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PubMed code 12270178

Compile data set for download or QSAR
Found 74 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 A2a


(Rattus norvegicus (rat))		BDBM50119168
PNG
((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
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 2.20n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119153
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-((E)-hex-1-enyl)-purin-...)
Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H23N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h5-6,8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/b6-5+/t9-,12-,13-,16-/m1/s1
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 14n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119134
PNG
((2R,3R,4S,5R)-2-(6-Amino-2-{N'-[1-cyclohexyl-meth-...)
Show SMILES Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |w:5.5|
Show InChI InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1
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 20n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A2A receptor

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119165
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES CCCNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H22N8O5/c1-2-3-19-15(29)8-4-21-25(5-8)17-22-13(18)10-14(23-17)24(7-20-10)16-12(28)11(27)9(6-26)30-16/h4-5,7,9,11-12,16,26-28H,2-3,6H2,1H3,(H,19,29)(H2,18,22,23)/t9-,11-,12-,16-/m1/s1
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 50n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119131
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NC1CCCC1
Show InChI InChI=1S/C19H24N8O5/c20-15-12-16(26(8-21-12)18-14(30)13(29)11(7-28)32-18)25-19(24-15)27-6-9(5-22-27)17(31)23-10-3-1-2-4-10/h5-6,8,10-11,13-14,18,28-30H,1-4,7H2,(H,23,31)(H2,20,24,25)/t11-,13-,14-,18-/m1/s1
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 60n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119142
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES CCOC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H19N7O6/c1-2-28-15(27)7-3-19-23(4-7)16-20-12(17)9-13(21-16)22(6-18-9)14-11(26)10(25)8(5-24)29-14/h3-4,6,8,10-11,14,24-26H,2,5H2,1H3,(H2,17,20,21)/t8-,10-,11-,14-/m1/s1
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 60n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119152
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES CCNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H20N8O5/c1-2-18-14(28)7-3-20-24(4-7)16-21-12(17)9-13(22-16)23(6-19-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,2,5H2,1H3,(H,18,28)(H2,17,21,22)/t8-,10-,11-,15-/m1/s1
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 60n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119134
PNG
((2R,3R,4S,5R)-2-(6-Amino-2-{N'-[1-cyclohexyl-meth-...)
Show SMILES Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |w:5.5|
Show InChI InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1
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 66n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119165
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES CCCNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H22N8O5/c1-2-3-19-15(29)8-4-21-25(5-8)17-22-13(18)10-14(23-17)24(7-20-10)16-12(28)11(27)9(6-26)30-16/h4-5,7,9,11-12,16,26-28H,2-3,6H2,1H3,(H,19,29)(H2,18,22,23)/t9-,11-,12-,16-/m1/s1
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 120n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119167
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES CN(C)C(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H20N8O5/c1-22(2)14(28)7-3-19-24(4-7)16-20-12(17)9-13(21-16)23(6-18-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,5H2,1-2H3,(H2,17,20,21)/t8-,10-,11-,15-/m1/s1
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 140n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119149
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(4-p-tolyl-pyrazol-1-yl...)
Show SMILES Cc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C20H21N7O4/c1-10-2-4-11(5-3-10)12-6-23-27(7-12)20-24-17(21)14-18(25-20)26(9-22-14)19-16(30)15(29)13(8-28)31-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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 190n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119144
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[4-(4-methoxy-phenyl)-p...)
Show SMILES COc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C20H21N7O5/c1-31-12-4-2-10(3-5-12)11-6-23-27(7-11)20-24-17(21)14-18(25-20)26(9-22-14)19-16(30)15(29)13(8-28)32-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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 190n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119161
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN8O5/c22-12-3-1-10(2-4-12)5-24-19(34)11-6-26-30(7-11)21-27-17(23)14-18(28-21)29(9-25-14)20-16(33)15(32)13(8-31)35-20/h1-4,6-7,9,13,15-16,20,31-33H,5,8H2,(H,24,34)(H2,23,27,28)/t13-,15-,16-,20-/m1/s1
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 210n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119141
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1-cyclohexylmethyl-1H-...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CC2CCCCC2)c1
Show InChI InChI=1S/C20H27N7O4/c21-17-14-19(27(10-22-14)20-16(30)15(29)13(9-28)31-20)25-18(24-17)12-6-23-26(8-12)7-11-4-2-1-3-5-11/h6,8,10-11,13,15-16,20,28-30H,1-5,7,9H2,(H2,21,24,25)/t13-,15-,16-,20-/m1/s1
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 220n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119132
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1
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 290n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119164
PNG
(({1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydr...)
Show SMILES CCOC(=O)CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H22N8O7/c1-2-32-10(28)4-20-16(31)8-3-22-26(5-8)18-23-14(19)11-15(24-18)25(7-21-11)17-13(30)12(29)9(6-27)33-17/h3,5,7,9,12-13,17,27,29-30H,2,4,6H2,1H3,(H,20,31)(H2,19,23,24)/t9-,12-,13-,17-/m1/s1
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 290n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119138
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES NC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C14H16N8O5/c15-10-7-12(20-14(19-10)22-2-5(1-18-22)11(16)26)21(4-17-7)13-9(25)8(24)6(3-23)27-13/h1-2,4,6,8-9,13,23-25H,3H2,(H2,16,26)(H2,15,19,20)/t6-,8-,9-,13-/m1/s1
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 350n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119131
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NC1CCCC1
Show InChI InChI=1S/C19H24N8O5/c20-15-12-16(26(8-21-12)18-14(30)13(29)11(7-28)32-18)25-19(24-15)27-6-9(5-22-27)17(31)23-10-3-1-2-4-10/h5-6,8,10-11,13-14,18,28-30H,1-4,7H2,(H,23,31)(H2,20,24,25)/t11-,13-,14-,18-/m1/s1
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 380n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119152
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES CCNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H20N8O5/c1-2-18-14(28)7-3-20-24(4-7)16-21-12(17)9-13(22-16)23(6-19-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,2,5H2,1H3,(H,18,28)(H2,17,21,22)/t8-,10-,11-,15-/m1/s1
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 380n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119166
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[4-(4-chloro-phenyl)-py...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18ClN7O4/c20-11-3-1-9(2-4-11)10-5-23-27(6-10)19-24-16(21)13-17(25-19)26(8-22-13)18-15(30)14(29)12(7-28)31-18/h1-6,8,12,14-15,18,28-30H,7H2,(H2,21,24,25)/t12-,14-,15-,18-/m1/s1
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 390n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119167
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES CN(C)C(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H20N8O5/c1-22(2)14(28)7-3-19-24(4-7)16-20-12(17)9-13(21-16)23(6-18-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,5H2,1-2H3,(H2,17,20,21)/t8-,10-,11-,15-/m1/s1
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 440n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119151
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1-pent-4-enyl-1H-pyraz...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCCC=C)c1
Show InChI InChI=1S/C18H23N7O4/c1-2-3-4-5-24-7-10(6-21-24)16-22-15(19)12-17(23-16)25(9-20-12)18-14(28)13(27)11(8-26)29-18/h2,6-7,9,11,13-14,18,26-28H,1,3-5,8H2,(H2,19,22,23)/t11-,13-,14-,18-/m1/s1
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 470n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119149
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(4-p-tolyl-pyrazol-1-yl...)
Show SMILES Cc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C20H21N7O4/c1-10-2-4-11(5-3-10)12-6-23-27(7-12)20-24-17(21)14-18(25-20)26(9-22-14)19-16(30)15(29)13(8-28)31-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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 490n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119144
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[4-(4-methoxy-phenyl)-p...)
Show SMILES COc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C20H21N7O5/c1-31-12-4-2-10(3-5-12)11-6-23-27(7-11)20-24-17(21)14-18(25-20)26(9-22-14)19-16(30)15(29)13(8-28)32-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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 560n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119161
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN8O5/c22-12-3-1-10(2-4-12)5-24-19(34)11-6-26-30(7-11)21-27-17(23)14-18(28-21)29(9-25-14)20-16(33)15(32)13(8-31)35-20/h1-4,6-7,9,13,15-16,20,31-33H,5,8H2,(H,24,34)(H2,23,27,28)/t13-,15-,16-,20-/m1/s1
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 710n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119141
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1-cyclohexylmethyl-1H-...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CC2CCCCC2)c1
Show InChI InChI=1S/C20H27N7O4/c21-17-14-19(27(10-22-14)20-16(30)15(29)13(9-28)31-20)25-18(24-17)12-6-23-26(8-12)7-11-4-2-1-3-5-11/h6,8,10-11,13,15-16,20,28-30H,1-5,7,9H2,(H2,21,24,25)/t13-,15-,16-,20-/m1/s1
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 880n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119164
PNG
(({1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydr...)
