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PubMed code 12166943

Compile data set for download or QSAR
Found 81 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117223
PNG
(5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H18N6O/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19)
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 0.180n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.17-0.20

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117216
PNG
(5-Butyl-8-(4-propoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCCC)cc1
Show InChI InChI=1S/C19H22N6O/c1-3-5-6-15-22-18-16(20-12-21-18)19-23-17(24-25(15)19)13-7-9-14(10-8-13)26-11-4-2/h7-10,12H,3-6,11H2,1-2H3,(H,20,21)
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 0.510n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.35-0.74

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50053929
PNG
(CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)
Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)
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 0.650n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM85618
PNG
(CHEMBL302765 | J1.251.181G | MRE 3008F20)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
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 0.800n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.63-1.00

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117222
PNG
(5-Butyl-8-(4-ethoxy-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C18H20N6O/c1-3-5-6-14-21-17-15(19-11-20-17)18-22-16(23-24(14)18)12-7-9-13(10-8-12)25-4-2/h7-11H,3-6H2,1-2H3,(H,19,20)
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 0.900n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.58-1.40

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117215
PNG
(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6/c1-2-3-4-12-23-15-13(21-9-22-15)16-24-14(25-26(12)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,22)
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 0.950n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.72-1.24

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117239
PNG
(CHEMBL123462 | [4-(5-Butyl-3H-[1,2,4]triazolo[5,1-...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C18H21N7/c1-4-5-6-14-21-17-15(19-11-20-17)18-22-16(23-25(14)18)12-7-9-13(10-8-12)24(2)3/h7-11H,4-6H2,1-3H3,(H,19,20)
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 1.25n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.82-1.91

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50117215
PNG
(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6/c1-2-3-4-12-23-15-13(21-9-22-15)16-24-14(25-26(12)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,22)
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 4n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to human Adenosine A1 receptor expressed in CHO cells at 10000 nM

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50117215
PNG
(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6/c1-2-3-4-12-23-15-13(21-9-22-15)16-24-14(25-26(12)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,22)
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 6n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to human Adenosine A2B receptor expressed in HEK cells at 10000 nM

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50059375
PNG
(5-Amino-3-(4-methoxy-phenyl)-thiazolo[3,2-a]pyrimi...)
Show SMILES COc1ccc(cc1)-c1csc2nc(=O)cc(N)n12
Show InChI InChI=1S/C13H11N3O2S/c1-18-9-4-2-8(3-5-9)10-7-19-13-15-12(17)6-11(14)16(10)13/h2-7H,14H2,1H3
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 18n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50117216
PNG
(5-Butyl-8-(4-propoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCCC)cc1
Show InChI InChI=1S/C19H22N6O/c1-3-5-6-15-22-18-16(20-12-21-18)19-23-17(24-25(15)19)13-7-9-14(10-8-13)26-11-4-2/h7-10,12H,3-6,11H2,1-2H3,(H,20,21)
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 21n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to human Adenosine A2B receptor expressed in HEK cells at 10000 nM

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117215
PNG
(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6/c1-2-3-4-12-23-15-13(21-9-22-15)16-24-14(25-26(12)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,22)
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 31n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to human Adenosine A2a receptor expressed in HEK-293 cells at 10000 nM

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50117216
PNG
(5-Butyl-8-(4-propoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCCC)cc1
Show InChI InChI=1S/C19H22N6O/c1-3-5-6-15-22-18-16(20-12-21-18)19-23-17(24-25(15)19)13-7-9-14(10-8-13)26-11-4-2/h7-10,12H,3-6,11H2,1-2H3,(H,20,21)
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 32n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to human Adenosine A1 receptor expressed in CHO cells at 10000 nM

