| Adenosine A1 receptor |
Ki |
= |
120.0 |
nM |
Inhibition of binding of [3H]N6-cyclohexyladenosine to adenosine A1 receptor of rat whole brain membranes. |
CHEMBL1124694 |
| Adenosine A2 receptor |
Ki |
= |
280.0 |
nM |
Inhibition of binding of [3H]NECA to adenosine A2 receptor of rat striatal membranes. |
CHEMBL1124694 |
| Adenosine receptors; A1 & A2 |
Ratio |
= |
2.4 |
|
Selectivity ratio for A1 receptor to that of A2 receptor in vitro in rat tissues |
CHEMBL1124694 |
| Phosphoglycerate kinase |
IC50 |
= |
1000000.0 |
nM |
evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK) |
CHEMBL1133593 |
| Adenosine A1 receptor |
Ki |
= |
125.0 |
nM |
Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor |
CHEMBL1125020 |
| Adenosine A2 receptor |
Ki |
= |
350.0 |
nM |
Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand |
CHEMBL1125020 |
| Unchecked |
IC50 |
= |
2200.0 |
nM |
Inhibition of Adenylate Cyclase in Rat adipocytes |
CHEMBL1125020 |
| Adenosine A1 receptor |
Ki |
= |
120.0 |
nM |
Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement. |
CHEMBL1123600 |
| Adenosine A2 receptor |
Ki |
= |
280.0 |
nM |
Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide) displacement. |
CHEMBL1123600 |
| Mus musculus |
ED50 |
= |
22.0 |
mg.kg-1 |
Effect on Motor activity in mouse following i.p. administration. |
CHEMBL1123600 |
| Mus musculus |
ED50 |
> |
100.0 |
mg.kg-1 |
Effect on Ataxia in mouse following i.p. administration. |
CHEMBL1123600 |
| Glyceraldehyde-3-phosphate dehydrogenase liver |
Ki |
= |
2800000.0 |
nM |
Inhibition of Leishmania mexicana GAPDH(glyceraldehyde-3-phosphate dehydrogenase) |
CHEMBL1130706 |
| Adenosine A1 receptor |
Ki |
= |
120.0 |
nM |
Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine |
CHEMBL1124304 |
| Adenosine A2 receptor |
Ki |
= |
280.0 |
nM |
Binding affinity towards adenosine A2 receptor on rat striatal membrane using [3H]NECA as radioligand |
CHEMBL1124304 |
| Adenosine A1 receptor |
EC25 |
= |
2300.0 |
nM |
Reduction of heart rate (A1 response) in isolated rat heart preparation |
CHEMBL1124304 |
| Adenosine A2 receptor |
EC25 |
= |
35.0 |
nM |
Enhancement of coronary flow (A2 response) in isolated rat heart preparation |
CHEMBL1124304 |
| Adenosine receptors; A1 & A2 |
Ratio |
= |
2.4 |
|
Ratio of Ki at adenosine A2 and A1 receptors |
CHEMBL1124304 |
| Adenosine A1 receptor |
Affinity constant |
= |
0.2 |
uM |
Affinity constant for inhibition of A1 receptor control of adenylate cyclase in adipocytes, heart and brain cells |
CHEMBL1122012 |
| Adenosine A2 receptor |
Affinity constant |
= |
80.0 |
uM |
Affinity constant for A2 receptor control of adenylate cyclase in adipocytes, heart and brain cells |
CHEMBL1122012 |
| Adenosine receptor |
Affinity constant |
|
|
|
Inhibition of adenyl cyclase via P site in adipocytes; Inactive |
CHEMBL1122012 |
| Adenosine A1 receptor |
Ki |
= |
4450.0 |
nM |
Displacement of [3H]DPCPX from rat cortical membranes Adenosine A1 receptor |
CHEMBL1132635 |
| Adenosine A2a receptor |
Ki |
= |
733.0 |
nM |
Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatal membranes |