Show SMILES CCOC(=O)CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H22N8O7/c1-2-32-10(28)4-20-16(31)8-3-22-26(5-8)18-23-14(19)11-15(24-18)25(7-21-11)17-13(30)12(29)9(6-27)33-17/h3,5,7,9,12-13,17,27,29-30H,2,4,6H2,1H3,(H,20,31)(H2,19,23,24)/t9-,12-,13-,17-/m1/s1
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 980n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119169
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[1-(2-cyclohexyl-ethyl)...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCC2CCCCC2)c1
Show InChI InChI=1S/C21H29N7O4/c22-18-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-19(25-18)13-8-24-27(9-13)7-6-12-4-2-1-3-5-12/h8-9,11-12,14,16-17,21,29-31H,1-7,10H2,(H2,22,25,26)/t14-,16-,17-,21-/m1/s1
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 1.10E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119132
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1
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 1.12E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119166
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[4-(4-chloro-phenyl)-py...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18ClN7O4/c20-11-3-1-9(2-4-11)10-5-23-27(6-10)19-24-16(21)13-17(25-19)26(8-22-13)18-15(30)14(29)12(7-28)31-18/h1-6,8,12,14-15,18,28-30H,7H2,(H2,21,24,25)/t12-,14-,15-,18-/m1/s1
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 1.12E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119133
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[1-(3-phenyl-propyl)-1H...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCCc2ccccc2)c1
Show InChI InChI=1S/C22H25N7O4/c23-19-16-21(29(12-24-16)22-18(32)17(31)15(11-30)33-22)27-20(26-19)14-9-25-28(10-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,15,17-18,22,30-32H,4,7-8,11H2,(H2,23,26,27)/t15-,17-,18-,22-/m1/s1
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 1.28E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119142
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES CCOC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H19N7O6/c1-2-28-15(27)7-3-19-23(4-7)16-20-12(17)9-13(21-16)22(6-18-9)14-11(26)10(25)8(5-24)29-14/h3-4,6,8,10-11,14,24-26H,2,5H2,1H3,(H2,17,20,21)/t8-,10-,11-,14-/m1/s1
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 1.28E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119138
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES NC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C14H16N8O5/c15-10-7-12(20-14(19-10)22-2-5(1-18-22)11(16)26)21(4-17-7)13-9(25)8(24)6(3-23)27-13/h1-2,4,6,8-9,13,23-25H,3H2,(H2,16,26)(H2,15,19,20)/t6-,8-,9-,13-/m1/s1
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 1.35E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119148
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1-benzyl-1H-pyrazol-4-...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C20H21N7O4/c21-17-14-19(27(10-22-14)20-16(30)15(29)13(9-28)31-20)25-18(24-17)12-6-23-26(8-12)7-11-4-2-1-3-5-11/h1-6,8,10,13,15-16,20,28-30H,7,9H2,(H2,21,24,25)/t13-,15-,16-,20-/m1/s1
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 1.58E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119148
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1-benzyl-1H-pyrazol-4-...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C20H21N7O4/c21-17-14-19(27(10-22-14)20-16(30)15(29)13(9-28)31-20)25-18(24-17)12-6-23-26(8-12)7-11-4-2-1-3-5-11/h1-6,8,10,13,15-16,20,28-30H,7,9H2,(H2,21,24,25)/t13-,15-,16-,20-/m1/s1
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 1.61E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119133
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[1-(3-phenyl-propyl)-1H...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCCc2ccccc2)c1
Show InChI InChI=1S/C22H25N7O4/c23-19-16-21(29(12-24-16)22-18(32)17(31)15(11-30)33-22)27-20(26-19)14-9-25-28(10-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,15,17-18,22,30-32H,4,7-8,11H2,(H2,23,26,27)/t15-,17-,18-,22-/m1/s1
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 1.66E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119151
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1-pent-4-enyl-1H-pyraz...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCCC=C)c1
Show InChI InChI=1S/C18H23N7O4/c1-2-3-4-5-24-7-10(6-21-24)16-22-15(19)12-17(23-16)25(9-20-12)18-14(28)13(27)11(8-26)29-18/h2,6-7,9,11,13-14,18,26-28H,1,3-5,8H2,(H2,19,22,23)/t11-,13-,14-,18-/m1/s1
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 1.71E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119150
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1-pentyl-1H-pyrazol-4-...)