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117239
PNG
(CHEMBL123462 | [4-(5-Butyl-3H-[1,2,4]triazolo[5,1-...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C18H21N7/c1-4-5-6-14-21-17-15(19-11-20-17)18-22-16(23-25(14)18)12-7-9-13(10-8-12)24(2)3/h7-11H,4-6H2,1-3H3,(H,19,20)
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 49n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to human Adenosine A2a receptor expressed in HEK-293 cells at 10000 nM

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117216
PNG
(5-Butyl-8-(4-propoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCCC)cc1
Show InChI InChI=1S/C19H22N6O/c1-3-5-6-15-22-18-16(20-12-21-18)19-23-17(24-25(15)19)13-7-9-14(10-8-13)26-11-4-2/h7-10,12H,3-6,11H2,1-2H3,(H,20,21)
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 49n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to human Adenosine A2a receptor expressed in HEK-293 cells at 10000 nM

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50053929
PNG
(CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)
Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)
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 52n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to rat Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM85618
PNG
(CHEMBL302765 | J1.251.181G | MRE 3008F20)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
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 140n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells; Range 120-155

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50053929
PNG
(CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)
Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)
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 305n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat Adenosine A1 receptor expressed in CHO cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50117223
PNG
(5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H18N6O/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19)
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 398n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to human Adenosine A1 receptor expressed in CHO cells; Range 256-620

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50117222
PNG
(5-Butyl-8-(4-ethoxy-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C18H20N6O/c1-3-5-6-14-21-17-15(19-11-20-17)18-22-16(23-24(14)18)12-7-9-13(10-8-12)25-4-2/h7-11H,3-6H2,1-2H3,(H,19,20)
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 413n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to human Adenosine A1 receptor expressed in CHO cells; Range 335-509

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117222
PNG
(5-Butyl-8-(4-ethoxy-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C18H20N6O/c1-3-5-6-14-21-17-15(19-11-20-17)18-22-16(23-24(14)18)12-7-9-13(10-8-12)25-4-2/h7-11H,3-6H2,1-2H3,(H,19,20)
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 572n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to human Adenosine A2a receptor expressed in HEK-293 cells; Range 438-749

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50117222
PNG
(5-Butyl-8-(4-ethoxy-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C18H20N6O/c1-3-5-6-14-21-17-15(19-11-20-17)18-22-16(23-24(14)18)12-7-9-13(10-8-12)25-4-2/h7-11H,3-6H2,1-2H3,(H,19,20)
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 838n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to human Adenosine A2B receptor expressed in HEK cells; range 640-1100

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117223
PNG
(5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H18N6O/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19)
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 892n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to human Adenosine A2a receptor expressed in HEK-293 cells; Range 811-982

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50117223
PNG
(5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H18N6O/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19)
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 1.03E+3n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to human Adenosine A2B receptor expressed in HEK cells; Range 772-1390

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM85618
PNG
(CHEMBL302765 | J1.251.181G | MRE 3008F20)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
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 1.20E+3n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to human Adenosine A1 receptor expressed in CHO cells; Range 1030-1400

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50117239
PNG
(CHEMBL123462 | [4-(5-Butyl-3H-[1,2,4]triazolo[5,1-...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C18H21N7/c1-4-5-6-14-21-17-15(19-11-20-17)18-22-16(23-25(14)18)12-7-9-13(10-8-12)24(2)3/h7-11H,4-6H2,1-3H3,(H,19,20)
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 1.31E+3n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to human Adenosine A1 receptor expressed in CHO cells;Range 983-1730

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM85618
PNG
(CHEMBL302765 | J1.251.181G | MRE 3008F20)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
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 2.06E+3n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to human Adenosine A2B receptor expressed in HEK cells; Range 1640-2580

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50117239
PNG
(CHEMBL123462 | [4-(5-Butyl-3H-[1,2,4]triazolo[5,1-...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C18H21N7/c1-4-5-6-14-21-17-15(19-11-20-17)18-22-16(23-25(14)18)12-7-9-13(10-8-12)24(2)3/h7-11H,4-6H2,1-3H3,(H,19,20)
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 6.66E+3n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to human Adenosine A2B receptor expressed in HEK cells; Range 3580-12400