CHEMBL1132635 |
| Adenosine A3 receptor |
Ki |
= |
550.0 |
nM |
Binding affinity at human Adenosine A3 receptor expressed in HEK 293 cells by [125I]AB-MECA displacement. |
CHEMBL1132635 |
| Adenosine A3 receptor |
Radioligand bound |
= |
81.0 |
% |
Percentage of [35S]GTP-gamma-S, binding to the human adenosine A3 receptor stimulated at 10E-4 M |
CHEMBL1132635 |
| Adenosine A3 receptor |
EC50 |
= |
384.0 |
nM |
Effective concentration for stimulation of [35S]GTP-gamma-S, binding to human adenosine A3 receptor |
CHEMBL1132635 |
| Adenosine A3 receptor |
Inhibition |
= |
82.0 |
% |
Inhibition of forskolin-stimulated cAMP production mediated by human adenosine A3 receptor expressed in CHO cells at 10 uM |
CHEMBL1132635 |
| Adenosine A3 receptor |
Inhibition |
= |
94.0 |
% |
Inhibition of forskolin-induced c-AMP production by adenosine A3 receptor with 10 uM NECA |
CHEMBL1132635 |
| Glyceraldehyde-3-phosphate dehydrogenase liver |
IC50 |
= |
4200000.0 |
nM |
Inhibitory activity measured for Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) in Leishmania. mexicana |
CHEMBL1131193 |
| Equilibrative nucleoside transporter 1 |
Ki |
= |
203.0 |
nM |
Inhibition of [3H]S-(4-Nitrobenzyl)-6-thioinosine binding to adenosine uptake sites in rat brain membranes |
CHEMBL1127377 |
| Adenosine A3 receptor |
Selectivity ratio |
= |
1.69 |
|
Selectivity for cloned rat A3 receptor |
CHEMBL1127377 |
| NON-PROTEIN TARGET |
ID50 |
= |
4.5e-05 |
M |
Concentration required for 50% growth inhibition of the following cell lines sarcoma S-180 cells |
CHEMBL1121379 |
| L1210 |
ID50 |
= |
8.5e-06 |
M |
Concentration required for 50% growth inhibition of the following cell lines Leukemia L-1210 cells |
CHEMBL1121379 |
| NON-PROTEIN TARGET |
ID50 |
= |
1.4e-05 |
M |
Concentration required for 50% growth inhibition of the following cell lines Carcinoma TA-3 cells |
CHEMBL1121379 |
| Burkitts lymphoma cells |
ID50 |
= |
1.1e-05 |
M |
Concentration required for 50% growth inhibition of the following cell lines human burkitt lymphoma cells |
CHEMBL1121379 |
| NON-PROTEIN TARGET |
ID50 |
= |
4e-06 |
M |
Concentration required for 50% growth inhibition of human breast tumor cells SW-613 human breast adenocarcinoma cells |
CHEMBL1121379 |
| MCF7 |
ID50 |
= |
2.2e-05 |
M |
Concentration required for 50% growth inhibition of human breast tumor cells MCF-7 human breast carcinoma cells |
CHEMBL1121379 |
| Mus musculus |
Life span |
= |
9.7 |
|
Antitumor activity against mouse leukemia, L-1210(DBA/2 Ha Mice) mean life span ( days) of the mouse after the dosage at 1.56 mg/kg of dose per day |
CHEMBL1121379 |
| Mus musculus |
ILS |
= |
41.0 |
% |
Antitumor activity against mouse leukemia, L-1210(DBA/2 Ha Mice) % increase in life span at 3.12 mg/kg of dose per day |
CHEMBL1121379 |
| Mus musculus |
Life span |
= |
38.8 |
|
Antitumor activity against mouse leukemia, L-1210(DBA/2 Ha Mice) mean life span (days) of the mouse after fractionated dosage(dose divided in two halves and administered in two daily injections) at 6.25 mg/kg of dose per day |
CHEMBL1121379 |
| Mus musculus |
Tumor half growth |