Show SMILES CCCCCn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H25N7O4/c1-2-3-4-5-24-7-10(6-21-24)16-22-15(19)12-17(23-16)25(9-20-12)18-14(28)13(27)11(8-26)29-18/h6-7,9,11,13-14,18,26-28H,2-5,8H2,1H3,(H2,19,22,23)/t11-,13-,14-,18-/m1/s1
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 2.14E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119157
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1-phenethyl-1H-pyrazol...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCc2ccccc2)c1
Show InChI InChI=1S/C21H23N7O4/c22-18-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-19(25-18)13-8-24-27(9-13)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,14,16-17,21,29-31H,6-7,10H2,(H2,22,25,26)/t14-,16-,17-,21-/m1/s1
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 2.26E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119160
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[1-(4-tert-butyl-benzyl...)
Show SMILES CC(C)(C)c1ccc(Cn2cc(cn2)-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C24H29N7O4/c1-24(2,3)15-6-4-13(5-7-15)9-30-10-14(8-27-30)21-28-20(25)17-22(29-21)31(12-26-17)23-19(34)18(33)16(11-32)35-23/h4-8,10,12,16,18-19,23,32-34H,9,11H2,1-3H3,(H2,25,28,29)/t16-,18-,19-,23-/m1/s1
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 2.42E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119150
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1-pentyl-1H-pyrazol-4-...)
Show SMILES CCCCCn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H25N7O4/c1-2-3-4-5-24-7-10(6-21-24)16-22-15(19)12-17(23-16)25(9-20-12)18-14(28)13(27)11(8-26)29-18/h6-7,9,11,13-14,18,26-28H,2-5,8H2,1H3,(H2,19,22,23)/t11-,13-,14-,18-/m1/s1
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 2.59E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119156
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[1-(3-cyclohexyl-propyl...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCCC2CCCCC2)c1
Show InChI InChI=1S/C22H31N7O4/c23-19-16-21(29(12-24-16)22-18(32)17(31)15(11-30)33-22)27-20(26-19)14-9-25-28(10-14)8-4-7-13-5-2-1-3-6-13/h9-10,12-13,15,17-18,22,30-32H,1-8,11H2,(H2,23,26,27)/t15-,17-,18-,22-/m1/s1
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 2.62E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119169
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[1-(2-cyclohexyl-ethyl)...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCC2CCCCC2)c1
Show InChI InChI=1S/C21H29N7O4/c22-18-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-19(25-18)13-8-24-27(9-13)7-6-12-4-2-1-3-5-12/h8-9,11-12,14,16-17,21,29-31H,1-7,10H2,(H2,22,25,26)/t14-,16-,17-,21-/m1/s1
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 3.43E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119143
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1-isopropyl-1H-pyrazol...)
Show SMILES CC(C)n1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N7O4/c1-7(2)23-4-8(3-19-23)14-20-13(17)10-15(21-14)22(6-18-10)16-12(26)11(25)9(5-24)27-16/h3-4,6-7,9,11-12,16,24-26H,5H2,1-2H3,(H2,17,20,21)/t9-,11-,12-,16-/m1/s1
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 3.88E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119160
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[1-(4-tert-butyl-benzyl...)