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50059375
PNG
(5-Amino-3-(4-methoxy-phenyl)-thiazolo[3,2-a]pyrimi...)
Show SMILES COc1ccc(cc1)-c1csc2nc(=O)cc(N)n12
Show InChI InChI=1S/C13H11N3O2S/c1-18-9-4-2-8(3-5-9)10-7-19-13-15-12(17)6-11(14)16(10)13/h2-7H,14H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50059375
PNG
(5-Amino-3-(4-methoxy-phenyl)-thiazolo[3,2-a]pyrimi...)
Show SMILES COc1ccc(cc1)-c1csc2nc(=O)cc(N)n12
Show InChI InChI=1S/C13H11N3O2S/c1-18-9-4-2-8(3-5-9)10-7-19-13-15-12(17)6-11(14)16(10)13/h2-7H,14H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to human Adenosine A1 receptor expressed in CHO cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117222
PNG
(5-Butyl-8-(4-ethoxy-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C18H20N6O/c1-3-5-6-14-21-17-15(19-11-20-17)18-22-16(23-24(14)18)12-7-9-13(10-8-12)25-4-2/h7-11H,3-6H2,1-2H3,(H,19,20)
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n/an/a 0.210n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117214
PNG
(5-Butyl-8-(3-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(OC)c1
Show InChI InChI=1S/C17H18N6O/c1-3-4-8-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-5-7-12(9-11)24-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19)
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n/an/a 0.220n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117234
PNG
(8-Phenyl-5-propyl-3H-[1,2,4]triazolo[5,1-i]purine ...)
Show SMILES CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C15H14N6/c1-2-6-11-18-14-12(16-9-17-14)15-19-13(20-21(11)15)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,16,17)
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n/an/a 0.230n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117231
PNG
(5-Butyl-8-(4-fluoro-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(F)cc1
Show InChI InChI=1S/C16H15FN6/c1-2-3-4-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,19)
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n/an/a 0.25n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117232
PNG
(5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18)
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n/an/a 0.25n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117226
PNG
(5-Butyl-8-m-tolyl-3H-[1,2,4]triazolo[5,1-i]purine ...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(C)c1
Show InChI InChI=1S/C17H18N6/c1-3-4-8-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)12-7-5-6-11(2)9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19)
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n/an/a 0.270n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117217
PNG
(5-Butyl-8-(2-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1Cl
Show InChI InChI=1S/C16H15ClN6/c1-2-3-8-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-6-4-5-7-11(10)17/h4-7,9H,2-3,8H2,1H3,(H,18,19)
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n/an/a 0.290n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117216
PNG
(5-Butyl-8-(4-propoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCCC)cc1
Show InChI InChI=1S/C19H22N6O/c1-3-5-6-15-22-18-16(20-12-21-18)19-23-17(24-25(15)19)13-7-9-14(10-8-13)26-11-4-2/h7-10,12H,3-6,11H2,1-2H3,(H,20,21)
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n/an/a 0.300n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117228
PNG
(5-Pentyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine ...)
Show SMILES CCCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C17H18N6/c1-2-3-5-10-13-20-16-14(18-11-19-16)17-21-15(22-23(13)17)12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3,(H,18,19)
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n/an/a 0.300n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117225
PNG
(5-Butyl-8-p-tolyl-3H-[1,2,4]triazolo[5,1-i]purine ...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(C)cc1
Show InChI InChI=1S/C17H18N6/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)12-8-6-11(2)7-9-12/h6-10H,3-5H2,1-2H3,(H,18,19)
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n/an/a 0.330n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117238
PNG
(5-Butyl-8-(4-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN6/c1-2-3-4-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,19)
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n/an/a 0.410n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117237
PNG
(5,8-Diphenyl-3H-[1,2,4]triazolo[5,1-i]purine | CHE...)
Show SMILES c1nc2c(nc(-c3ccccc3)n3nc(nc23)-c2ccccc2)[nH]1
Show InChI InChI=1S/C18H12N6/c1-3-7-12(8-4-1)15-21-18-14-16(20-11-19-14)22-17(24(18)23-15)13-9-5-2-6-10-13/h1-11H,(H,19,20)
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n/an/a 0.410n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117220
PNG
(5-Ethyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C14H12N6/c1-2-10-17-13-11(15-8-16-13)14-18-12(19-20(10)14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,16)
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n/an/a 0.450n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117215
PNG
(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6/c1-2-3-4-12-23-15-13(21-9-22-15)16-24-14(25-26(12)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,22)
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n/an/a 0.610n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 from human Adenosine A3 receptor expressed in HEK-293 cells at 10000 nM