= |
20.0 |
|
Antitumor activity against slow growing spontaneous mammary tumors in the DBA/2 Ha-DD mouse number of days reacquired fro tumor growth 3.8 mg/kg/day x 5 melphalan once in 5 days |
CHEMBL1121379 |
| Mus musculus |
ILS |
= |
10.9 |
% |
Antitumor activity against slow growing spontaneous mammary tumors in the DBA/2 Ha-DD mouse % increased in life span 3.8 mg/kg/day x 5 melphalan + 50 mg/kg/day compound |
CHEMBL1121379 |
| Mus musculus |
Life span |
= |
62.6 |
|
Antitumor activity against slow growing spontaneous mammary tumors in the DBA/2 Ha-DD mouse mean life span in days at 50 mg/kg give 5 times once in 5 days |
CHEMBL1121379 |
| Mus musculus |
Tumor half growth |
= |
21.0 |
|
Antitumor activity against slow growing spontaneous mammary tumors in the DBA/2 Ha-DD mouse number of days reacquired fro tumor growth 3.8 mg/kg/day x 5 melphalan once in 5 days |
CHEMBL1121379 |
| Mus musculus |
ILS |
= |
26.0 |
% |
Antitumor activity against slow growing spontaneous mammary tumors in the DBA/2 Ha-DD mouse % increased in life span 3.8 mg/kg/day x 5 melphalan + 50 mg/kg/day compound |
CHEMBL1121379 |
| Adenosine A1 receptor |
IC50 |
= |
125.89 |
nM |
Evaluated for binding affinity against Adenosine A1 receptor |
CHEMBL1126162 |
| Adenosine A1 receptor |
Ki |
= |
120.0 |
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 |
= |
285.0 |
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 |
= |
120.0 |
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 |
| ADMET |
k' |
= |
1.21 |
|
Index of hydrophobicity (k') |
CHEMBL1123294 |
| Adenosine A2 receptor |
pka |
= |
3.07 |
|
Acidic dissociation constant(pKa) against A2 adenosine receptor of coronary artery |
CHEMBL1123294 |
| Adenosine A2 receptor |
MPR |
= |
0.52 |
|
Molar potency ratio (MPR) against adenosine A2 receptor of canine coronary artery |
CHEMBL1123294 |
| Histidine kinase |
Activity |
= |
2.53 |
% |
Activation of Arabidopsis thaliana AHK3 cytokinin receptor relative to trans-zeatin |
CHEMBL1143049 |
| Histidine kinase |
Activity |
= |
0.35 |
% |
Activation of Arabidopsis thaliana CRE1/AHK4 cytokinin receptor relative to trans-zeatin |
CHEMBL1143049 |
| HOS |
IC50 |
> |
166700.0 |
nM |
Antitumor activity against human HOS cells after 72 hrs by Calcein AM assay |
CHEMBL1143049 |
| K562 |
IC50 |
= |
5500.0 |
nM |
Antitumor activity against human K562 cells after 72 hrs by Calcein AM assay |
CHEMBL1143049 |
| CCRF-CEM |
IC50 |
= |
1400.0 |
nM |
Antitumor activity against human CEM cells after 72 hrs by Calcein AM assay |
CHEMBL1143049 |
| HL-60 |
IC50 |
= |
940.0 |
nM |
Antitumor activity against human HL60 cells after 72 hrs by Calcein AM assay |
CHEMBL1143049 |
| G-361 |
IC50 |
> |
166700.0 |
nM |
Antitumor activity against human G361 cells after 72 hrs by Calcein AM assay |
CHEMBL1143049 |
| B16 |
IC50 |
> |
166700.0 |
nM |
Antitumor activity against mouse B16 cells after 72 hrs by Calcein AM assay |
CHEMBL1143049 |
| ADMET |
IC50 |
= |
39000.0 |
nM |
Cytotoxicity against mouse NIH 3T3 cells after 72 hrs by Calcein AM assay |
CHEMBL1143049 |
| NON-PROTEIN TARGET |
IC50 |
= |
5400.0 |
nM |
