| Rattus norvegicus |
IC50 |
= |
18000.0 |
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 |
= |
2600.0 |
nM |
Inhibition of [3H]PIA binding to rat cortical adenosine A1 receptor |
CHEMBL1125345 |
| Adenosine A1 receptor |
Ki |
= |
1800.0 |
nM |
Binding affinity towards adenosine A1 receptor in rat brain cortex |
CHEMBL1134790 |
| Adenosine A2a receptor |
Ki |
= |
19.0 |
nM |
Binding affinity towards adenosine A2A receptor in rat brain striatum |
CHEMBL1134790 |
| Adenosine A1 receptor |
Ki |
= |
569.0 |
nM |
Binding affinity against adenosine A1 receptor from rat brain using [3H]CHA as a radioligand. |
CHEMBL1128307 |
| Adenosine A2a receptor |
Ki |
= |
11.0 |
nM |
Binding affinity against adenosine A2a receptor from rat striatum using [3H]-CGS- 21680 as a radioligand. |
CHEMBL1128307 |
| Adenosine A1 receptor |
EC50 |
> |
10000.0 |
nM |
Functional activity against adenosine A1 receptor from rat atria. |
CHEMBL1128307 |
| Adenosine A2a receptor |
EC50 |
= |
115.0 |
nM |
Functional activity against adenosine A2a receptor from rat aorta. |
CHEMBL1128307 |
| Adenosine A2a receptor |
Potency ratio |
= |
0.1 |
|
Anti-aggregatory activity against adenosine A2A receptor from rabbit platelets. Potency ratio was reported with reference to the NECA IC50 of 0.2 uM. |
CHEMBL1128307 |
| ADMET |
k' |
= |
0.24 |
|
Hydrophobicity index (k'') (RP-HPLC pH 7.5) |
CHEMBL1128307 |
| Adenosine receptors; A1 & A2a |
Selectivity |
= |
51.7 |
|
Selectivity as the ratio of Ki value towards A1 receptor to that of A2a receptor. |
CHEMBL1128307 |
| Adenosine A1 receptor |
Ki |
= |
9900.0 |
nM |
Displacement of [3H]R-PIA from adenosine A1 receptor of Wistar rat forebrain |
CHEMBL1132368 |
| Adenosine A2a receptor |
Ki |
= |
11.0 |
nM |
Displacement of [3H]-CGS- 21680 from adenosine A2A receptor of rat striatal tissue |
CHEMBL1132368 |
| Unchecked |
IC50 |
= |
1260.0 |
nM |
In vitro inhibition of isoprenaline-stimulated cAMP accumulation in DDT1-MF2 cells (measured by adenosine A1 functional assay) |
CHEMBL1132368 |
| Mus musculus |
ED50 |
= |
0.19 |
mg.kg-1 |
In vivo inhibition of spontaneous locomotor activity of mouse by the compound 30 min after intraperitoneal administration. |
CHEMBL1132368 |
| Mus musculus |
ED50 |
= |
4.9 |
mg.kg-1 |
In vivo inhibition of DMCM-induced seizures in mouse by the compound 30 min after intraperitoneal administration |
CHEMBL1132368 |
| Gerbillinae |
Reduction |
= |
46.0 |
|
Reduction in hippocampal cell death by compound administered 30 min after a period of severe forebrain ischemia in the Mongolian gerbil at 10 mg/kg dosed 30 min and 120 min post ischemia |
CHEMBL1132368 |
| Rattus norvegicus |
Reduction |
= |
69.0 |
% |
Percent reduction in blood pressure in an anesthetized rat 5 min after intravenous administration of 0.1 mg/kg of compound |
CHEMBL1132368 |
| Adenosine A1 receptor |
Ki |
= |
1408.0 |
nM |
Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presence of 2-chloroadenosine |
CHEMBL1124836 |
| Adenosine A2 receptor |
Ki |
= |
19.0 |
nM |
Binding to Adenosine A2 receptor was measured in ADA-pretreated rat striatal membranes using [3H]-CGS- 21680 |
CHEMBL1124836 |
| Rattus norvegicus |
EC25 |
= |
2.0 |
nM |
Effective concentration required for 25% increase in coronary flow(CF) in perfused working heart model was determined |
CHEMBL1124836 |
| Rattus norvegicus |
EC25 |
> |
3000.0 |
nM |
Effective concentration required for 25% increase in heart rate in perfused working heart model was determined |
CHEMBL1124836 |
| Unchecked |
Ratio |
= |
74.0 |
|
Ratio of A1-receptor binding to that of A2-receptor binding |
CHEMBL1124836 |
| Adenosine A2a receptor |
Bmax |
= |
5.69 |
pM mg-1 |
Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]-CGS-21,680 in COS-7 cells |
CHEMBL1130114 |
| Adenosine A2a receptor |
Kd |
= |
36.4 |
nM |
Kd in saturation experiments using [3H]CGS-21680 at WT receptor in COS-7 cells |
CHEMBL1130114 |
| Adenosine A2a receptor |
Bmax |
= |
3.16 |
pM mg-1 |
Binding affinity for HA-tagged mutant human Adenosine A2A receptor (V84L) using [3H]-CGS-21,680 in COS-7 cells |
CHEMBL1130114 |
