Compile Data Set for Download or QSAR
Report error Found 41 Enz. Inhib. hit(s) with all data for entry = 50036537
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50004566(CHEMBL268431 | 9-chloro-2-(furan-2-yl)-[1,2,4]tria...)
Affinity DataKi:  0.140nMAssay Description:Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50004566(CHEMBL268431 | 9-chloro-2-(furan-2-yl)-[1,2,4]tria...)
Affinity DataKi:  0.460nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (H250N) using [3H]-CGS-21,680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50004566(CHEMBL268431 | 9-chloro-2-(furan-2-yl)-[1,2,4]tria...)
Affinity DataKi:  0.840nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (V84L), using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM35804(3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...)
Affinity DataKd:  4.30nMpH: 5.5Assay Description:Saturation binding of mutant human Adenosine A2A receptor (H250N) at pH 5.5More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM21220(CHEMBL464859 | N-Ethylcarboxamidoadenosine | Adeno...)
Affinity DataKi:  5.20nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (H250N) using [3H]-CGS-21,680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM35804(3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...)
Affinity DataKd:  7.60nMpH: 6.8Assay Description:Saturation binding of human Adenosine A2A receptor (H250N) at pH 6.8More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM35804(3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...)
Affinity DataKd:  7.60nMAssay Description:Kd in saturation experiments using [3H]CGS-21680 at H250N mutant receptor in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50207816(N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...)
Affinity DataKi:  7.90nMAssay Description:Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM35804(3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...)
Affinity DataKd:  12nMpH: 7.5Assay Description:Saturation binding of human Adenosine A2A receptor H250N at pH 7.5More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50207816(N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...)
Affinity DataKi:  16nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (H250N) using [3H]-CGS-21,680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50452520(CHEMBL2094089 | N6-[2-(3,5-dimethoxyphenyl)-2-(2-m...)
Affinity DataKi:  19nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (V84L), using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM21220(CHEMBL464859 | N-Ethylcarboxamidoadenosine | Adeno...)
Affinity DataKi:  22nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (V84L), using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM21220(CHEMBL464859 | N-Ethylcarboxamidoadenosine | Adeno...)
Affinity DataKi:  22nMAssay Description:Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM35804(3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...)
Affinity DataKd:  22nMpH: 5.5Assay Description:Saturation binding characteristics of wild type human Adenosine A2A receptor at pH 5.5More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM35804(3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...)
Affinity DataKd:  27nMAssay Description:Kd in saturation experiments using [3H]CGS-21680 at V84L mutant receptor in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50118812(CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...)
Affinity DataKi:  32nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (H250N) using [3H]-CGS-21,680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM35804(3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...)
Affinity DataKd:  36nMpH: 6.8Assay Description:Saturation binding of wild type human Adenosine A2A receptor at pH 6.8More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50452520(CHEMBL2094089 | N6-[2-(3,5-dimethoxyphenyl)-2-(2-m...)
Affinity DataKi:  36nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (H250N) using [3H]-CGS-21,680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM35804(3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...)
Affinity DataKd:  36nMAssay Description:Kd in saturation experiments using [3H]CGS-21680 at WT receptor in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50452520(CHEMBL2094089 | N6-[2-(3,5-dimethoxyphenyl)-2-(2-m...)
Affinity DataKi:  38nMAssay Description:Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50207816(N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...)
Affinity DataKi:  46nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (V84L), using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM35804(3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...)
Affinity DataKd:  74nMpH: 7.5Assay Description:Saturation binding characteristics of wild type human Adenosine A2A receptor at pH 7.5More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM35804(3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...)
Affinity DataKd:  99nMpH: 8.4Assay Description:Saturation binding of human Adenosine A2A receptor H250N at pH 8.4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50118812(CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...)
Affinity DataKi:  143nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (V84L), using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM21173(DPCPX | CHEMBL183 | 8-cyclopentyl-1,3-dipropyl-2,3...)
Affinity DataKi:  226nMAssay Description:Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM21173(DPCPX | CHEMBL183 | 8-cyclopentyl-1,3-dipropyl-2,3...)
Affinity DataKi:  291nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (H250N) using [3H]-CGS-21,680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50118812(CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...)
Affinity DataKi:  370nMAssay Description:Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM35804(3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...)
Affinity DataKd:  632nMpH: 8.4Assay Description:Saturation binding of wild type human Adenosine A2A receptor at pH 8.4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM21173(DPCPX | CHEMBL183 | 8-cyclopentyl-1,3-dipropyl-2,3...)
Affinity DataKi:  788nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (V84L), using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM16173(3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-car...)
Affinity DataKi:  3.28E+3nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (H250N) using [3H]-CGS-21,680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM16173(3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-car...)
Affinity DataKi:  1.16E+4nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (V84L), using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM16173(3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-car...)
Affinity DataKi:  1.20E+4nMAssay Description:Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50049391(norizalpinin | 3,5,7-trihydroxy-2-phenyl-4H-benzop...)
Affinity DataKi:  1.67E+4nMAssay Description:Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50049391(norizalpinin | 3,5,7-trihydroxy-2-phenyl-4H-benzop...)
Affinity DataKi:  1.81E+4nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (V84L), using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  2.22E+4nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (H250N) using [3H]-CGS-21,680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  2.22E+4nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (V84L), using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50049391(norizalpinin | 3,5,7-trihydroxy-2-phenyl-4H-benzop...)
Affinity DataKi:  3.30E+4nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (H250N) using [3H]-CGS-21,680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50048454(3-Benzylsulfanyl-4-oxo-4,5,6,7-tetrahydro-benzo[c]...)
Affinity DataKi:  5.43E+4nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (H250N) using [3H]-CGS-21,680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50048454(3-Benzylsulfanyl-4-oxo-4,5,6,7-tetrahydro-benzo[c]...)
Affinity DataKi:  7.26E+4nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (V84L), using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50048454(3-Benzylsulfanyl-4-oxo-4,5,6,7-tetrahydro-benzo[c]...)
Affinity DataKi:  1.06E+5nMAssay Description:Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  2.44E+5nMAssay Description:Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed