| Adenosine A1 receptor |
Ki |
= |
9.3 |
nM |
Inhibition of binding of [3H]N6-cyclohexyladenosine to adenosine A1 receptor of rat whole brain membranes. |
CHEMBL1124694 |
| Adenosine A2 receptor |
Ki |
= |
63.0 |
nM |
Inhibition of binding of [3H]NECA to adenosine A2 receptor of rat striatal membranes. |
CHEMBL1124694 |
| Adenosine receptors; A1 & A2 |
Ratio |
= |
6.8 |
|
Selectivity ratio for A1 receptor to that of A2 receptor in vitro in rat tissues |
CHEMBL1124694 |
| Rattus norvegicus |
IC50 |
= |
620.0 |
nM |
In vitro inhibition of synaptic potential in the hippocampal formation (synaptic responses (fEPSPs) recorded in the CAI region of in vivo hippocampal slices in rat brain) |
CHEMBL1125345 |
| Adenosine A1 receptor |
Ki |
= |
9.3 |
nM |
Inhibition of [3H]PIA binding to rat cortical adenosine A1 receptor |
CHEMBL1125345 |
| Adenosine A1 receptor |
Ki |
= |
6.7 |
nM |
Binding affinity towards adenosine A1 receptor in rat brain cortex |
CHEMBL1134790 |
| Adenosine A2a receptor |
Ki |
= |
76.0 |
nM |
Binding affinity towards adenosine A2A receptor in rat brain striatum |
CHEMBL1134790 |
| Adenosine A1 receptor |
Ki |
= |
6.7 |
nM |
Binding affinity towards adenosine A1 receptor in rat brain cortex |
CHEMBL1134790 |
| Adenosine A2a receptor |
Ki |
= |
76.0 |
nM |
Binding affinity towards adenosine A2A receptor in rat brain striatum |
CHEMBL1134790 |
| Adenosine A1 receptor |
Affinity constant |
= |
0.01 |
uM |
Affinity constant for inhibition of A1 receptor control of adenylate cyclase in adipocytes, heart and brain cells |
CHEMBL1122012 |
| Adenosine A2 receptor |
Affinity constant |
= |
5.0 |
uM |
Affinity constant for A2 receptor control of adenylate cyclase in adipocytes, heart and brain cells; 5-10 uM |
CHEMBL1122012 |
| Adenosine receptor |
Affinity constant |
|
|
|
Inhibition of adenyl cyclase via P site in adipocytes; Inactive |
CHEMBL1122012 |
| Adenosine A2a receptor |
Ki |
= |
8.0 |
nM |
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain |
CHEMBL1122012 |
| Adenosine A1 receptor |
Ki |
= |
25.0 |
nM |
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to bovine brain |
CHEMBL1122012 |
| Adenosine receptor |
Ki |
= |
920.0 |
nM |
Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat brain |
CHEMBL1122012 |
| Adenosine receptor |
Ki |
= |
9.0 |
nM |
Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat fat |
CHEMBL1122012 |
| Adenosine receptor |
Ki |
= |
1.3 |
nM |
Antagonist binding of 2-chloro-[3H]-adenosine in rat brain |
CHEMBL1122012 |
| Adenosine receptor |
Ki |
= |
10.0 |
nM |
Antagonist binding of 2-chloro-[3H]-adenosine to rat brain |
CHEMBL1122012 |
| Adenosine A1 receptor |
Ki |
= |
9.3 |
nM |
Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine |
CHEMBL1124304 |
| Adenosine A2 receptor |
Ki |
= |
63.0 |
nM |
Binding affinity towards adenosine A2 receptor on rat striatal membrane using [3H]NECA as radioligand |
CHEMBL1124304 |
| Adenosine A1 receptor |
EC25 |
= |
170.0 |
nM |
Reduction of heart rate (A1 response) in isolated rat heart preparation |
CHEMBL1124304 |
| Adenosine A2 receptor |
EC25 |
= |
13.0 |
nM |
Enhancement of coronary flow (A2 response) in isolated rat heart preparation |
CHEMBL1124304 |
| Adenosine receptors; A1 & A2 |
Ratio |
= |
6.8 |
|
Ratio of Ki at adenosine A2 and A1 receptors |
CHEMBL1124304 |
| Sodium channel alpha subunits; brain (Types I, II, III) |
Inhibition |
= |
1.3 |
% |
Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex at 10 uM |
CHEMBL1122963 |
| Sodium channel alpha subunits; brain (Types I, II, III) |
Inhibition |
= |
3.5 |
% |