| Adenosine A2a receptor |
Kd |
= |
27.3 |
nM |
Kd in saturation experiments using [3H]CGS-21680 at V84L mutant receptor in COS-7 cells |
CHEMBL1130114 |
| Adenosine A2a receptor |
Bmax |
= |
1.67 |
pM mg-1 |
Binding affinity for HA-tagged mutant human Adenosine A2A receptor (H250N) using [3H]CGS-21680 in COS-7 cells |
CHEMBL1130114 |
| Adenosine A2a receptor |
Kd |
= |
7.6 |
nM |
Kd in saturation experiments using [3H]CGS-21680 at H250N mutant receptor in COS-7 cells |
CHEMBL1130114 |
| Adenosine A2a receptor |
Bmax |
= |
5.6 |
pM mg-1 |
Saturation binding of wild type human Adenosine A2A receptor at pH 5.5 |
CHEMBL1130114 |
| Adenosine A2a receptor |
Kd |
= |
22.0 |
nM |
Saturation binding characteristics of wild type human Adenosine A2A receptor at pH 5.5 |
CHEMBL1130114 |
| Adenosine A2a receptor |
Bmax |
= |
1.47 |
pM mg-1 |
Saturation binding of mutant human Adenosine A2A receptor (H250N) at pH 5.5 |
CHEMBL1130114 |
| Adenosine A2a receptor |
Kd |
= |
4.3 |
nM |
Saturation binding of mutant human Adenosine A2A receptor (H250N) at pH 5.5 |
CHEMBL1130114 |
| Adenosine A2a receptor |
Bmax |
= |
5.69 |
pM mg-1 |
Saturation binding of wild type human Adenosine A2A receptor at pH 6.8 |
CHEMBL1130114 |
| Adenosine A2a receptor |
Kd |
= |
36.4 |
nM |
Saturation binding of wild type human Adenosine A2A receptor at pH 6.8 |
CHEMBL1130114 |
| Adenosine A2a receptor |
Bmax |
= |
1.67 |
pM mg-1 |
Saturation binding of mutant human Adenosine A2A receptor (H250N) at pH 6.8 |
CHEMBL1130114 |
| Adenosine A2a receptor |
Kd |
= |
7.6 |
nM |
Saturation binding of human Adenosine A2A receptor (H250N) at pH 6.8 |
CHEMBL1130114 |
| Adenosine A2a receptor |
Bmax |
= |
4.57 |
pM mg-1 |
Saturation binding of wild type human Adenosine A2A receptor at pH 7.5 |
CHEMBL1130114 |
| Adenosine A2a receptor |
Kd |
= |
74.0 |
nM |
Saturation binding characteristics of wild type human Adenosine A2A receptor at pH 7.5 |
CHEMBL1130114 |
| Adenosine A2a receptor |
Bmax |
= |
1.0 |
pM mg-1 |
Saturation binding of mutant human Adenosine A2A receptor (H250N) at pH 7.5 |
CHEMBL1130114 |
| Adenosine A2a receptor |
Kd |
= |
11.6 |
nM |
Saturation binding of human Adenosine A2A receptor H250N at pH 7.5 |
CHEMBL1130114 |
| Adenosine A2a receptor |
Bmax |
= |
6.94 |
pM mg-1 |
Saturation binding of wild type human Adenosine A2A receptor at pH 8.4 |
CHEMBL1130114 |
| Adenosine A2a receptor |
Kd |
= |
632.0 |
nM |
Saturation binding of wild type human Adenosine A2A receptor at pH 8.4 |
CHEMBL1130114 |
| Adenosine A2a receptor |
Bmax |
= |
0.8270000000000001 |
pM mg-1 |
Saturation binding of mutant human Adenosine A2A receptor (H250N) at pH 8.4 |
CHEMBL1130114 |
| Adenosine A2a receptor |
Kd |
= |
99.0 |
nM |
Saturation binding of human Adenosine A2A receptor H250N at pH 8.4 |
CHEMBL1130114 |
| Adenosine A1 receptor |
Ki |
= |
2600.0 |
nM |
Tested for the binding affinity of A1 receptor by displacing the [3H]-PIA in rat brain membranes |
CHEMBL1127377 |
| Adenosine A2a receptor |
Ki |
= |
15.0 |
nM |
Tested for the binding affinity of A2a receptor by displacing the [3H]-CGS- 21680 in rat striatal membranes |
CHEMBL1127377 |
| Adenosine A3 receptor |
Ki |
= |
584.0 |
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 |
= |
4.4 |
|
Ratio of Ki for A1 and A3 receptors |
CHEMBL1127377 |
| Adenosine receptor A2a and A3 |
Ratio |
= |
0.026 |
|
Ratio of Ki for A2a and A3 receptors |
CHEMBL1127377 |
| Adenosine A1 receptor |
Ki |
= |
2600.0 |
nM |
Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand |
CHEMBL1125572 |
| Adenosine A2 receptor |
Ratio |
= |
15.0 |
nM |
Binding affinity against adenosine A2 receptor using [3H]- NECA as radioligand |
CHEMBL1125572 |
| Adenosine receptors; A1 & A2 |
Ratio |
= |
0.0058 |
|
Ratio of A2 to A1. |
CHEMBL1125572 |
| Adenosine A1 receptor |
EC50 |
> |
100.0 |
nM |
[S]GTP gamma-S binding against adenosine A1 receptor in rat brain |
CHEMBL1131655 |
| Adenosine A1 receptor |
EC50 |
= |
6437.0 |
nM |
Binding against human adenosine A1 receptor |
CHEMBL1131655 |
| Adenosine A1 receptor |
Ki |
= |
1232.0 |
nM |
Inhibition of [3H]CHA binding to adenosine A1 receptor from rat brain membranes |
