| Adenosine A1 receptor |
Ki |
= |
1.42 |
nM |
Inhibition of binding of [3H]N6-cyclohexyladenosine to adenosine A1 receptor of rat whole brain membranes. |
CHEMBL1124694 |
| Adenosine A2 receptor |
Ki |
= |
610.0 |
nM |
Inhibition of binding of [3H]NECA to adenosine A2 receptor of rat striatal membranes. |
CHEMBL1124694 |
| Adenosine receptors; A1 & A2 |
Ratio |
= |
430.0 |
|
Selectivity ratio for A1 receptor to that of A2 receptor in vitro in rat tissues |
CHEMBL1124694 |
| Rattus norvegicus |
IC50 |
= |
50.0 |
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 |
= |
1.3 |
nM |
Inhibition of [3H]PIA binding to rat cortical adenosine A1 receptor |
CHEMBL1125345 |
| Phosphoglycerate kinase |
IC50 |
|
|
nM |
Inhibition of Trypanosoma brucei phosphoglycerate kinase (PGK); inactive at 4 mM |
CHEMBL1133593 |
| Adenosine A1 receptor |
Ki |
= |
0.85 |
nM |
Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor |
CHEMBL1125020 |
| Adenosine A2 receptor |
Ki |
= |
2.4 |
nM |
Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand |
CHEMBL1125020 |
| Unchecked |
IC50 |
= |
27.0 |
nM |
Inhibition of Adenylate Cyclase in Rat adipocytes |
CHEMBL1125020 |
| Adenosine A1 receptor |
Affinity constant |
= |
0.003 |
uM |
Affinity constant for inhibition of A1 receptor control of adenylate cyclase in adipocytes, heart and brain cells |
CHEMBL1122012 |
| Adenosine A2 receptor |
Affinity constant |
= |
30.0 |
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 A2a receptor |
Ki |
= |
5.0 |
nM |
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain |
CHEMBL1122012 |
| Adenosine receptor |
Ki |
= |
1.6 |
nM |
Antagonist binding of N6-cyclohexyl-[3H]-adenosine in rat brain |
CHEMBL1122012 |
| Adenosine A1 receptor |
Ki |
= |
2.5 |
nM |
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to bovine brain |
CHEMBL1122012 |
| Adenosine receptor |
Ki |
= |
1.4 |
nM |
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat testes |
CHEMBL1122012 |
| Adenosine receptor |
Ki |
= |
7.0 |
nM |
Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat fat |
CHEMBL1122012 |
| ADMET |
k' |
= |
2.12 |
|
HPLC capacity factor (k') |
CHEMBL1123137 |
| Serum albumin |
Amount bound |
= |
1.3 |
M g-1 |
Serum albumin binding |
CHEMBL1123137 |
| Serum albumin |
K |
= |
3.57 |
M-1 |
Serum albumin binding, dissociation constant |
CHEMBL1123137 |
| Alpha-1a adrenergic receptor |
MPR |
= |
1.6 |
|
Molar potency ratio was evaluated |
CHEMBL1123137 |
| Adenosine A1 receptor |
Ki |
= |
21.0 |
nM |
Binding affinity for adenosine A1 receptor was assayed by displacement of [3H]DPCPX from rat cortical membranes. |
CHEMBL1133444 |
| Adenosine A2a receptor |
Ki |
= |
600.0 |
nM |
Binding affinity for adenosine A2A receptor was determined by displacement of [3H]-DPCPX from rat striatal membranes. |
CHEMBL1133444 |
| Adenosine receptors; A1 & A2a |
Selectivity |
= |
29.0 |
|
Selectivity ratio of Ki of the adenosine A2a receptor and Ki of adenosine A1 receptor |
CHEMBL1133444 |
| Adenosine A1 receptor |
Ki |
= |
1.3 |
nM |
Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand |
CHEMBL1125572 |
| Adenosine A2 receptor |
Ratio |
= |
514.0 |
nM |
Binding affinity against adenosine A2 receptor using [3H]- NECA as radioligand |
CHEMBL1125572 |
| Adenosine receptors; A1 & A2 |
Ratio |
= |
400.0 |
|
Ratio of A2 to A1. |
CHEMBL1125572 |
| Adenosine A1 receptor |
IC50 |
= |
2.5 |
nM |
Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membrane |
CHEMBL1123754 |
| Adenosine A2 receptor |
IC50 |
= |
510.0 |
nM |
Displacement of [3H]-NECA from adenosine A2 receptor of rat striatal membrane |
CHEMBL1123754 |
| Unchecked |
Selectivity |
= |
204.0 |
|
Relative affinities for adenosine A2 and A1 receptors |
CHEMBL1123754 |
| Rattus norvegicus |
IC50 |
= |
1.4 |
nM |
The compound was tested for the concentration to inhibit 50% of Adenylyl cyclase activity in rat cortical membranes. |
CHEMBL1131221 |
| Rattus norvegicus |
Max inhibition |
= |
16.2 |
% |
Maximal % inhibition of adenylyl cyclase activity in rat cortical membranes at a concentration of 10 uM. |
CHEMBL1131221 |
| Rattus norvegicus |
IC50 |
= |
1.6 |
nM |
Inhibitory activity against Adenylyl cyclase in rat cortical membranes in the presence of 2''-Me-CCPA at concentration 30 nM |
