
| Unchecked |
AC50 |
|
14130.0 |
nM |
PubChem BioAssay. qHTS Assay for Identifying Compounds that block Entry of Ebola Virus, Screen 1 ratio channel. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
AC50 |
|
4466.8 |
nM |
PubChem BioAssay. qHTS Assay for Identifying Compounds that block Entry of Ebola Virus, Screen 1 blue channel. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Ac50 |
|
14.13 |
uM |
PubChem BioAssay. qHTS Assay for Identifying Compounds that block Entry of Ebola Virus: Screen1, ratio channel. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
AC50 |
|
28183.8 |
nM |
PubChem BioAssay. qHTS Assay for Identifying Compounds that block Entry of Ebola Virus, Screen1 green channel. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Ac50 |
|
4.467 |
uM |
PubChem BioAssay. qHTS Assay for Identifying Compounds that block Entry of Ebola Virus: Screen1, blue channel. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Ac50 |
|
28.18 |
uM |
PubChem BioAssay. qHTS Assay for Identifying Compounds that block Entry of Ebola Virus: Screen1, green channel. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
679.2 |
nM |
PubChem BioAssay. Immunotoxin (HA22) sensitization/mitigation study - treatment arm (low dose). (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
48086.9 |
nM |
PubChem BioAssay. Immunotoxin (SS1P) sensitization/mitigation study - treatment arm. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
48086.9 |
nM |
PubChem BioAssay. Immunotoxin (SS1P) sensitization/mitigation study. Vehicle arm (DMEM). (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
1076.5 |
nM |
PubChem BioAssay. Immunotoxin (HA22) sensitization/mitigation study - treatment arm (High Dose). (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
9594.6 |
nM |
PubChem BioAssay. Immunotoxin (HA22) sensitization/mitigation study. Vehicle arm (PBS). (Class of assay: confirmatory) |
CHEMBL1201862 |
| NON-PROTEIN TARGET |
IC50 |
= |
2300.0 |
nM |
Antiproliferative activity against human MOLT3 cells assessed as cell growth inhibition after 48 hrs by MTT assay |
CHEMBL3596105 |
| NON-PROTEIN TARGET |
IC50 |
= |
200.0 |
nM |
Antiproliferative activity against human KG1 cells assessed as cell growth inhibition after 48 hrs by MTT assay |
CHEMBL3596105 |
| K562 |
IC50 |
= |
10000.0 |
nM |
Antiproliferative activity against human K562 cells assessed as cell growth inhibition after 48 hrs by MTT assay |
CHEMBL3596105 |
| NON-PROTEIN TARGET |
IC50 |
= |
6000.0 |
nM |
Antiproliferative activity against human RPMI8226 cells assessed as cell growth inhibition after 48 hrs by MTT assay |
CHEMBL3596105 |
| NON-PROTEIN TARGET |
IC50 |
= |
4000.0 |
nM |
Antiproliferative activity against human SKHEP1 cells assessed as cell growth inhibition after 48 hrs by MTT assay |
CHEMBL3596105 |
| NON-PROTEIN TARGET |
IC50 |
= |
1000.0 |
nM |
Antiproliferative activity against human SK-UT-1B cells assessed as cell growth inhibition after 48 hrs by MTT assay |
CHEMBL3596105 |
| ZR-75-1 |
IC50 |
> |
100000.0 |
nM |
Antiproliferative activity against human ZR-75-1 cells assessed as cell growth inhibition after 48 hrs by MTT assay |
CHEMBL3596105 |
| MCF7 |
IC50 |
= |
45000.0 |
nM |
Antiproliferative activity against human MCF7 cells assessed as cell growth inhibition after 48 hrs by MTT assay |
CHEMBL3596105 |
| Huh-7 |
IC50 |
= |
1800.0 |
nM |
Cytotoxicity against human HuH7 cells assessed as growth inhibition after 72 hrs by SRB assay |
CHEMBL4004857 |
| MCF7 |
IC50 |
= |
2000.0 |
nM |
Cytotoxicity against human MCF7 cells assessed as growth inhibition after 72 hrs by SRB assay |
CHEMBL4004857 |
| HCT-116 |
IC50 |
= |
300.0 |
nM |
Cytotoxicity against human HCT116 cells assessed as growth inhibition after 72 hrs by SRB assay |
CHEMBL4004857 |
| Bile salt export pump |
IC50 |
> |
133000.0 |
nM |
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to 20 mins by membrane vesicle transport assay |
CHEMBL4028801 |
| Canalicular multispecific organic anion transporter 1 |
IC50 |
> |
133000.0 |
nM |
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay |
CHEMBL4028801 |