CHEMBL1126082 |
| Adenosine A2 receptor |
Ki |
= |
8.8 |
nM |
Inhibition of [3H]NECA binding to adenosine A2 receptor from rat striatal membranes |
CHEMBL1126082 |
| Rattus norvegicus |
ED30 |
= |
0.97 |
ug kg-1 |
Dose producing 30% decrease in blood pressure of anesthetized spontaneous hypertensive male rat(SHR) |
CHEMBL1126082 |
| Rattus norvegicus |
ED10 |
> |
100.0 |
ug kg-1 |
Dose producing 10% decrease in heart rate of anaesthetized spontaneous hypertensive male rat(SHR) |
CHEMBL1126082 |
| Adenosine receptors; A1 & A2 |
Selectivity |
= |
140.0 |
|
Selectivity for adenosine receptor subtype, ratio of Ki(nM) at A1 receptor to Ki(nM) at A2 receptor |
CHEMBL1126082 |
| Adenosine A1 receptor |
Ki |
= |
569.0 |
nM |
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
CHEMBL1128544 |
| Adenosine A2a receptor |
Ki |
= |
11.0 |
nM |
Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum |
CHEMBL1128544 |
| Adenosine receptors; A1 & A2a |
Selectivity |
= |
52.0 |
|
Relative affinities for rat adenosine A1 and A2a receptors |
CHEMBL1128544 |
| Adenosine A1 receptor |
EC50 |
> |
10000.0 |
nM |
Activity at Adenosine A1 receptor of rat atria |
CHEMBL1128544 |
| Adenosine A2a receptor |
EC50 |
= |
115.0 |
nM |
Functional activity at Adenosine A2A receptor as vasorelaxation of rat aorta |
CHEMBL1128544 |
| Adenosine A1 receptor |
Ki |
= |
1232.0 |
nM |
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand |
CHEMBL1126140 |
| Adenosine A2 receptor |
Ki |
= |
8.8 |
nM |
Binding affinity against adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand |
CHEMBL1126140 |
| Rattus norvegicus |
ED30 |
= |
0.83 |
ug kg-1 |
Dose producing 30% decrease of blood pressure in anesthetized rats (SHR) |
CHEMBL1126140 |
| Rattus norvegicus |
ED10 |
> |
100.0 |
ug kg-1 |
Dose producing 10% decrease of heart rate in anesthetized rats (SHR) |
CHEMBL1126140 |
| Adenosine receptors; A1 & A2 |
Selectivity |
= |
140.0 |
|
Selectivity against adenosine A1 to A2 receptors |
CHEMBL1126140 |
| Adenosine A1 receptor |
EC50 |
= |
24547.09 |
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 |
= |
0.7413 |
nM |
Coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation |
CHEMBL1125661 |
| Adenosine receptors; A1 & A2 |
Ratio |
= |
33000.0 |
|
Ratio of EC50 stim-QRS (conduction block) and EC50 for vasodilation of coronary arteries |
CHEMBL1125661 |
| Adenosine A1 receptor |
Ki |
= |
1138.0 |
nM |
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand. |
CHEMBL1125505 |
| Adenosine A2 receptor |
Ki |
= |
10.0 |
nM |
Binding affinity against adenosine A2 receptor from rat striatum using [3H]NECA as radioligand. |
CHEMBL1125505 |
| Rattus norvegicus |
ED30 |
= |
0.83 |
ug kg-1 |
Dose producing 30% decrease in blood pressure of anesthetized spontaneously hypertensive rats (SHR's) |
CHEMBL1125505 |
| Rattus norvegicus |
ED10 |
> |
100.0 |
ug kg-1 |
Dose producing 10% decrease in heart rate of anesthetized spontaneously hypertensive rats (SHR's) |
CHEMBL1125505 |
| Adenosine receptors; A1 & A2 |
Selectivity |
= |
114.0 |
|
Selectivity determined as Ratio of Ki(nM) of A1 adenosine receptor to the Ki(nM) of A2 adenosine receptor |
CHEMBL1125505 |
| Adenosine A1 receptor |
Ki |
= |
2600.0 |
nM |
Displacement of [3H]CHA from Adenosine A1 receptor in rat cortical membrane |
CHEMBL1135807 |
| Adenosine A2a receptor |
Ki |
= |
15.0 |
nM |
Displacement of [3H]NECA from Adenosine A2A receptor in rat striatal membrane |
CHEMBL1135807 |
| Adenosine A3 receptor |
Ki |
= |
584.0 |
nM |
Displacement of [125I]APNEA from human Adenosine A3 receptor expressed in HEK 293 cells |
CHEMBL1135807 |
| Adenosine A2a receptor |
Emax |
= |
100.0 |
% |
Maximum level of G-protein activation (Emax) compared to CGS 21680 through Adenosine A2A receptor expressed in CHO cells using cAMP assay |
CHEMBL1135807 |
| Adenosine A1 receptor |
Ki |
= |
2600.0 |
nM |
Displacement of [3H]- DPCPX from adenosine A1 receptor on rat cortical membrane |
CHEMBL1132702 |
| Adenosine A1 receptor |
Ki |
= |
289.0 |
nM |
Binding affinity for human adenosine A1 receptor |
CHEMBL1132702 |