Show SMILES CC(C)(C)c1ccc(Cn2cc(cn2)-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C24H29N7O4/c1-24(2,3)15-6-4-13(5-7-15)9-30-10-14(8-27-30)21-28-20(25)17-22(29-21)31(12-26-17)23-19(34)18(33)16(11-32)35-23/h4-8,10,12,16,18-19,23,32-34H,9,11H2,1-3H3,(H2,25,28,29)/t16-,18-,19-,23-/m1/s1
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 5.29E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119157
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1-phenethyl-1H-pyrazol...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCc2ccccc2)c1
Show InChI InChI=1S/C21H23N7O4/c22-18-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-19(25-18)13-8-24-27(9-13)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,14,16-17,21,29-31H,6-7,10H2,(H2,22,25,26)/t14-,16-,17-,21-/m1/s1
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 5.90E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119136
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1-decyl-1H-pyrazol-4-y...)
Show SMILES CCCCCCCCCCn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C23H35N7O4/c1-2-3-4-5-6-7-8-9-10-29-12-15(11-26-29)21-27-20(24)17-22(28-21)30(14-25-17)23-19(33)18(32)16(13-31)34-23/h11-12,14,16,18-19,23,31-33H,2-10,13H2,1H3,(H2,24,27,28)/t16-,18-,19-,23-/m1/s1
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 6.11E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119156
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[1-(3-cyclohexyl-propyl...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCCC2CCCCC2)c1
Show InChI InChI=1S/C22H31N7O4/c23-19-16-21(29(12-24-16)22-18(32)17(31)15(11-30)33-22)27-20(26-19)14-9-25-28(10-14)8-4-7-13-5-2-1-3-6-13/h9-10,12-13,15,17-18,22,30-32H,1-8,11H2,(H2,23,26,27)/t15-,17-,18-,22-/m1/s1
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 6.68E+3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119143
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1-isopropyl-1H-pyrazol...)
Show SMILES CC(C)n1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N7O4/c1-7(2)23-4-8(3-19-23)14-20-13(17)10-15(21-14)22(6-18-10)16-12(26)11(25)9(5-24)27-16/h3-4,6-7,9,11-12,16,24-26H,5H2,1-2H3,(H2,17,20,21)/t9-,11-,12-,16-/m1/s1
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 1.00E+4n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119155
PNG
(2-{4-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hyd...)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H22N8O5/c1-23(2)10(27)5-24-4-8(3-20-24)15-21-14(18)11-16(22-15)25(7-19-11)17-13(29)12(28)9(6-26)30-17/h3-4,7,9,12-13,17,26,28-29H,5-6H2,1-2H3,(H2,18,21,22)/t9-,12-,13-,17-/m1/s1
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 2.10E+4n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119147
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1H-pyrazol-4-yl)-purin...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn[nH]c1
Show InChI InChI=1S/C13H15N7O4/c14-10-7-12(19-11(18-10)5-1-16-17-2-5)20(4-15-7)13-9(23)8(22)6(3-21)24-13/h1-2,4,6,8-9,13,21-23H,3H2,(H,16,17)(H2,14,18,19)/t6-,8-,9-,13-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119140
PNG
(CHEMBL100992 | {4-[6-Amino-9-((2R,3R,4S,5R)-3,4-di...)
Show SMILES COC(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H19N7O6/c1-28-9(25)4-22-3-7(2-19-22)14-20-13(17)10-15(21-14)23(6-18-10)16-12(27)11(26)8(5-24)29-16/h2-3,6,8,11-12,16,24,26-27H,4-5H2,1H3,(H2,17,20,21)/t8-,11-,12-,16-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119162
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1-methyl-1H-pyrazol-4-...)
Show SMILES Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C14H17N7O4/c1-20-3-6(2-17-20)12-18-11(15)8-13(19-12)21(5-16-8)14-10(24)9(23)7(4-22)25-14/h2-3,5,7,9-10,14,22-24H,4H2,1H3,(H2,15,18,19)/t7-,9-,10-,14-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119136
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1-decyl-1H-pyrazol-4-y...)
Show SMILES CCCCCCCCCCn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C23H35N7O4/c1-2-3-4-5-6-7-8-9-10-29-12-15(11-26-29)21-27-20(24)17-22(28-21)30(14-25-17)23-19(33)18(32)16(13-31)34-23/h11-12,14,16,18-19,23,31-33H,2-10,13H2,1H3,(H2,24,27,28)/t16-,18-,19-,23-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119135
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(5-methyl-3-phenyl-pyra...)