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117221
PNG
(5-Hexyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCCCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C18H20N6/c1-2-3-4-8-11-14-21-17-15(19-12-20-17)18-22-16(23-24(14)18)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,19,20)
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n/an/a 0.610n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117239
PNG
(CHEMBL123462 | [4-(5-Butyl-3H-[1,2,4]triazolo[5,1-...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C18H21N7/c1-4-5-6-14-21-17-15(19-11-20-17)18-22-16(23-25(14)18)12-7-9-13(10-8-12)24(2)3/h7-11H,4-6H2,1-3H3,(H,19,20)
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n/an/a 0.670n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117230
PNG
(5-Methyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine ...)
Show SMILES Cc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C13H10N6/c1-8-16-12-10(14-7-15-12)13-17-11(18-19(8)13)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
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n/an/a 1n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117236
PNG
(5-Butyl-8-(3,4,5-trimethoxy-phenyl)-3H-[1,2,4]tria...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H22N6O3/c1-5-6-7-14-22-18-15(20-10-21-18)19-23-17(24-25(14)19)11-8-12(26-2)16(28-4)13(9-11)27-3/h8-10H,5-7H2,1-4H3,(H,20,21)
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n/an/a 1.10n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117227
PNG
(5-Butyl-8-(3-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H15ClN6/c1-2-3-7-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-4-6-11(17)8-10/h4-6,8-9H,2-3,7H2,1H3,(H,18,19)
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n/an/a 1.10n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117233
PNG
(5-Butyl-8-(4-tert-butyl-phenyl)-3H-[1,2,4]triazolo...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H24N6/c1-5-6-7-15-23-18-16(21-12-22-18)19-24-17(25-26(15)19)13-8-10-14(11-9-13)20(2,3)4/h8-12H,5-7H2,1-4H3,(H,21,22)
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n/an/a 1.20n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117242
PNG
(5-Butyl-8-pyridin-3-yl-3H-[1,2,4]triazolo[5,1-i]pu...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccnc1
Show InChI InChI=1S/C15H15N7/c1-2-3-6-11-19-14-12(17-9-18-14)15-20-13(21-22(11)15)10-5-4-7-16-8-10/h4-5,7-9H,2-3,6H2,1H3,(H,17,18)
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n/an/a 1.20n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117224
PNG
(4-(5-Butyl-3H-[1,2,4]triazolo[5,1-i]purin-8-yl)-ph...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(O)cc1
Show InChI InChI=1S/C16H16N6O/c1-2-3-4-12-19-15-13(17-9-18-15)16-20-14(21-22(12)16)10-5-7-11(23)8-6-10/h5-9,23H,2-4H2,1H3,(H,17,18)
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n/an/a 1.80n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117241
PNG
(8-(4-Bromo-phenyl)-5-butyl-3H-[1,2,4]triazolo[5,1-...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H15BrN6/c1-2-3-4-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,19)
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n/an/a 1.90n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117235
PNG
(5-Butyl-8-(4-methylsulfanyl-phenyl)-3H-[1,2,4]tria...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(SC)cc1
Show InChI InChI=1S/C17H18N6S/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19)
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n/an/a 3.30n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117219
PNG
(8-Biphenyl-4-yl-5-butyl-3H-[1,2,4]triazolo[5,1-i]p...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H20N6/c1-2-3-9-18-25-21-19(23-14-24-21)22-26-20(27-28(18)22)17-12-10-16(11-13-17)15-7-5-4-6-8-15/h4-8,10-14H,2-3,9H2,1H3,(H,23,24)
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n/an/a 5n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117240
PNG
(5-Butyl-8-furan-2-yl-3H-[1,2,4]triazolo[5,1-i]puri...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C14H14N6O/c1-2-3-6-10-17-13-11(15-8-16-13)14-18-12(19-20(10)14)9-5-4-7-21-9/h4-5,7-8H,2-3,6H2,1H3,(H,15,16)
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n/an/a 5.90n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117217
PNG
(5-Butyl-8-(2-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1Cl
Show InChI InChI=1S/C16H15ClN6/c1-2-3-8-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-6-4-5-7-11(10)17/h4-7,9H,2-3,8H2,1H3,(H,18,19)
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n/an/a 18n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117237
PNG
(5,8-Diphenyl-3H-[1,2,4]triazolo[5,1-i]purine | CHE...)
Show SMILES c1nc2c(nc(-c3ccccc3)n3nc(nc23)-c2ccccc2)[nH]1
Show InChI InChI=1S/C18H12N6/c1-3-7-12(8-4-1)15-21-18-14-16(20-11-19-14)22-17(24(18)23-15)13-9-5-2-6-10-13/h1-11H,(H,19,20)
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n/an/a 23n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117218
PNG
(5-Butyl-8-methyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCCCc1nc2ncnc2c2nc(C)[nH]n12
Show InChI InChI=1S/C11H14N6/c1-3-4-5-8-15-10-9(12-6-13-10)11-14-7(2)16-17(8)11/h6H,3-5H2,1-2H3,(H,14,16)
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n/an/a 46n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117229
PNG
(8-Benzyl-5-butyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCCCc1nc2ncnc2c2nc(Cc3ccccc3)[nH]n12
Show InChI InChI=1S/C17H18N6/c1-2-3-9-14-21-16-15(18-11-19-16)17-20-13(22-23(14)17)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,20,22)
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n/an/a 47n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117227
PNG
(5-Butyl-8-(3-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H15ClN6/c1-2-3-7-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-4-6-11(17)8-10/h4-6,8-9H,2-3,7H2,1H3,(H,18,19)
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n/an/a 56n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117224
PNG
(4-(5-Butyl-3H-[1,2,4]triazolo[5,1-i]purin-8-yl)-ph...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(O)cc1
Show InChI InChI=1S/C16H16N6O/c1-2-3-4-12-19-15-13(17-9-18-15)16-20-14(21-22(12)16)10-5-7-11(23)8-6-10/h5-9,23H,2-4H2,1H3,(H,17,18)
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n/an/a 58n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117214
PNG
(5-Butyl-8-(3-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(OC)c1
Show InChI InChI=1S/C17H18N6O/c1-3-4-8-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-5-7-12(9-11)24-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19)
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n/an/a 67n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117232
PNG
(5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18)
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n/an/a 71n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117234
PNG
(8-Phenyl-5-propyl-3H-[1,2,4]triazolo[5,1-i]purine ...)
Show SMILES CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C15H14N6/c1-2-6-11-18-14-12(16-9-17-14)15-19-13(20-21(11)15)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,16,17)
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n/an/a 120n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117225
PNG
(5-Butyl-8-p-tolyl-3H-[1,2,4]triazolo[5,1-i]purine ...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(C)cc1
Show InChI InChI=1S/C17H18N6/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)12-8-6-11(2)7-9-12/h6-10H,3-5H2,1-2H3,(H,18,19)
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n/an/a 180n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117226
PNG
(5-Butyl-8-m-tolyl-3H-[1,2,4]triazolo[5,1-i]purine ...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(C)c1
Show InChI InChI=1S/C17H18N6/c1-3-4-8-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)12-7-5-6-11(2)9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19)
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n/an/a 188n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117228
PNG
(5-Pentyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine ...)