Inhibition of binding of Batrachotoxinin [3H]BTX-B to high-affinity sites on voltage-dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex at 100 uM |
CHEMBL1122963 |
| Adenosine A1 receptor |
Ki |
= |
9.3 |
nM |
Tested for the binding affinity of A1 receptor by displacing the [3H]-PIA in rat brain membranes |
CHEMBL1127377 |
| Adenosine A2a receptor |
Ki |
= |
63.0 |
nM |
Tested for the binding affinity of A2a receptor by displacing the [3H]-CGS- 21680 in rat striatal membranes |
CHEMBL1127377 |
| Adenosine A3 receptor |
Ki |
= |
1890.0 |
nM |
Tested for the binding affinity of A3 receptor by displacing N6-[[125I]-4-amino-3-iodobenzyl]-adenosine-5''-N-methyluronamide from membranes of CHO cells transfected with rat A3-cDNA |
CHEMBL1127377 |
| Adenosine receptors; A1 & A3 |
Ratio |
= |
0.0049 |
|
Ratio of Ki for A1 and A3 receptors |
CHEMBL1127377 |
| Adenosine receptor A2a and A3 |
Ratio |
= |
0.033 |
|
Ratio of Ki for A2a and A3 receptors |
CHEMBL1127377 |
| Adenosine A1 receptor |
Ki |
= |
9.3 |
nM |
Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand |
CHEMBL1125572 |
| Adenosine A2 receptor |
Ratio |
= |
63.0 |
nM |
Binding affinity against adenosine A2 receptor using [3H]- NECA as radioligand |
CHEMBL1125572 |
| Adenosine receptors; A1 & A2 |
Ratio |
= |
6.8 |
|
Ratio of A2 to A1. |
CHEMBL1125572 |
| Adenosine A1 receptor |
Ki |
= |
20.2 |
nM |
Inhibitory activity at Adenosine A1 receptor by inhibition of [3H]CHA binding to bovine brain cortical membranes. |
CHEMBL1131221 |
| Adenosine A2a receptor |
Ki |
= |
120.0 |
nM |
Inhibitory activity at Adenosine A2A receptor by inhibition of [3H]-CGS- 21680 binding to bovine striatal membranes. |
CHEMBL1131221 |
| Adenosine A3 receptor |
Ki |
= |
3200.0 |
nM |
Inhibitory activity against Adenosine A3 receptor by inhibiting specific [3H](R)-PIA binding to rat testis membranes |
CHEMBL1131221 |
| Unchecked |
Selectivity |
= |
5.9 |
|
Inhibitory selectivity at Adenosine 2A receptor compared to Adenosine 1 receptor. |
CHEMBL1131221 |
| Unchecked |
Selectivity |
= |
158.4 |
|
Inhibitory selectivity at Adenosine A3 receptor compared to Adenosine 1 receptor. |
CHEMBL1131221 |
| Unchecked |
Selectivity |
= |
26.6 |
|
Inhibitory selectivity at Adenosine A3 receptor compared to Adenosine 2A receptor. |
CHEMBL1131221 |
| Adenosine A3 receptor |
EC50 |
= |
1630.0 |
nM |
Effect on forskolin-stimulated cyclic AMP production in intact chinese hamster ovary (CHO) cell expressing the human Adenosine A3 receptor |
CHEMBL1135592 |
| Adenosine A3 receptor |
Efficacy |
= |
100.0 |
% |
Percent efficacy against human Adenosine A3 receptor expressed in CHO cell |
CHEMBL1135592 |
| Adenosine A3 receptor |
Ki |
= |
87.0 |
nM |
Affinity for human Adenosine A3 receptor expressed in CHO cell |
CHEMBL1135592 |
| Adenosine A2a receptor |
EC50 |
= |
8000.0 |
nM |
Antagonism of cyclic [3H]AMP accumulation elicited by 15 uM 2-chloroadenosine in [3H]adenine-labeled guinea pig cerebral cortical slices at A2 receptor |
CHEMBL1123072 |
| HEp-2 |
IC50 |
= |
3000.0 |
nM |
Compound was tested for cytotoxicity against HEp-2 cell lines |
CHEMBL1125297 |
| L1210 |
IC50 |
< |
3000.0 |
nM |
Compound was tested for cytotoxicity against L1210 cell lines |
CHEMBL1125297 |
| CCRF-CEM |
IC50 |
= |
10000.0 |
nM |
Compound was tested for cytotoxicity against CCRF-CEM cell lines |
CHEMBL1125297 |
| Adenosine A1 receptor |
Ki |
= |
6.7 |
nM |
Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor |
CHEMBL1125222 |
| Adenosine A2a receptor |
Ki |
= |
76.0 |
nM |
Inhibition of [3H]- NECA binding to adenosine receptor A2A |
CHEMBL1125222 |
| Unchecked |
IC50 |
= |
460.0 |
nM |