Show SMILES Cc1cc(nn1-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)-c1ccccc1
Show InChI InChI=1S/C20H21N7O4/c1-10-7-12(11-5-3-2-4-6-11)25-27(10)20-23-17(21)14-18(24-20)26(9-22-14)19-16(30)15(29)13(8-28)31-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,23,24)/t13-,15-,16-,19-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119139
PNG
(2-{4-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hyd...)
Show SMILES CCNC(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H22N8O5/c1-2-19-10(27)5-24-4-8(3-21-24)15-22-14(18)11-16(23-15)25(7-20-11)17-13(29)12(28)9(6-26)30-17/h3-4,7,9,12-13,17,26,28-29H,2,5-6H2,1H3,(H,19,27)(H2,18,22,23)/t9-,12-,13-,17-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119162
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1-methyl-1H-pyrazol-4-...)
Show SMILES Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C14H17N7O4/c1-20-3-6(2-17-20)12-18-11(15)8-13(19-12)21(5-16-8)14-10(24)9(23)7(4-22)25-14/h2-3,5,7,9-10,14,22-24H,4H2,1H3,(H2,15,18,19)/t7-,9-,10-,14-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119158
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[1-(2-hydroxy-ethyl)-1H...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCO)c1
Show InChI InChI=1S/C15H19N7O5/c16-12-9-14(20-13(19-12)7-3-18-21(4-7)1-2-23)22(6-17-9)15-11(26)10(25)8(5-24)27-15/h3-4,6,8,10-11,15,23-26H,1-2,5H2,(H2,16,19,20)/t8-,10-,11-,15-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119163
PNG
(CHEMBL319949 | {4-[6-Amino-9-((2R,3R,4S,5R)-3,4-di...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CC(O)=O)c1
Show InChI InChI=1S/C15H17N7O6/c16-12-9-14(20-13(19-12)6-1-18-21(2-6)3-8(24)25)22(5-17-9)15-11(27)10(26)7(4-23)28-15/h1-2,5,7,10-11,15,23,26-27H,3-4H2,(H,24,25)(H2,16,19,20)/t7-,10-,11-,15-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119139
PNG
(2-{4-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hyd...)
Show SMILES CCNC(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H22N8O5/c1-2-19-10(27)5-24-4-8(3-21-24)15-22-14(18)11-16(23-15)25(7-20-11)17-13(29)12(28)9(6-26)30-17/h3-4,7,9,12-13,17,26,28-29H,2,5-6H2,1H3,(H,19,27)(H2,18,22,23)/t9-,12-,13-,17-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119140
PNG
(CHEMBL100992 | {4-[6-Amino-9-((2R,3R,4S,5R)-3,4-di...)
Show SMILES COC(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H19N7O6/c1-28-9(25)4-22-3-7(2-19-22)14-20-13(17)10-15(21-14)23(6-18-10)16-12(27)11(26)8(5-24)29-16/h2-3,6,8,11-12,16,24,26-27H,4-5H2,1H3,(H2,17,20,21)/t8-,11-,12-,16-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119159
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(3,5-dimethyl-4-propyl-...)
Show SMILES CCCc1c(C)nn(c1C)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H25N7O4/c1-4-5-10-8(2)23-25(9(10)3)18-21-15(19)12-16(22-18)24(7-20-12)17-14(28)13(27)11(6-26)29-17/h7,11,13-14,17,26-28H,4-6H2,1-3H3,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119163
PNG
(CHEMBL319949 | {4-[6-Amino-9-((2R,3R,4S,5R)-3,4-di...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CC(O)=O)c1
Show InChI InChI=1S/C15H17N7O6/c16-12-9-14(20-13(19-12)6-1-18-21(2-6)3-8(24)25)22(5-17-9)15-11(27)10(26)7(4-23)28-15/h1-2,5,7,10-11,15,23,26-27H,3-4H2,(H,24,25)(H2,16,19,20)/t7-,10-,11-,15-/m1/s1
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CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119154
PNG
(2-{4-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hyd...)