| Adenosine A2a receptor |
Ki |
= |
15.0 |
nM |
Ability to displace radioligand [3H]- CGS 21680 from adenosine A2A receptor on rat striatal membrane |
CHEMBL1132702 |
| Adenosine A2a receptor |
Ki |
= |
27.1 |
nM |
Binding affinity for human adenosine A2A receptor |
CHEMBL1132702 |
| Adenosine A3 receptor |
Ki |
= |
584.0 |
nM |
Binding affinity for rat adenosine A3 receptor |
CHEMBL1132702 |
| Adenosine A3 receptor |
Ki |
= |
67.1 |
nM |
Displacement of [125I]AB-MECA from membranes of HEK 293 cells expressing human Adenosine A3 receptor |
CHEMBL1132702 |
| Adenosine A2b receptor |
EC50 |
= |
213000.0 |
nM |
Effective concentration for cAMP production in CHO-KI cells stably transfected with human adenosine A2B receptor cDNA |
CHEMBL1132702 |
| Adenosine A1 receptor |
Ki |
= |
302.0 |
nM |
Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells |
CHEMBL1137202 |
| Adenosine A2a receptor |
Ki |
= |
50.0 |
nM |
Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells |
CHEMBL1137202 |
| Adenosine A2b receptor |
Ki |
> |
10000.0 |
nM |
Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells |
CHEMBL1137202 |
| Adenosine A3 receptor |
Ki |
= |
68.0 |
nM |
Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells |
CHEMBL1137202 |
| Adenosine A1 receptor |
Ki |
|
|
|
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells |
CHEMBL1142932 |
| Adenosine A2a receptor |
Ki |
= |
46.2 |
nM |
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells |
CHEMBL1142932 |
| Adenosine A3 receptor |
Ki |
|
|
|
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HEK293T cells |
CHEMBL1142932 |
| Rattus norvegicus |
CL |
= |
82.0 |
mL.min-1.kg-1 |
Unbound clearance in rat at 1 mg/kg, iv |
CHEMBL1141649 |
| Rattus norvegicus |
CL |
= |
14.0 |
mL.min-1.kg-1 |
Clearance in rat at 1 mg/kg, iv |
CHEMBL1141649 |
| Unchecked |
IC50 |
= |
47.0 |
nM |
Inhibition of fLMP-induced super oxide production in human neutrophils |
CHEMBL1141649 |
| Cavia porcellus |
Activity |
|
|
|
Inhibition of capsaicin-induced bronchoconstriction in guinea pig after 15 mins |
CHEMBL1141649 |
| Cavia porcellus |
Activity |
= |
30.0 |
% |
Toxicity assessed as reduction in diastolic blood pressure in guinea pig |
CHEMBL1141649 |
| Rattus norvegicus |
Cmax |
= |
271.0 |
nM |
Cmax in intratracheally dosed rat at 1 mg/kg |
CHEMBL1141649 |
| Liver microsomes |
CL |
< |
8.0 |
mL.min-1.g-1 |
Intrinsic clearance in human liver microsomes |
CHEMBL1141649 |
| ADMET |
permeability |
< |
0.2 |
10^-6 cm/s |
Membrane permeability by PAMPA assay |
CHEMBL1141649 |
| No relevant target |
LogD |
= |
-0.15 |
|
Distribution coefficient, log D at pH 7.4 |
CHEMBL1141649 |
| Adenosine A1 receptor |
Ki |
|
|
|
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells |
CHEMBL1157148 |
| Adenosine A2a receptor |
Ki |
= |
46.2 |
nM |
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells |
CHEMBL1157148 |
| Adenosine A3 receptor |
Ki |
|
|
|
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HEK293T cells |
CHEMBL1157148 |
| Aorta |
Activity |
|
|
|
Vasorelaxation activity in Wistar rat endothelium-intact aortic ring assessed as inhibition of noradrenaline-induced contraction after 20 mins |
CHEMBL1141671 |
| Aorta |
IC50 |
= |
263.03 |
nM |
Vasorelaxation activity in Wistar rat endothelium-intact aortic ring assessed as inhibition of noradrenaline-induced contraction after 20 mins |
CHEMBL1141671 |
| Aorta |
Emax |
= |
76.0 |
% |
Vasorelaxation activity in Wistar rat endothelium-intact aortic ring assessed as inhibition of noradrenaline-induced contraction at 10 uM after 20 mins |
CHEMBL1141671 |
| Aorta |
IC50 |
= |
69.18 |
nM |
Potentiation of CGS-21680-induced vasorelaxation activity in Wistar rat endothelium-intact aortic ring assessed as inhibition of noradrenaline-induced contraction after 20 mins |
CHEMBL1141671 |
| Aorta |
Emax |
= |
91.0 |
% |
Potentiation of CGS-21680-induced vasorelaxation activity in Wistar rat endothelium-intact aortic ring assessed as inhibition of noradrenaline-induced contraction at 10 uM after 20 mins |
CHEMBL1141671 |
| Adenosine A2b receptor |
Inhibition |
= |