CHEMBL1131221 |
| Rattus norvegicus |
Max inhibition |
= |
16.1 |
% |
Inhibitory activity against Adenylyl cyclase in rat cortical membranes in the presence of 2''-Me-CCPA at concentration 30 nM |
CHEMBL1131221 |
| Rattus norvegicus |
IC50 |
= |
1.5 |
nM |
Inhibitory activity against Adenylyl cyclase in rat cortical membranes in the presence of 2''-IB-Ado at concentration 30 nM |
CHEMBL1131221 |
| Rattus norvegicus |
Max inhibition |
= |
16.0 |
% |
Inhibitory activity against Adenylyl cyclase in rat cortical membranes in the presence of 2''-IB-Ado at concentration 30 nM |
CHEMBL1131221 |
| Rattus norvegicus |
IC50 |
= |
1.4 |
nM |
Inhibitory activity against Adenylyl cyclase in rat cortical membranes in the presence of 2''-Me-CPA at concentration 50 nM |
CHEMBL1131221 |
| Rattus norvegicus |
Max inhibition |
= |
16.2 |
% |
Inhibitory activity against Adenylyl cyclase in rat cortical membranes in the presence of 2''-Me-CPA at concentration 50 nM |
CHEMBL1131221 |
| Adenosine A1 receptor |
IC50 |
= |
0.8511 |
nM |
Evaluated for binding affinity against Adenosine A1 receptor |
CHEMBL1126162 |
| Adenosine A1 receptor |
Ki |
= |
1.3 |
nM |
Affinity for Adenosine A1 receptor determined by [3H]N6-cyclohexyladenosine binding to rat brain membranes |
CHEMBL1126005 |
| Adenosine A2 receptor |
Ki |
= |
363.0 |
nM |
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes |
CHEMBL1126005 |
| Adenosine receptors; A1 & A2 |
Ratio |
= |
277.0 |
|
Binding affinity ratio for A2 receptor and to that of A1 receptor in rat |
CHEMBL1126005 |
| Adenosine receptor |
IC50 |
= |
2.4 |
nM |
Displacement of [3H]CHA from rat brain adenosine receptor |
CHEMBL1122392 |
| Adenosine A1 receptor |
IC50 |
= |
5.0 |
nM |
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor |
CHEMBL1125861 |
| Adenosine A2 receptor |
IC50 |
= |
790.0 |
nM |
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor |
CHEMBL1125861 |
| Rattus norvegicus |
ED25 |
= |
0.004 |
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 0.002 mg/kg iv in anesthetized rat |
CHEMBL1125861 |
| Adenosine receptors; A1 & A2 |
Ratio |
= |
0.006 |
|
Ratio of IC50 values for A1 receptor binding to that of A2 receptor |
CHEMBL1125861 |
| Adenosine A1 receptor |
Ki |
= |
1.31 |
nM |
Displacement of [3H]CHA from adenosine A1 receptor of rat whole brain |
CHEMBL1122939 |
| Adenosine A2 receptor |
Ki |
= |
363.0 |
nM |
Displacement of [3H]-NECA from adenosine A2 receptor of rat striatal membrane |
CHEMBL1122939 |
| No relevant target |
Log k |
= |
1.6 |
|
Lipophilicity value was evaluated |
CHEMBL1122939 |
| Adenosine receptors; A1 & A2 |
Ratio |
= |
277.0 |
|
Relative binding to A2 and A1 receptors (ratio of Ki) |
CHEMBL1122939 |
| Adenosine A1 receptor |
IC50 |
= |
2.0 |
nM |
Binding affinity towards the adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA as radioligand. |
CHEMBL1124880 |
| Adenosine A2 receptor |
IC50 |
= |
640.0 |
nM |
Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand. |
CHEMBL1124880 |
| Adenosine A1 receptor |
Ki |
= |
3.0 |
nM |
Binding affinity for Adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA |
CHEMBL1124880 |
| Adenosine A2 receptor |
Ki |
= |
30000.0 |
nM |
Binding affinity for adenosine A2 receptor in corpora striata of rats using [3H]NECA |
CHEMBL1124880 |
| Adenosine A1 receptor |
IC50 |
= |
1.7 |
nM |
Binding affinity towards the adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA as radioligand. |
CHEMBL1124880 |
| Adenosine A1 receptor |
Ki |
= |
1.31 |
nM |
Binding affinity for Adenosine A1 receptor in corpora striata of rats using [3H]NECA |
CHEMBL1124880 |
| Adenosine A1 receptor |
Ki |
= |
1.3 |
nM |
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes |
CHEMBL1132946 |
| Adenosine A2a receptor |
Ki |
= |
750.0 |
nM |
Ability to displace the specific binding of [3H]-CGS- to adenosine A2A receptor form bovine brain striatal membranes |
CHEMBL1132946 |
| Adenosine A3 receptor |
Ki |
= |
25.0 |
nM |
Ability to displace the specific binding of [3H](R)-PIA to adenosine A3 receptor from rat testis membranes |
CHEMBL1132946 |
| Unchecked |
Selectivity |
= |
577.0 |
|
Selectivity, ratio of affinity towards adenosine A2A to A1 |