Antitumor activity against human MCF cells after 72 hrs by Calcein AM assay |
CHEMBL1143049 |
| Equilibrative nucleoside transporter 1 |
IC50 |
= |
10715.19 |
nM |
Binding affinity to ENT1 transporter |
CHEMBL1145549 |
| Adenosine A2b receptor |
logEC50 |
= |
-4.799 |
|
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclase |
CHEMBL1145544 |
| Adenosine A2b receptor |
Activity |
= |
-1.491 |
|
Agonist activity human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclase relative to NECA |
CHEMBL1145544 |
| K562 |
GI50 |
= |
4600.0 |
nM |
Antitumor activity against human K562 cells after 48 hrs by MTS assay |
CHEMBL1155110 |
| Caco-2 |
GI50 |
= |
7400.0 |
nM |
Antitumor activity against human CaCo2 cells after 48 hrs by MTS assay |
CHEMBL1155110 |
| HT-29 |
GI50 |
= |
22300.0 |
nM |
Antitumor activity against human HT29 cells after 48 hrs by MTS assay |
CHEMBL1155110 |
| MCF7 |
GI50 |
= |
61000.0 |
nM |
Antitumor activity against human MCF7 cells after 48 hrs by MTS assay |
CHEMBL1155110 |
| Adenosine A3 receptor |
Ki |
= |
41.3 |
nM |
Inhibition of human adenosine A3 receptor |
CHEMBL1155110 |
| K562 |
GI50 |
= |
3910.0 |
nM |
Growth inhibition of 0.1 uM 1,4-dihydro-2-methyl-6-phenyl-4-(phenylethyl)-3,5-pyridine-dicarboxylic acid 3-ethyl-5-[(3-nitrophenyl) methyl] ester pretreated human K562 cells after 48 hrs by MTS assay |
CHEMBL1155110 |
| K562 |
GI50 |
= |
4170.0 |
nM |
Growth inhibition of 1 uM 1,4-dihydro-2-methyl-6-phenyl-4-(phenylethyl)-3,5-pyridine-dicarboxylic acid 3-ethyl-5-[(3-nitrophenyl) methyl] ester pretreated human K562 cells after 48 hrs by MTS assay |
CHEMBL1155110 |
| K562 |
GI50 |
= |
2920.0 |
nM |
Growth inhibition of 0.1 uM 1,4-dihydro-2-methyl-6-phenyl-4-(phenylethyl)-3,5-pyridine-dicarboxylic acid 3-ethyl-5-[(3-nitrophenyl) methyl] ester pretreated human K562 cells after 72 hrs by MTS assay |
CHEMBL1155110 |
| K562 |
GI50 |
= |
2920.0 |
nM |
Growth inhibition of 1 uM 1,4-dihydro-2-methyl-6-phenyl-4-(phenylethyl)-3,5-pyridine-dicarboxylic acid 3-ethyl-5-[(3-nitrophenyl) methyl] ester pretreated human K562 cells after 72 hrs by MTS assay |
CHEMBL1155110 |
| T-24 |
Activity |
|
|
|
Cytotoxicity against human T24 cells at 10 uM after 72 hrs by MTT assay |
CHEMBL1287719 |
| J82 |
Activity |
|
|
|
Cytotoxicity against human J82 cells at 10 uM after 72 hrs by MTT assay |
CHEMBL1287719 |
| Caco-2 |
Activity |
|
|
|
Cytotoxicity against human Caco-2 cells at 10 uM after 72 hrs by MTT assay |
CHEMBL1287719 |
| MDA-MB-231 |
Activity |
|
|
|
Cytotoxicity against human MDA-MB-231 cells at 10 uM after 72 hrs by MTT assay |
CHEMBL1287719 |
| T-24 |
Activity |
|
|
|
Cytotoxicity against human T24 cells assessed as inhibition of clones formation at 10 uM after 1 week by clonogenic assay |
CHEMBL1287719 |
| T-24 |
Activity |
|
|
|
Growth inhibition of human T24 cells assessed as reduction of cell count after trypsinization at 10 uM after 72 hrs by MTT assay |
CHEMBL1287719 |
| T-24 |
Inhibition |
|
|
% |
Inhibition of human T24 cells invasion on Matrigel after 24 hrs |
CHEMBL1287719 |
| Matrix metalloproteinase 9 |
Activity |
|
|
|