12.0 |
% |
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells at 10 uM |
CHEMBL1137016 |
| Adenosine A2b receptor |
Inhibition |
< |
10.0 |
% |
Displacement of [125I]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells at 100 uM |
CHEMBL1137016 |
| Adenosine A3 receptor |
Ki |
|
|
|
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HEK293T cells by scintillation counting |
CHEMBL1152960 |
| Adenosine A2a receptor |
Ki |
= |
46.2 |
nM |
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells by scintillation counting |
CHEMBL1152960 |
| Adenosine A1 receptor |
Ki |
|
|
|
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells by scintillation counting |
CHEMBL1152960 |
| Adenosine A2a receptor |
Ki |
= |
21.0 |
nM |
Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2 |
CHEMBL1158518 |
| Adenosine A2a receptor |
IC50 |
= |
19.0 |
nM |
Agonist activity at adenosine A2A receptor in human neutrophils assessed as inhibition of fMLP-induced reactive oxygen species release by chemiluminescence assay |
CHEMBL1158518 |
| Adenosine A1 receptor |
EC50 |
> |
10000.0 |
nM |
Agonist activity at human adenosine A1 receptor expressed in CHO cells by GTPPgammaS binding assay |
CHEMBL1158518 |
| Adenosine A3 receptor |
EC50 |
= |
613.0 |
nM |
Agonist activity at human adenosine A3 receptor expressed in CHO cells by GTPPgammaS binding assay |
CHEMBL1158518 |
| Adenosine A2b receptor |
EC50 |
> |
10000.0 |
nM |
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as effect on cAMP production by luciferase reporter gene assay |
CHEMBL1158518 |
| PBMC |
IC50 |
= |
58.0 |
nM |
Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TNFalpha production after 20 hrs by ELISA |
CHEMBL1158518 |
| PBMC |
IC50 |
= |
83.0 |
nM |
Antiinflammatory activity in rat PBMC assessed as inhibition of LPS-induced TNFalpha production after 20 hrs by ELISA |
CHEMBL1158518 |
| Adenosine A2a receptor |
Inhibition |
|
|
% |
Antagonist activity at human recombinant adenosine A2A receptor expressed in HEK293 cells assessed as inhibition of CGS-21680-induced [3H]cAMP production at 10 uM after 24 hrs by liquid scintillation spectrometry |
CHEMBL1157745 |
| Saccharomyces cerevisiae |
Potency |
= |
32.6 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Nuclear factor erythroid 2-related factor 2 |
Potency |
|
2909.3 |
nM |
PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors: Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493163, AID504444, AID504648] |
CHEMBL1201862 |
| Histone acetyltransferase GCN5 |
Potency |
|
39810.7 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] |
CHEMBL1201862 |
| Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 |
Potency |
|
11917.3 |
nM |
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] |
CHEMBL1201862 |
| 6-phospho-1-fructokinase |
Potency |
|
37933.0 |
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 |
|
18.4 |
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 |
| Regulator of G-protein signaling 4 |
Potency |
|
1061.1 |
nM |
PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] |
CHEMBL1201862 |
| DNA polymerase kappa |
Potency |
|
33587.5 |
nM |
PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] |
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 |
| Adenosine A3 receptor |
Ki |
= |
570.0 |
nM |
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human A3 adenosine receptor expressed in CHO cell membranes after 60 mins |
CHEMBL1949672 |
| Adenosine A1 receptor |
Ki |
= |
380.0 |
nM |
Displacement of [3H]N6-phenylisopropyladenosine from human A1 adenosine receptor expressed in CHO cell membranes after 60 mins |
CHEMBL1949672 |
| Adenosine A2a receptor |
Ki |
= |
70.0 |
nM |
Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5'-N-ethylcarboxamido-adenosine from human A2A adenosine receptor expressed in HEK293 cell membranes after 60 mins |
CHEMBL1949672 |
| Adenosine A2a receptor |
Ki |
= |
27.0 |
nM |
Displacement of [3H]CGS21680 from A2A adenosine receptor expressed in rat striatal membranes after 30 mins by liquid scintillation counting |
CHEMBL1949672 |
| Adenosine A1 receptor |
Ki |