CHEMBL1132946 |
| Unchecked |
Selectivity |
= |
19.0 |
|
Selectivity, ratio of affinity towards adenosine A3 to A1 |
CHEMBL1132946 |
| Unchecked |
Selectivity |
= |
0.03 |
|
Selectivity, ratio of affinity towards adenosine A3 to A2A |
CHEMBL1132946 |
| Adenosine A2b receptor |
logEC50 |
= |
-4.279 |
|
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclase |
CHEMBL1145544 |
| Adenosine A2b receptor |
Activity |
= |
1.816 |
|
Agonist activity human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclase relative to NECA |
CHEMBL1145544 |
| K562 |
GI50 |
> |
250000.0 |
nM |
Antitumor activity against human K562 cells after 48 hrs by MTS assay |
CHEMBL1155110 |
| Caco-2 |
GI50 |
> |
250000.0 |
nM |
Antitumor activity against human CaCo2 cells after 48 hrs by MTS assay |
CHEMBL1155110 |
| HT-29 |
GI50 |
> |
250000.0 |
nM |
Antitumor activity against human HT29 cells after 48 hrs by MTS assay |
CHEMBL1155110 |
| MCF7 |
GI50 |
> |
250000.0 |
nM |
Antitumor activity against human MCF7 cells after 48 hrs by MTS assay |
CHEMBL1155110 |
| Unchecked |
Ki |
> |
100000.0 |
nM |
Displacement of [3H]adenine from adenine 1 receptor in rat brain cortical membrane by liquid scintillation counting |
CHEMBL1156038 |
| Survival motor neuron protein |
Potency |
= |
3548.1 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Tyrosyl-DNA phosphodiesterase 1 |
Potency |
= |
39810.7 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Potency |
= |
1778.3 |
nM |
PUBCHEM_BIOASSAY: Validation screen for inhibitors of Lassa infection. (Class of assay: confirmatory) |
CHEMBL1201862 |
| NON-PROTEIN TARGET |
Potency |
= |
15848.9 |
nM |
PUBCHEM_BIOASSAY: qHTS for differential inhibitors of proliferation of Plasmodium falciparum line W2. (Class of assay: confirmatory) [Related PubChem assays: 1815 (Assay for Plasmodium falciparum line 7G8), 1877 (Assay for Plasmodium falciparum line D10), 1816 (Assay for Plasmodium falciparum line GB4), 1876 (Assay for Plasmodium falciparum line 7D3), 1828 (Summary assay)] |
CHEMBL1201862 |
| Peripheral myelin protein 22 |
Potency |
= |
75686.3 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Human Peripheral Myelin Protein 22 (PMP22) Expression/Activity. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Thioredoxin reductase 1, cytoplasmic |
Potency |
|
2993.5 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771, AID488772] |
CHEMBL1201862 |
| 6-phospho-1-fructokinase |
Potency |
|
756.9 |
nM |
PUBCHEM_BIOASSAY: qHTS Validation Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] |
CHEMBL1201862 |
| Unchecked |
Potency |
|
1636.0 |
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 |
| Runt-related transcription factor 1/Core-binding factor subunit beta |
Potency |
|
8912.5 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] |
CHEMBL1201862 |
| ATPase family AAA domain-containing protein 5 |
Potency |
|
2058.8 |
nM |
PUBCHEM_BIOASSAY: Validation screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493125, AID504467] |
CHEMBL1201862 |
| Thioredoxin reductase 1, cytoplasmic |
Potency |
|
2993.5 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] |
CHEMBL1201862 |
| Unchecked |
Potency |
|
29081.0 |
nM |
PUBCHEM_BIOASSAY: qHTS for inhibitors of binding or entry into cells for Marburg Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249, AID540278] |
CHEMBL1201862 |
| HEK293 |
Potency |
|
1778.3 |
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 |
| Dopamine D1 receptor |
Potency |
|
58.0 |
nM |
PubChem BioAssay. HTS Assay for Allosteric Antagonists of the Human D2 Dopamine Receptor: Hit Validation in HTRF. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Cerebroside-sulfatase |
Potency |
|
37.9 |
nM |
PubChem BioAssay. qHTS screen for enhancers of Arylsulfatase A (ASA1): LOPAC Validation Assay. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Adenosine A1 receptor |
Kd |
= |
1.3 |
nM |
Displacement of [3H] CGS 21680 from rat hippocampus adenosine A1 receptor |
CHEMBL3769306 |
| 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 |
|
|
|
Cytotoxicity against PEK cells after 24 hrs |
CHEMBL3994636 |
| Unchecked |
CC50 |
|
|
|
Cytotoxicity against PEK cells after 7 days |
CHEMBL3994636 |