Concentration required to increase Adenosine A2A receptor mediated P12 Adenylate cyclase activity |
CHEMBL1125222 |
| Adenosine receptors; A1 & A2a |
Ratio |
= |
1.1 |
|
Ratio of binding potencies at Adenosine A2A receptor and Adenosine A1A receptor |
CHEMBL1125222 |
| Adenosine A3 receptor |
Ki |
= |
650.0 |
nM |
Binding affinity at wild-type Adenosine A3 receptor expressed in COS-7 cells |
CHEMBL1134644 |
| Adenosine A3 receptor |
Ki |
= |
11600.0 |
nM |
Binding affinity at Mutant (H272E) human adenosine A3 receptor expressed in COS-7 cells |
CHEMBL1134644 |
| Adenosine A1 receptor |
IC50 |
= |
37.0 |
nM |
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor |
CHEMBL1125861 |
| Adenosine A2 receptor |
IC50 |
= |
160.0 |
nM |
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor |
CHEMBL1125861 |
| Rattus norvegicus |
ED25 |
= |
0.015 |
mg kg-1 |
25% reduction in blood pressure in the rat. |
CHEMBL1125861 |
| Rattus norvegicus |
Delta HR |
= |
-25.0 |
% |
Change in heart rate was expressed in percent at at a dose 0.017 mg/kg iv in anesthetized rat |
CHEMBL1125861 |
| Adenosine receptors; A1 & A2 |
Ratio |
= |
0.23 |
|
Ratio of IC50 values for A1 receptor binding to that of A2 receptor |
CHEMBL1125861 |
| ADMET |
No. of cells |
= |
8.8 |
% |
Percentage of apoptotic cells in human peripheral blood mononuclear cells after 72 hour incubation at the concentration 1 uM |
CHEMBL1130967 |
| ADMET |
No. of cells |
= |
41.8 |
% |
Percentage of apoptotic cells in human peripheral blood mononuclear cells after 72 hour incubation at the concentration 10 uM |
CHEMBL1130967 |
| ADMET |
No. of cells |
= |
82.7 |
% |
Percentage of apoptotic cells in human peripheral blood mononuclear cells after 72 hour incubation at the concentration 30 uM |
CHEMBL1130967 |
| ADMET |
No. of cells |
= |
91.9 |
% |
Percentage of apoptotic cells in human peripheral blood mononuclear cells after 72 hour incubation at the concentration 60 uM |
CHEMBL1130967 |
| Adenosine A1 receptor |
EC50 |
= |
190.55 |
nM |
Prolongation of the stimulus-QRS interval by 50% of the maximum response at the adenosine A1 receptor in langendorff guinea pig heart preparation |
CHEMBL1125661 |
| Adenosine A2 receptor |
EC50 |
= |
25.12 |
nM |
Coronary arteries vasodilation at the adenosine A2 receptor in langendorff guinea pig heart preparation |
CHEMBL1125661 |
| Adenosine receptors; A1 & A2 |
Ratio |
= |
9.1 |
|
Ratio of EC50 stim-QRS (conduction block) and EC50 for vasodilation of coronary arteries |
CHEMBL1125661 |
| Adenosine A1 receptor |
Ki |
= |
9.3 |
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 |
= |
63.0 |
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 |
= |
1890.0 |
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 |
| Adenosine A1 receptor |
Ki |
= |
8.74 |
nM |
Displacement of [3H]CHA from adenosine A1 receptor of rat whole brain |
CHEMBL1122939 |
| Adenosine A2 receptor |
Ki |
= |
63.1 |
nM |
Displacement of [3H]-NECA from adenosine A2 receptor of rat striatal membrane |
CHEMBL1122939 |
| Adenosine receptors; A1 & A2 |
Ratio |
= |
7.22 |
|
Relative binding to A2 and A1 receptors (ratio of Ki) |
CHEMBL1122939 |
| K562 |
IC50 |
= |
15400.0 |
nM |
In vitro inhibitory activity against human myelogenous leukemia K562 cell line |
CHEMBL1140342 |
| K562 |
IC50 |
= |
19500.0 |
nM |
In vitro inhibitory activity against human leukemia K562IU cell line |
CHEMBL1140342 |
| HT-29 |
IC50 |
= |
85600.0 |
nM |
In vitro inhibitory activity against human colon carcinoma HT-29 cell line |
CHEMBL1140342 |
| MCF7 |
IC50 |
= |
72600.0 |
nM |
In vitro inhibitory activity against human breast carcinoma MCF-7 cell line |