= |
1800.0 |
nM |
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex |
CHEMBL2040767 |
| Adenosine A1 receptor |
Ki |
= |
289.0 |
nM |
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor |
CHEMBL2040767 |
| Adenosine A2a receptor |
Ki |
= |
18.0 |
nM |
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatum |
CHEMBL2040767 |
| Adenosine A2a receptor |
Ki |
= |
27.0 |
nM |
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor |
CHEMBL2040767 |
| Adenosine A2b receptor |
Ki |
> |
10000.0 |
nM |
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation assay |
CHEMBL2040767 |
| Adenosine A3 receptor |
Ki |
= |
114.0 |
nM |
Displacement of [125I]-AB-MECA from human recombinant adenosine A3 receptor |
CHEMBL2040767 |
| Dopamine D1 receptor |
Potency |
|
5173.5 |
nM |
PubChem BioAssay. HTS Assay for Allosteric Antagonists of the Human D2 Dopamine Receptor: Hit Validation in HTRF. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Adenosine A1 receptor |
Ki |
= |
289.0 |
nM |
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor |
CHEMBL2321867 |
| Adenosine A3 receptor |
Ki |
= |
114.0 |
nM |
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis |
CHEMBL2321867 |
| Adenosine A2a receptor |
Ki |
= |
27.0 |
nM |
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK cells |
CHEMBL2321867 |
| Adenosine A2a receptor |
Ki |
= |
18.0 |
nM |
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins by liquid scintillation counting analysis |
CHEMBL2321867 |
| Adenosine A1 receptor |
Ki |
= |
1800.0 |
nM |
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by liquid scintillation counting analysis |
CHEMBL2321867 |
| Adenosine receptors; A1 & A3 |
Selectivity ratio |
= |
50.0 |
|
Selectivity ratio; ratio of pEC50 for human adenosine A1 receptor to pEC50 for human adenosine A3 receptor |
CHEMBL3132785 |
| Adenosine A3 receptor |
EC50 |
= |
10.0 |
nM |
Agonist activity at human adenosine A3 receptor expressed in FlpIn-CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by fluorescence assay |
CHEMBL3132785 |
| Adenosine A2a receptor |
EC50 |
= |
12.59 |
nM |
Agonist activity at human adenosine A2A receptor expressed in FlpIn-CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by fluorescence assay |
CHEMBL3132785 |
| Adenosine A2b receptor |
EC50 |
= |
39.81 |
nM |
Agonist activity at human adenosine A2B receptor expressed in FlpIn-CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by fluorescence assay |
CHEMBL3132785 |
| Adenosine A1 receptor |
EC50 |
= |
501.19 |
nM |
Agonist activity at human adenosine A1 receptor expressed in FlpIn-CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by fluorescence assay |
CHEMBL3132785 |
| Unchecked |
Selectivity ratio |
= |
4.0 |
|
Selectivity ratio; ratio of pEC50 for human adenosine A2B receptor to pEC50 for human adenosine A3 receptor |
CHEMBL3132785 |
| Unchecked |
Selectivity ratio |
= |
1.0 |
|
Selectivity ratio; ratio of pEC50 for human adenosine A2A receptor to pEC50 for human adenosine A3 receptor |
CHEMBL3132785 |
| Adenosine A2a receptor |
Ki |
= |
27.0 |
nM |
Binding affinity to human recombinant adenosine receptor A2a |
CHEMBL3259781 |
| Adenosine A2a receptor |
Ki |
= |
19.0 |
nM |
Binding affinity to rat recombinant adenosine receptor A2a |
CHEMBL3259781 |
| Adenosine A2b receptor |
EC50 |
= |
361000.0 |
nM |
Agonist activity at human recombinant adenosine receptor A2b by cAMP assay |
CHEMBL3259781 |
| Adenosine A1 receptor |
Ki |
= |
290.0 |
nM |
Binding affinity to human recombinant adenosine A1 receptor |
CHEMBL3259781 |
| Adenosine A3 receptor |
Ki |
= |
67.0 |
nM |
Binding affinity to human recombinant adenosine A3 receptor |
CHEMBL3259781 |
| Unchecked |
Ratio Ki |
= |
10.0 |
|
Selectivity ratio of Ki for human recombinant adenosine A1 receptor to Ki for human recombinant adenosine receptor A2a |
CHEMBL3259781 |
| Unchecked |
Ratio Ki |
= |
140.0 |
|
Selectivity ratio of Ki for rat striatal adenosine A1 receptor to Ki for rat recombinant adenosine receptor A2a |
CHEMBL3259781 |
| ADMET |
PPB |
|
57.99 |
% |