Show SMILES CCCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C17H18N6/c1-2-3-5-10-13-20-16-14(18-11-19-16)17-21-15(22-23(13)17)12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3,(H,18,19)
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n/an/a 200n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117240
PNG
(5-Butyl-8-furan-2-yl-3H-[1,2,4]triazolo[5,1-i]puri...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C14H14N6O/c1-2-3-6-10-17-13-11(15-8-16-13)14-18-12(19-20(10)14)9-5-4-7-21-9/h4-5,7-8H,2-3,6H2,1H3,(H,15,16)
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n/an/a 210n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117220
PNG
(5-Ethyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C14H12N6/c1-2-10-17-13-11(15-8-16-13)14-18-12(19-20(10)14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,16)
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n/an/a 360n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117231
PNG
(5-Butyl-8-(4-fluoro-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(F)cc1
Show InChI InChI=1S/C16H15FN6/c1-2-3-4-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,19)
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n/an/a 510n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117230
PNG
(5-Methyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine ...)
Show SMILES Cc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C13H10N6/c1-8-16-12-10(14-7-15-12)13-17-11(18-19(8)13)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
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n/an/a 550n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117218
PNG
(5-Butyl-8-methyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCCCc1nc2ncnc2c2nc(C)[nH]n12
Show InChI InChI=1S/C11H14N6/c1-3-4-5-8-15-10-9(12-6-13-10)11-14-7(2)16-17(8)11/h6H,3-5H2,1-2H3,(H,14,16)
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n/an/a 610n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117229
PNG
(8-Benzyl-5-butyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCCCc1nc2ncnc2c2nc(Cc3ccccc3)[nH]n12
Show InChI InChI=1S/C17H18N6/c1-2-3-9-14-21-16-15(18-11-19-16)17-20-13(22-23(14)17)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,20,22)
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n/an/a 680n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117242
PNG
(5-Butyl-8-pyridin-3-yl-3H-[1,2,4]triazolo[5,1-i]pu...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccnc1
Show InChI InChI=1S/C15H15N7/c1-2-3-6-11-19-14-12(17-9-18-14)15-20-13(21-22(11)15)10-5-4-7-16-8-10/h4-5,7-9H,2-3,6H2,1H3,(H,17,18)
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n/an/a 900n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117223
PNG
(5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H18N6O/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117236
PNG
(5-Butyl-8-(3,4,5-trimethoxy-phenyl)-3H-[1,2,4]tria...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H22N6O3/c1-5-6-7-14-22-18-15(20-10-21-18)19-23-17(24-25(14)19)11-8-12(26-2)16(28-4)13(9-11)27-3/h8-10H,5-7H2,1-4H3,(H,20,21)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117238
PNG
(5-Butyl-8-(4-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN6/c1-2-3-4-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,19)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117241
PNG
(8-(4-Bromo-phenyl)-5-butyl-3H-[1,2,4]triazolo[5,1-...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H15BrN6/c1-2-3-4-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,19)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117222
PNG
(5-Butyl-8-(4-ethoxy-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C18H20N6O/c1-3-5-6-14-21-17-15(19-11-20-17)18-22-16(23-24(14)18)12-7-9-13(10-8-12)25-4-2/h7-11H,3-6H2,1-2H3,(H,19,20)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50117221
PNG
(5-Hexyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCCCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C18H20N6/c1-2-3-4-8-11-14-21-17-15(19-12-20-17)18-22-16(23-24(14)18)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,19,20)
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n/an/a 7.80E+3n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%