CHEMBL1140342 |
| Adenosine A2b receptor |
logEC50 |
= |
-3.724 |
|
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclase |
CHEMBL1145544 |
| Adenosine A2b receptor |
Activity |
= |
-0.889 |
|
Agonist activity human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclase relative to NECA |
CHEMBL1145544 |
| Adenosine A1 receptor |
Ki |
= |
18.4 |
nM |
Displacement of [3H]CPX from adenosine A1 receptor |
CHEMBL1147348 |
| Adenosine A1 receptor |
Activity |
= |
90.0 |
% |
Displacement of [3H]CPX from adenosine A1 receptor assessed as specific binding relative to total binding |
CHEMBL1147348 |
| Adenosine A2b receptor |
Ki |
= |
21400.0 |
nM |
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
CHEMBL1137016 |
| Adenosine A2b receptor |
Ki |
= |
25500.0 |
nM |
Displacement of [125I]I-ABOPX from human recombinant adenosine A2B receptor expressed in HEK293 cells |
CHEMBL1137016 |
| 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 |
= |
1.0 |
% |
Inhibition of [3H]adenine binding to adenine 1 receptor in rat brain cortical membrane at 100 uM by liquid scintillation counting |
CHEMBL1156038 |
| Unchecked |
Inhibition |
|
|
% |
Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay |
CHEMBL1255231 |
| Plasmodium falciparum |
IC50 |
= |
7943.28 |
nM |
Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay |
CHEMBL1255382 |
| Plasmodium falciparum |
IC50 |
= |
10000.0 |
nM |
Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay |
CHEMBL1255382 |
| Plasmodium falciparum |
IC50 |
= |
7943.28 |
nM |
Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay |
CHEMBL1255382 |
| Plasmodium falciparum |
IC50 |
= |
7943.28 |
nM |
Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay |
CHEMBL1255382 |
| Plasmodium falciparum |
IC50 |
= |
6309.57 |
nM |
Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay |
CHEMBL1255382 |
| Plasmodium falciparum |
IC50 |
= |
10000.0 |
nM |
Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay |
CHEMBL1255382 |
| Prelamin-A/C |
Potency |
= |
10000.0 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Prelamin-A/C |
Potency |
= |
35481.3 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) |
CHEMBL1201862 |
| microRNA 21 |
Potency |
= |
116.7 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Modulators of miRNAs and/or Activators of miR-21. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Survival motor neuron protein |
Potency |
= |
35481.3 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Hypoxia-inducible factor 1 alpha |
Potency |
= |
6309.6 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 915 ] |
CHEMBL1201862 |
| Hypoxia-inducible factor 1 alpha |
Potency |
= |
6309.6 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 914 ] |
CHEMBL1201862 |
| MAP kinase ERK2 |
Potency |
= |
10000.0 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Eukaryotic translation initiation factor 2-alpha kinase 3 |
EC50 |
> |
55700.0 |
nM |
PUBCHEM_BIOASSAY: Counterscreen assay for PERK inhibitors: Dose response cell-based high throughput screening assay to measure inhibition of PERK at 6 hours. (Class of assay: confirmatory) [Related pubchem assays: 1522, 1416 ] |
CHEMBL1201862 |
| Luciferin 4-monooxygenase |
EC50 |
> |
112219.0 |
nM |
PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibitors of Luciferase. (Class of assay: confirmatory) [Related pubchem assays: 1663 (Primary HTS), 1678 (Summary of Project)] |
CHEMBL1201862 |
| Unchecked |
EC50 |
< |
701.0 |
nM |
PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Platelet Dense Granule Release. (Class of assay: confirmatory) [Related pubchem assays: 1663 (Primary HTS), 1678 (Summary of Project)] |