ASTRAZENECA: % bound to plasma by equilibrium dialysis. Compound is incubated with whole human plasma at 37C for >5hrs. Method described in B. Testa et al (Eds.), Pharmacokinetic Profiling in Drug Research: Biological, Physicochemical, and Computational Strategies, Wiley-VCH, Weinheim, 2006, pp.119-141. Experimental range 10% to 99.95% bound. |
CHEMBL3301361 |
| ADMET |
PPB |
|
64.01 |
% |
ASTRAZENECA: % bound to plasma by equilibrium dialysis. Compound is incubated with whole mouse plasma at 37C for >5hrs. Method described in B. Testa et al (Eds.), Pharmacokinetic Profiling in Drug Research: Biological, Physicochemical, and Computational Strategies, Wiley-VCH, Weinheim, 2006, pp.119-141. Experimental range 10% to 99.95% bound. |
CHEMBL3301361 |
| ADMET |
PPB |
|
89.91 |
% |
ASTRAZENECA: % bound to plasma by equilibrium dialysis. Compound is incubated with whole rat plasma at 37C for >5hrs. Method described in B. Testa et al (Eds.), Pharmacokinetic Profiling in Drug Research: Biological, Physicochemical, and Computational Strategies, Wiley-VCH, Weinheim, 2006, pp.119-141. Experimental range 10% to 99.95% bound. |
CHEMBL3301361 |
| Adenosine A1 receptor |
Ki |
= |
380.0 |
nM |
Displacement of [3H]R-PIA from human adenosine A1 receptor expressed in CHO cells |
CHEMBL3352600 |
| Adenosine A2a receptor |
Ki |
= |
70.0 |
nM |
Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from human adenosine A2a receptor expressed in HEK293 cells |
CHEMBL3352600 |
| Adenosine A3 receptor |
Ki |
= |
570.0 |
nM |
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells |
CHEMBL3352600 |
| Adenosine A2a receptor |
EC50 |
= |
2.12 |
nM |
Agonist activity at human adenosine A2a receptor expressed in CHO cells assessed as stimulation of cAMP formation after 24 hrs |
CHEMBL3352600 |
| Adenosine A2a receptor |
Kd |
= |
4.36 |
nM |
Displacement of [3H]4-[2-[7-amino-2-(2-furyl)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-yl-amino]ethylphenol from wild type human adenosine A2a receptor expressed in HEK293 cells assessed as radioligand Kd compound preincubated for 30 mins |
CHEMBL3352600 |
| Adenosine A2a receptor |
Bmax |
= |
7.76 |
pmol |
Displacement of [3H]4-[2-[7-amino-2-(2-furyl)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-yl-amino]ethylphenol from wild type human adenosine A2a receptor expressed in HEK293 cells assessed as radioligand Bmax per mg of protein compound preincubated for 30 mins |
CHEMBL3352600 |
| Adenosine A2a receptor |
Ki |
= |
12.48 |
nM |
Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in CHO cell membranes incubated for 120 mins by scintillation counting method |
CHEMBL3414558 |
| Adenosine A1 receptor |
Inhibition |
= |
17.0 |
% |
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membranes incubated for 120 mins by scintillation counting method relative to untreated control |
CHEMBL3414558 |
| Adenosine A1 receptor |
Ki |
> |
10000.0 |
nM |
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membranes incubated for 120 mins by scintillation counting method |
CHEMBL3414558 |
| Adenosine A2a receptor |
EC50 |
= |
18.47 |
nM |
Agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as stimulation of [3H]cAMP levels by scintillation counting method |
CHEMBL3414558 |
| Adenosine A2b receptor |
EC50 |
> |
10000.0 |
nM |
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of [3H]cAMP levels by scintillation counting method |
CHEMBL3414558 |
| Adenosine A3 receptor |
Ki |
= |
384.0 |
nM |
Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes incubated for 30 mins by scintillation counting method |
CHEMBL3414558 |
| Adenosine A2a receptor |
Ki |
= |
503.0 |
nM |
Displacement of [3H]-ZM24135 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by scintillation counting |
CHEMBL3739367 |
| Adenosine A1 receptor |
EC50 |
= |
630957.34 |
nM |
Agonist activity at human Adenosine A1 receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphai1 after 16 hrs by beta galactosidase reporter gene assay |
CHEMBL3769381 |
| Adenosine A2a receptor |
EC50 |
= |
19952.62 |
nM |
Agonist activity at human Adenosine A2A receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas after 16 hrs by beta-galactosidase reporter gene assay |