Induction of MMP9 activity in human T24 cells after 1 hr by zymography |
CHEMBL1287719 |
| T-24 |
Activity |
|
|
|
Inhibition of human T24 cell migration by wound healing assay |
CHEMBL1287719 |
| Tyrosyl-DNA phosphodiesterase 1 |
Potency |
= |
1000.0 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) |
CHEMBL1201862 |
| Cellular tumor antigen p53 |
Potency |
= |
10000.0 |
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 |
| Cellular tumor antigen p53 |
Potency |
= |
6309.6 |
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 |
| DNA dC->dU-editing enzyme APOBEC-3G |
Potency |
|
23715.0 |
nM |
PUBCHEM_BIOASSAY: qHTS for inhibitors of Vif-A3G interactions: Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588444] |
CHEMBL1201862 |
| 78 kDa glucose-regulated protein |
Potency |
|
19952.6 |
nM |
PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Adenosine kinase |
IC50 |
= |
794328.23 |
nM |
Inhibition of Toxoplasma gondii adenosine kinase |
CHEMBL3045254 |
| Tyrosyl-DNA phosphodiesterase 1 |
Potency |
|
1883.7 |
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 |
|
2660.9 |
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 |
| Unchecked |
Potency |
|
11220.2 |
nM |
PubChem BioAssay. qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
28183.8 |
nM |
PubChem BioAssay. qHTS for Inhibitors of binding or entry into cells for Marburg Virus. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Platelet |
IC50 |
= |
37120.0 |
nM |
Inhibition of collagen-induced human platelet aggregation after 3 mins by light transmission aggregometry |
CHEMBL3351821 |
| Human enterovirus 71 |
EC50 |
= |
280.0 |
nM |
Antiviral activity against Enterovirus 71 infected in human RD cells assessed as cell viability after 3 days by MTS assay |
CHEMBL3792372 |
| RD |
CC50 |
= |
4000.0 |
nM |
Cytotoxicity against human RD cells |
CHEMBL3792372 |
| Unchecked |
Ratio CC50/EC50 |
= |
14.0 |
|
Selectivity index, ratio of CC50 for human RD cells to EC50 for Enterovirus 71 |
CHEMBL3792372 |
| Tick-borne encephalitis virus |
Inhibition |
|
|
% |
Antiviral activity against TEBV Absettarov infected in PEK cells assessed as inhibition of viral reproduction at 50 uM preincubated with virus for 1 hr followed by addition to PEK cells measured after 1 hr by gentian violet staining based plaque reduction assay relative to control |
CHEMBL3994636 |
| Tick-borne encephalitis virus |
EC50 |
> |
50000.0 |
nM |
Antiviral activity against TEBV Absettarov infected in PEK cells assessed as inhibition of viral reproduction preincubated with virus for 1 hr followed by addition to PEK cells measured after 1 hr by gentian violet staining based plaque reduction assay |
CHEMBL3994636 |
| Unchecked |
CC50 |
> |
50000.0 |
nM |
Cytotoxicity against PEK cells after 24 hrs |
CHEMBL3994636 |
| Unchecked |
CC50 |
> |
50000.0 |
nM |
Cytotoxicity against PEK cells after 7 days |
CHEMBL3994636 |
| Stimulator of interferon genes protein |
Activity |
|
|
|
Activation of human STING expressed in monocytes co-expressing IFN assessed as alkaline phosphatase secretion by SEAP reporter gene assay |
CHEMBL4602626 |