CHEMBL1201862 |
| MAP kinase ERK2 |
Potency |
= |
14125.4 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] |
CHEMBL1201862 |
| Beta-lactamase AmpC |
Potency |
= |
70794.6 |
nM |
PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] |
CHEMBL1201862 |
| Cellular tumor antigen p53 |
Potency |
= |
19952.6 |
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 |
| Cellular tumor antigen p53 |
Potency |
= |
15848.9 |
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 |
| microRNA 21 |
Potency |
= |
116.7 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Modulators of miRNAs and/or Inhibitors of miR-21. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Eukaryotic translation initiation factor 2-alpha kinase 3 |
EC50 |
> |
55700.0 |
nM |
PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay to measure PERK inhibition. (Class of assay: confirmatory) [Related pubchem assays: 1416 ] |
CHEMBL1201862 |
| Relaxin receptor 1 |
Potency |
= |
3981.1 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Adenosine deaminase |
Ki |
= |
54500.0 |
nM |
Inhibition of calf placental adenosine deaminase by Lineweaver-Burk plot analysis |
CHEMBL1649089 |
| Relaxin receptor 2 |
Potency |
|
17324.5 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: RXFP2 Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2676, AID2703, AID489012] |
CHEMBL1201862 |
| Nuclear factor erythroid 2-related factor 2 |
Potency |
|
20596.2 |
nM |
PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] |
CHEMBL1201862 |
| Relaxin receptor 1 |
Potency |
|
2181.0 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: RXFP1 Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2676, AID2703, AID489043, AID492948] |
CHEMBL1201862 |
| Unchecked |
Potency |
|
7307.8 |
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 |
| Vasopressin V1b receptor |
Potency |
|
19438.4 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: V1B Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2676, AID2703, AID489012] |
CHEMBL1201862 |
| Unchecked |
Potency |
|
366.3 |
nM |
PUBCHEM_BIOASSAY: qHTS Validation Assay to Find Inhibitors of Chronic Active B-Cell Receptor Signaling. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493014] |
CHEMBL1201862 |
| Ataxin-2 |
Potency |
|
28183.8 |
nM |
PUBCHEM_BIOASSAY: qHTS for Inhibitors of ATXN expression: Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588349, AID588380] |
CHEMBL1201862 |
| High-affinity choline transporter |
IC50 |
|
739.9 |
nM |
PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 5 point CRC. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488975, AID488997, AID493221, AID493222] |
CHEMBL1201862 |
| Plasmodium falciparum |
Potency |
|
6573.3 |
nM |
PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] |
CHEMBL1201862 |
| Flap endonuclease 1 |
Potency |
|
8436.8 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] |
CHEMBL1201862 |
| DNA polymerase iota |
Potency |
|
25118.9 |
nM |
PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] |
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 |
|
4466.8 |
nM |
PUBCHEM_BIOASSAY: qHTS for Inhibitors of Cell Surface uPA Generation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493178] |
CHEMBL1201862 |
| Plasmodium falciparum |
Potency |
|
9285.0 |
nM |
PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] |
CHEMBL1201862 |
| Mothers against decapentaplegic homolog 3 |
Potency |
|
22387.2 |
nM |
PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] |
CHEMBL1201862 |
| HEK293 |
Potency |
|
29092.9 |
nM |
PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] |
CHEMBL1201862 |
| Relaxin receptor 1 |
Potency |
|
21810.3 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: THP1 Hit Validation. (Class of assay: confirmatory) |
CHEMBL1201862 |
| High-affinity choline transporter |
IC50 |
|
335.52 |
nM |
PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 10 point CRC. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Geminin |
Potency |
|
29092.9 |
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 |
| Unchecked |
Potency |
|
920.0 |
nM |
PubChem BioAssay. qHTS Assay to Find Inhibitors of Chronic Active B-Cell Receptor Signaling: Hit Validation in Primary Screen. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Glucagon-like peptide 1 receptor |
Potency |
|
7079.5 |
nM |
PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Tyrosyl-DNA phosphodiesterase 1 |
Potency |
|
4109.5 |
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 |
|
20596.2 |
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 |
|
4109.5 |
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 |
|
1158.2 |
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 |
| Tyrosyl-DNA phosphodiesterase 1 |
Potency |
|
1032.3 |
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 |
|
3662.6 |
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 |
|
3662.6 |
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 |
| Isocitrate dehydrogenase [NADP] cytoplasmic |
Potency |
|
18356.4 |
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 |
| Unchecked |
Ki |
= |
9650.0 |
nM |
Displacement of [2,8-3H]-adenosine from Trypanosoma brucei AT1/P2 expressed in bloodstream stage of Trypanosoma brucei brucei B48 |
CHEMBL3108778 |
| Unchecked |
Potency |
|
22387.2 |
nM |
PubChem BioAssay. qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primary qHTS. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
22387.2 |
nM |
PubChem BioAssay. qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primary qHTS. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
31622.8 |
nM |
PubChem BioAssay. qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
22387.2 |
nM |
PubChem BioAssay. qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: Venus Reporter Primary qHTS. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
14125.4 |
nM |
PubChem BioAssay. qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: Venus Reporter Primary qHTS. (Class of assay: confirmatory) |
CHEMBL1201862 |
| DNA-(apurinic or apyrimidinic site) lyase |
Potency |
|
31622.8 |
nM |
PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) |
CHEMBL1201862 |
| DNA-(apurinic or apyrimidinic site) lyase |
Potency |
|
5011.9 |
nM |
PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
|
35481.3 |
nM |
PubChem BioAssay. qHTS for Inhibitors of binding or entry into cells for Marburg Virus. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Adenosine A2a receptor |
Ki |
= |
180.0 |
nM |
Binding affinity to human recombinant adenosine receptor A2a |
CHEMBL3259781 |
| Adenosine A2b receptor |
EC50 |
|
|
|
Agonist activity at human recombinant adenosine receptor A2b by cAMP assay |
CHEMBL3259781 |
| Adenosine A1 receptor |
Ki |
= |
1.39 |
nM |
Binding affinity to human recombinant adenosine A1 receptor |
CHEMBL3259781 |
| Adenosine A3 receptor |
Ki |
= |
19.0 |
nM |
Binding affinity to human recombinant adenosine A3 receptor |
CHEMBL3259781 |
| Unchecked |
Potency |
|
39810.7 |
nM |
PubChem BioAssay. High Throughput Screening for Foot and Mouth Disease Virus Antivirals. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Serotonin 1a (5-HT1a) receptor |