Show SMILES CCCNC(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H24N8O5/c1-2-3-20-11(28)6-25-5-9(4-22-25)16-23-15(19)12-17(24-16)26(8-21-12)18-14(30)13(29)10(7-27)31-18/h4-5,8,10,13-14,18,27,29-30H,2-3,6-7H2,1H3,(H,20,28)(H2,19,23,24)/t10-,13-,14-,18-/m1/s1
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CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119146
PNG
(2-{4-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hyd...)
Show SMILES CNC(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H20N8O5/c1-18-9(26)4-23-3-7(2-20-23)14-21-13(17)10-15(22-14)24(6-19-10)16-12(28)11(27)8(5-25)29-16/h2-3,6,8,11-12,16,25,27-28H,4-5H2,1H3,(H,18,26)(H2,17,21,22)/t8-,11-,12-,16-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119146
PNG
(2-{4-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hyd...)
Show SMILES CNC(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H20N8O5/c1-18-9(26)4-23-3-7(2-20-23)14-21-13(17)10-15(22-14)24(6-19-10)16-12(28)11(27)8(5-25)29-16/h2-3,6,8,11-12,16,25,27-28H,4-5H2,1H3,(H,18,26)(H2,17,21,22)/t8-,11-,12-,16-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119154
PNG
(2-{4-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hyd...)
Show SMILES CCCNC(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H24N8O5/c1-2-3-20-11(28)6-25-5-9(4-22-25)16-23-15(19)12-17(24-16)26(8-21-12)18-14(30)13(29)10(7-27)31-18/h4-5,8,10,13-14,18,27,29-30H,2-3,6-7H2,1H3,(H,20,28)(H2,19,23,24)/t10-,13-,14-,18-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119155
PNG
(2-{4-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hyd...)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H22N8O5/c1-23(2)10(27)5-24-4-8(3-20-24)15-21-14(18)11-16(22-15)25(7-19-11)17-13(29)12(28)9(6-26)30-17/h3-4,7,9,12-13,17,26,28-29H,5-6H2,1-2H3,(H2,18,21,22)/t9-,12-,13-,17-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119137
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(4-butyl-3,5-dimethyl-p...)
Show SMILES CCCCc1c(C)nn(c1C)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C19H27N7O4/c1-4-5-6-11-9(2)24-26(10(11)3)19-22-16(20)13-17(23-19)25(8-21-13)18-15(29)14(28)12(7-27)30-18/h8,12,14-15,18,27-29H,4-7H2,1-3H3,(H2,20,22,23)/t12-,14-,15-,18-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119147
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1H-pyrazol-4-yl)-purin...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn[nH]c1
Show InChI InChI=1S/C13H15N7O4/c14-10-7-12(19-11(18-10)5-1-16-17-2-5)20(4-15-7)13-9(23)8(22)6(3-21)24-13/h1-2,4,6,8-9,13,21-23H,3H2,(H,16,17)(H2,14,18,19)/t6-,8-,9-,13-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50119158
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[1-(2-hydroxy-ethyl)-1H...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCO)c1
Show InChI InChI=1S/C15H19N7O5/c16-12-9-14(20-13(19-12)7-3-18-21(4-7)1-2-23)22(6-17-9)15-11(26)10(25)8(5-24)27-15/h3-4,6,8,10-11,15,23-26H,1-2,5H2,(H2,16,19,20)/t8-,10-,11-,15-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50119132
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1
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 1.27E+6n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A2A receptor in HEK cells

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50119132
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1
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>1.65E+7n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine (ADO) A1 receptor in CHO cells

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50009546
PNG
(2-{6-Amino-2-[2-(4-methoxy-phenyl)-ethylamino]-pur...)
Show SMILES COc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C19H24N6O5/c1-29-11-4-2-10(3-5-11)6-7-21-19-23-16(20)13-17(24-19)25(9-22-13)18-15(28)14(27)12(8-26)30-18/h2-5,9,12,14-15,18,26-28H,6-8H2,1H3,(H3,20,21,23,24)/t12-,14-,15-,18?/m1/s1
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n/an/a 23n/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A2A receptor using [3H]-ZM-241,38 in rat

Bioorg Med Chem Lett 12: 2935-9 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%