| Canalicular multispecific organic anion transporter 2 |
IC50 |
> |
133000.0 |
nM |
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 10 mins by membrane vesicle transport assay |
CHEMBL4028801 |
| Multidrug resistance-associated protein 4 |
IC50 |
> |
133000.0 |
nM |
Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay |
CHEMBL4028801 |
| Homo sapiens |
DILI_severity_class |
= |
3.0 |
|
Liver toxicity in human assessed as induction of drug-induced liver injury by measuring severity class index |
CHEMBL4028802 |
| Homo sapiens |
DILI_Concern |
|
|
|
Liver toxicity in human assessed as induction of drug-induced liver injury by measuring verified drug-induced liver injury concern status |
CHEMBL4028802 |
| Phosphodiesterase 2A |
IC50 |
> |
10000.0 |
nM |
Inhibition of recombinant human PDE2A catalytic domain (580 to 919 residues) expressed in Escherichia coli BL21 (Codonplus) using [3H]cGMP as substrate after 15 mins by liquid scintillation counting method |
CHEMBL4177707 |
| Phosphodiesterase 2A |
Inhibition |
= |
7.91 |
% |
Inhibition of recombinant human PDE2A catalytic domain (580 to 919 residues) expressed in Escherichia coli BL21 (Codonplus) at 1 uM using [3H]cGMP as substrate after 15 mins by liquid scintillation counting method relative to control |
CHEMBL4177707 |
| Huh-7 |
IC50 |
= |
400.0 |
nM |
Antiproliferative activity against human HuH7 cells after 72 hrs by SRB assay |
CHEMBL4184126 |
| Unchecked |
IC50 |
= |
400.0 |
nM |
Antiproliferative activity against human FOCUS cells after 72 hrs by SRB assay |
CHEMBL4184126 |
| Mahlavu |
IC50 |
= |
100.0 |
nM |
Antiproliferative activity against human Mahlavu cells after 72 hrs by SRB assay |
CHEMBL4184126 |
| HepG2 |
IC50 |
= |
40.0 |
nM |
Antiproliferative activity against human HepG2 cells after 72 hrs by SRB assay |
CHEMBL4184126 |
| MCF7 |
IC50 |
= |
2000.0 |
nM |
Antiproliferative activity against human MCF7 cells after 72 hrs by SRB assay |
CHEMBL4184126 |
| HCT-116 |
IC50 |
< |
100.0 |
nM |
Antiproliferative activity against human HCT116 cells after 72 hrs by SRB assay |
CHEMBL4184126 |
| SARS-CoV-2 |
Inhibition index |
= |
-0.2792 |
|
Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs |
CHEMBL4303097 |
| SARS-CoV-2 |
Hit score |
= |
0.07801 |
|
Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits) |
CHEMBL4303122 |
| THP-1 |
Ratio IC50 |
= |
1.0 |
|
Ratio of cytotoxic IC50 for human THP1 (+/+) cells expressing wild type SAMHD1 to cytotoxic IC50 for human THP1 cells with CRISP/CAS9 SAMHD1 knockout |
CHEMBL4420068 |
| THP-1 |
Ratio IC50 |
= |
2.0 |
|
Ratio of cytotoxic IC50 for human THP1 cells with constitutively expressing high SAMHD1 expression to cytotoxic IC50 for parental human THP1 cells expressing low SAMHD1 expression |
CHEMBL4420068 |
| Candida albicans |
Inhibition |
= |
1.93 |
% |
Antifungal activity against Candida albicans ATCC 90028 (CO-ADD:FG_001); MIC in YNB media using NBS plates, by OD630 |
CHEMBL4513141 |
| Filobasidiella neoformans |
Inhibition |
= |
-8.92 |
% |
Antifungal activity against Cryptococcus neoformans H99 ATCC 208821 (CO-ADD:FG_002); MIC in YNB media using NBS plates, by Resazurin OD(600-570) |
CHEMBL4513141 |
| Escherichia coli |
Inhibition |
= |
14.09 |
% |
Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CAMBH media using NBS plates, by OD(600) |
CHEMBL4513141 |
| Klebsiella pneumoniae |
Inhibition |
= |
16.3 |
% |
Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); MIC in CAMBH media using NBS plates, by OD(600) |
CHEMBL4513141 |
| Pseudomonas aeruginosa |
Inhibition |
= |
16.28 |
% |
Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 (CO-ADD:GN_042); MIC in CAMBH media using NBS plates, by OD(600) |
CHEMBL4513141 |
| Acinetobacter baumannii |
Inhibition |
= |
27.7 |
% |
Antibacterial activity against Acinetobacter baumannii ATCC 19606 (CO-ADD:GN_034); MIC in CAMBH media using NBS plates, by OD600 |
CHEMBL4513141 |
| Staphylococcus aureus subsp. aureus |
Inhibition |
= |
6.87 |
% |
Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020); MIC in CAMBH media, using NBS plates, by OD(600) |
CHEMBL4513141 |