Inhibition |
< |
50.0 |
% |
Displacement of [3H]WAY100635 from human 5-HT1AR expressed in CHO cell membranes at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control |
CHEMBL3862033 |
| Serotonin 1d (5-HT1d) receptor |
Inhibition |
< |
50.0 |
% |
Displacement of [3H]5-CT from human 5-HT1D receptor expressed in HEK-T cell membranes at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control |
CHEMBL3862033 |
| Serotonin 1b (5-HT1b) receptor |
Inhibition |
< |
50.0 |
% |
Displacement of [3H]5-CT from human 5-HT1BR expressed in HEK cell membranes at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control |
CHEMBL3862033 |
| Serotonin 1e (5-HT1e) receptor |
Inhibition |
< |
50.0 |
% |
Displacement of [3H]5-HT from human 5-HT1E receptor expressed in HEK cell membranes at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control |
CHEMBL3862033 |
| Serotonin 4 (5-HT4) receptor |
Inhibition |
< |
50.0 |
% |
Displacement of [3H]GR113808 from human 5-HT4 receptor at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control |
CHEMBL3862033 |
| Serotonin 6 (5-HT6) receptor |
Inhibition |
< |
50.0 |
% |
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK cell membranes at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control |
CHEMBL3862033 |
| Serotonin 7 (5-HT7) receptor |
Inhibition |
< |
50.0 |
% |
Displacement of [3H]LSD from human 5-HT7A receptor expressed in HEK cell membranes at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control |
CHEMBL3862033 |
| Serotonin 3a (5-HT3a) receptor |
Inhibition |
< |
50.0 |
% |
Displacement of [3H]GR65630 from human 5-HT3 receptor expressed in HEK-T cell membranes at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control |
CHEMBL3862033 |
| Serotonin 2a (5-HT2a) receptor |
Ki |
> |
10000.0 |
nM |
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK-T cell membranes incubated for 90 mins under dark condition by microbeta scintillation counting method |
CHEMBL3862033 |
| Serotonin 2a (5-HT2a) receptor |
Inhibition |
= |
46.0 |
% |
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK-T cell membranes at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control |
CHEMBL3862033 |
| Serotonin 2b (5-HT2b) receptor |
Inhibition |
< |
10.0 |
% |
Displacement of [3H]lysergic from human 5-HT2BR expressed in HEK cell membranes at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control |
CHEMBL3862033 |
| Serotonin 2c (5-HT2c) receptor |
Inhibition |
< |
10.0 |
% |
Displacement of [3H]mesulergine from human 5-HT2CR expressed in Flp-In HEK cell membranes at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control |
CHEMBL3862033 |
| Adenosine A1 receptor |
Ki |
= |
2.8 |
nM |
Displacement of [3H]N6-phenylisopropyladenosine from recombinant human A1AR expressed in CHO cell membranes after 60 mins by liquid scintillation counting method |
CHEMBL3862033 |
| Serotonin 5a (5-HT5a) receptor |
Inhibition |
< |
50.0 |
% |
Displacement of [3H]LSD from human 5-HT5A receptor expressed in Flp-In-CHO cell membranes incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control |
CHEMBL3862033 |
| Heat shock protein HSP 90-alpha |
Inhibition |
> |
45.0 |
% |
Inhibition of full length human C-terminal His-tagged Hsp90 alpha expressed in Escherichia coli at 1.25 mM by fluorescence polarization assay relative to control |
CHEMBL4017529 |
| Unchecked |
Ratio IC50 |
= |
10.0 |
|
Selectivity ratio of IC50 for human full length C-terminal His-tagged Hsp90 alpha expressed in Escherichia coli to IC50 for Thermotoga maritima His-tagged HK853 expressed in Escherichia coli BL21(DE3)pLysS Rosetta |