CHEMBL3769381 |
| Adenosine A2b receptor |
EC50 |
= |
6309573.44 |
nM |
Agonist activity at human Adenosine A2B receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas after 16 hrs by beta-galactosidase reporter gene assay |
CHEMBL3769381 |
| Adenosine A1 receptor |
Emax |
= |
91.3 |
% |
Agonist activity at human Adenosine A1 receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphai1 after 16 hrs by beta galactosidase reporter gene assay relative to NECA |
CHEMBL3769381 |
| Adenosine A2a receptor |
Emax |
= |
121.7 |
% |
Agonist activity at human Adenosine A2A receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas after 16 hrs by beta-galactosidase reporter gene assay relative to NECA |
CHEMBL3769381 |
| Adenosine A2b receptor |
Emax |
= |
59.1 |
% |
Agonist activity at human Adenosine A2B receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas after 16 hrs by beta-galactosidase reporter gene assay relative to NECA |
CHEMBL3769381 |
| Adenosine A1 receptor |
pKA |
= |
2.1 |
|
Binding affinity to human Adenosine A1 receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphai1 |
CHEMBL3769381 |
| Adenosine A2a receptor |
pKA |
= |
4.9 |
|
Binding affinity to human Adenosine A2A receptor expressed in yeast cells coexpressed with GPA1/Galphas |
CHEMBL3769381 |
| Adenosine A2b receptor |
pKA |
= |
3.4 |
|
Binding affinity to human Adenosine A2B receptor expressed in yeast cells coexpressed with GPA1/Galphas |
CHEMBL3769381 |
| Adenosine A1 receptor |
log(activity) |
= |
1.1 |
|
Binding affinity to human Adenosine A1 receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphai1 relative to NECA |
CHEMBL3769381 |
| Adenosine A2a receptor |
log(activity) |
= |
-0.3 |
|
Binding affinity to human Adenosine A2A receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas relative to NECA |
CHEMBL3769381 |
| Adenosine A2b receptor |
log(activity) |
= |
-0.2 |
|
Binding affinity to human Adenosine A2B receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas relative to NECA |
CHEMBL3769381 |
| Adenosine A2a receptor |
Ki |
= |
27.0 |
nM |
Displacement of [3H]CGS21680 from human recombinant adenosine 2A receptor after 60 mins by gamma counting analysis |
CHEMBL3769306 |
| Adenosine A3 receptor |
Ki |
= |
67.0 |
nM |
Displacement of [125I]I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis |
CHEMBL3769306 |
| Adenosine A2a receptor |
koff |
|
0.02 |
min^-1 |
The binding kinetics for ZM241385 as determined by using radioligand association and dissociation assay. |
CHEMBL3885741 |
| Adenosine A2a receptor |
kon |
|
5e-05 |
nM^-1 min^-1 |
The binding kinetics for ZM241385 as determined by using radioligand association and dissociation assay. |
CHEMBL3885741 |
| Unchecked |
Activity |
|
|
|
Induction of adipogenesis in human bone marrow-derived mesenchymal stem cells assessed as increase in adiponectin production at 20.4 uM after 7 days in presence of IDX |
CHEMBL4017496 |
| Adenosine A2a receptor |
Ki |
= |
27.0 |
nM |
Agonist activity at human adenosine receptor A2A |
CHEMBL4351010 |
| Adenosine A1 receptor |
Ki |
= |
290.0 |
nM |
Agonist activity at human adenosine receptor A1 |
CHEMBL4351010 |
| Replicase polyprotein 1ab |
Inhibition |
= |
1.3 |
% |
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate |
CHEMBL4495564 |
| SARS-CoV-2 |
Inhibition |
= |
0.25 |
% |
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 |
= |
0.25 |
% |
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 |
| Adenosine A2a receptor |
EC50 |
= |
1.413 |
nM |
Partial agonist activity at human A2A receptor expressed in HEK293 cell membranes assessed as intrinsic activity by measuring cell index change within 60 mins by Label-Free Impedance-Based Assay |
CHEMBL5038576 |
| Adenosine A2a receptor |
Emax |
= |
100.0 |
% |
Partial agonist activity at human A2A receptor expressed in HEK293 cell membranes assessed as efficacy by Label-Free Impedance-Based Assay relative to control |
CHEMBL5038576 |
| Aorta |
IC50 |
= |
589.0 |
nM |
Induction of vasorelaxant activity in rat aortic rings |
CHEMBL5126505 |