CHEMBL4017529 |
| Heat shock protein HSP 90-alpha |
IC50 |
<= |
1250000.0 |
nM |
Inhibition of full length human C-terminal His-tagged Hsp90 alpha expressed in Escherichia coli by fluorescence polarization assay |
CHEMBL4017529 |
| Unchecked |
IC50 |
= |
126000.0 |
nM |
Inhibition of ATPgammaS-BODIPY binding to Thermotoga maritima His-tagged HK853 expressed in Escherichia coli BL21(DE3)pLysS Rosetta preincubated for 30 mins prior to ATPgammaS-BODIPY addition measured after 1 hr by coomassie staining-based SDS-PAGE analysis |
CHEMBL4017529 |
| 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 |
= |
1.83 |
% |
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 |
| SARS-CoV-2 |
Inhibition |
= |
72.48 |
% |
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging |
CHEMBL4303101 |
| Plasmodium falciparum |
IC37 |
= |
11.0 |
uM |
Antimalarial activity against Plasmodium falciparum FCQ-27 isolate infected in erythrocytes assessed as reduction in [G-3H]Hypoxanthine incorporation incubated for 24 hrs followed by addition of [G-3H]Hypoxanthine and measured after 18 to 20 hrs by scintillation counting method |
CHEMBL4376805 |
| Replicase polyprotein 1ab |
Inhibition |
= |
21.24 |
% |
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate |
CHEMBL4495564 |
| Replicase polyprotein 1ab |
Inhibition |
= |
-0.3454 |
% |
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate |
CHEMBL4495564 |
| SARS-CoV-2 |
Inhibition |
= |
0.35 |
% |
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging |
CHEMBL4495565 |
| SARS-CoV-2 |
Inhibition |
= |
-0.16 |
% |
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging |
CHEMBL4495565 |
| Candida albicans |
Inhibition |
= |
4.78 |
% |
Antifungal activity against Candida albicans ATCC 90028 (CO-ADD:FG_001); MIC in YNB media using NBS plates, by OD630 |
CHEMBL4513141 |
| Filobasidiella neoformans |
Inhibition |
= |
0.98 |
% |
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 |
= |
3.01 |
% |
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 |
= |
2.26 |
% |
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 |
= |
14.41 |
% |
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 |
= |
9.97 |
% |
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 |
= |
-10.52 |
% |
Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020); MIC in CAMBH media, using NBS plates, by OD(600) |
CHEMBL4513141 |
| SARS-CoV-2 |
Inhibition |
= |
-0.16 |
% |
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging |
CHEMBL4495565 |
| SARS-CoV-2 |
Inhibition |
= |
0.35 |
% |
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging |
CHEMBL4495565 |
| Endoplasmin |
Kd |
= |
8600.0 |
nM |
Displacement of FITC-geldanamycin from GRP94 (unknown origin) after 24 hrs by fluorescence polarization assay |
CHEMBL4680372 |
| Endoplasmin |
Ki |
= |
1800.0 |
nM |
Displacement of FITC-geldanamycin from GRP94 (unknown origin) after 24 hrs by fluorescence polarization assay |
CHEMBL4680372 |
| Heat shock protein HSP 90-alpha |
Kd |
= |
38000.0 |
nM |
Displacement of FITC-geldanamycin from HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assay |
CHEMBL4680372 |
| Heat shock protein HSP 90-alpha |
Ki |
= |
2200.0 |
nM |
Displacement of FITC-geldanamycin from HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assay |
CHEMBL4680372 |
| Unchecked |
Selectivity Index |
= |
4.2 |
|
Selectivity index, ratio of Kd for displacement of FITC-geldanamycin from GRP94 (unknown origin) after 24 hrs by fluorescence polarization assay to Kd for displacement of FITC-geldanamycin from HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assay |
CHEMBL4680372 |
