Compile Data Set for Download or QSAR

Found 350 hits with Last Name = 'maa' and Initial = 't'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adenosine receptor A2a (Homo sapiens (Human))	BDBM10847 (1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...) Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2a receptor by using as [3H]-ZM-241,385 radioligand in membranes from HEK-A2A cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM10847 (1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...) Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor by using as [3H]-CPX iradioligand n membranes from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50188578 (8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C18H15F3N6O2/c1-25-15-13(16(28)26(2)17(25)29)23-14(24-15)11-7-22-27(9-11)8-10-4-3-5-12(6-10)18(19,20)21/h3-7,9H,8H2,1-2H3,(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50118812 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50152088 (2-[6-Amino-2-(1-benzyl-1H-pyrazol-4-yl)-purin-9-yl...) Show SMILES Nc1nc(nc2n(cnc12)C1O[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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50152070 (2-Hydroxymethyl-5-[6-methylamino-2-(4-pyridin-3-yl...) Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1cccnc1 Show InChI InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-11(6-23-27)10-3-2-4-21-5-10/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2b receptor labeled by [3H]-ZM-241,385 in membranes prepared from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50152086 (2-Hydroxymethyl-5-[6-methylamino-2-(4-pyridin-2-yl...) Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1 Show InChI InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-10(6-23-27)11-4-2-3-5-21-11/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50152087 (2-[2-(4-Benzooxazol-2-yl-pyrazol-1-yl)-6-methylami...) Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1nc2ccccc2o1 Show InChI InChI=1S/C21H20N8O5/c1-22-17-14-18(28(9-23-14)20-16(32)15(31)13(8-30)34-20)27-21(26-17)29-7-10(6-24-29)19-25-11-4-2-3-5-12(11)33-19/h2-7,9,13,15-16,20,30-32H,8H2,1H3,(H,22,26,27)/t13-,15-,16-,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50152071 (2-Hydroxymethyl-5-[6-methylamino-2-(4-quinolin-2-y...) Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C23H22N8O4/c1-24-20-17-21(30(11-25-17)22-19(34)18(33)16(10-32)35-22)29-23(28-20)31-9-13(8-26-31)15-7-6-12-4-2-3-5-14(12)27-15/h2-9,11,16,18-19,22,32-34H,10H2,1H3,(H,24,28,29)/t16-,18-,19-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50188547 (8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-diethyl...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C19H19FN6O2/c1-3-25-17-15(18(27)26(4-2)19(25)28)22-16(23-17)13-9-21-24(11-13)10-12-6-5-7-14(20)8-12/h5-9,11H,3-4,10H2,1-2H3,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50159970 (8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A3 receptor by displacement of specific binding of [125I]-AB-MECA in membranes prepared from CHO-A3 cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50152090 (2-Hydroxymethyl-5-[6-methylamino-2-(4-pyridin-4-yl...) Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccncc1 Show InChI InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-11(6-23-27)10-2-4-21-5-3-10/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50152079 (2-{6-Amino-2-[4-(4-methoxy-phenyl)-pyrazol-1-yl]-p...) Show SMILES COc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn(C3O[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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50159960 (8-{4-[3-(3-Chloro-phenyl)-[1,2,4]oxadiazol-5-ylmet...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C26H25ClN6O4/c1-3-12-32-24-21(25(34)33(13-4-2)26(32)35)29-22(30-24)16-8-10-19(11-9-16)36-15-20-28-23(31-37-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor by using as [3H]-CPX (0.5 nM) radioligand in membranes from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50188559 (8-(1-(4-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C21H23ClN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-5-7-16(22)8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50159959 (8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmet...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor by using as [3H]-CPX radioligand in membranes from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50159970 (8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor labeled by [3H]-CPX in membranes prepared from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50188562 (1,3-Dipropyl-8-(1H-pyrazol-4-yl)-1H-purine-2,6(3H,...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cn[nH]c1 Show InChI InChI=1S/C14H18N6O2/c1-3-5-19-12-10(13(21)20(6-4-2)14(19)22)17-11(18-12)9-7-15-16-8-9/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50152088 (2-[6-Amino-2-(1-benzyl-1H-pyrazol-4-yl)-purin-9-yl...) Show SMILES Nc1nc(nc2n(cnc12)C1O[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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50152084 (1-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-tetrah...) Show SMILES CNC(=O)c1cnn(c1)-c1nc(N)c2ncn(C3O[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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50152075 (2-{2-[4-(4-Chloro-phenyl)-pyrazol-1-yl]-6-methylam...) Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H20ClN7O4/c1-22-17-14-18(27(9-23-14)19-16(31)15(30)13(8-29)32-19)26-20(25-17)28-7-11(6-24-28)10-2-4-12(21)5-3-10/h2-7,9,13,15-16,19,29-31H,8H2,1H3,(H,22,25,26)/t13-,15-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50233081 (8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purin...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C21H24N6O2/c1-3-10-26-19-17(20(28)27(11-4-2)21(26)29)23-18(24-19)16-12-22-25(14-16)13-15-8-6-5-7-9-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50188583 (8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H19F3N6O2/c1-3-28-17-15(18(30)29(4-2)19(28)31)25-16(26-17)13-9-24-27(11-13)10-12-6-5-7-14(8-12)20(21,22)23/h5-9,11H,3-4,10H2,1-2H3,(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50233076 (8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C21H23FN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM10847 (1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...) Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]-AB-MECA in membranes from CHO-A3 cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50233082 (8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H23F3N6O2/c1-3-8-30-19-17(20(32)31(9-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-6-5-7-16(10-14)22(23,24)25/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50152089 (2-Hydroxymethyl-5-{2-[4-(4-methoxy-phenyl)-pyrazol...) Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1 Show InChI InChI=1S/C21H23N7O5/c1-22-18-15-19(27(10-23-15)20-17(31)16(30)14(9-29)33-20)26-21(25-18)28-8-12(7-24-28)11-3-5-13(32-2)6-4-11/h3-8,10,14,16-17,20,29-31H,9H2,1-2H3,(H,22,25,26)/t14-,16-,17-,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50188544 (8-(1-phenethyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCc2ccccc2)c1 Show InChI InChI=1S/C22H26N6O2/c1-3-11-27-20-18(21(29)28(12-4-2)22(27)30)24-19(25-20)17-14-23-26(15-17)13-10-16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50188559 (8-(1-(4-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C21H23ClN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-5-7-16(22)8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50188570 (8-(1-(3-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(Cl)c2)c1 Show InChI InChI=1S/C21H23ClN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50152077 (1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-fur...) Show SMILES CCCNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C18H24N8O5/c1-3-4-20-16(30)9-5-22-26(6-9)18-23-14(19-2)11-15(24-18)25(8-21-11)17-13(29)12(28)10(7-27)31-17/h5-6,8,10,12-13,17,27-29H,3-4,7H2,1-2H3,(H,20,30)(H,19,23,24)/t10-,12-,13-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50188558 (8-(1-(2-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2F)c1 Show InChI InChI=1S/C21H23FN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-7-5-6-8-16(14)22/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50188553 (8-(1-benzyl-1H-pyrazol-4-yl)-1,3-diethyl-1H-purine...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C19H20N6O2/c1-3-24-17-15(18(26)25(4-2)19(24)27)21-16(22-17)14-10-20-23(12-14)11-13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50188552 (8-(1-(2-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2Cl)c1 Show InChI InChI=1S/C21H23ClN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-7-5-6-8-16(14)22/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 19.5+/-12.0				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50188548 (8-(1-(4-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C22H23F3N6O2/c1-3-9-30-19-17(20(32)31(10-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-5-7-16(8-6-14)22(23,24)25/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50188562 (1,3-Dipropyl-8-(1H-pyrazol-4-yl)-1H-purine-2,6(3H,...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cn[nH]c1 Show InChI InChI=1S/C14H18N6O2/c1-3-5-19-12-10(13(21)20(6-4-2)14(19)22)17-11(18-12)9-7-15-16-8-9/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50188579 (8-(1-(4-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)cc2)c1 Show InChI InChI=1S/C21H23FN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-5-7-16(22)8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50188569 (8-(1-(2-chloro-5-(trifluoromethyl)benzyl)-1H-pyraz...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1 Show InChI InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-9-15(22(24,25)26)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50188546 (8-(1-(2-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C)c1 Show InChI InChI=1S/C22H26N6O2/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-9-7-6-8-15(16)3/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50159959 (8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmet...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2a receptor labeled by [3H]-ZM-241,385 in membranes from HEK-A2A cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50159970 (8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2a receptor labeled by [3H]-ZM-241,385 in membranes prepared from HEK-A2A cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50188562 (1,3-Dipropyl-8-(1H-pyrazol-4-yl)-1H-purine-2,6(3H,...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cn[nH]c1 Show InChI InChI=1S/C14H18N6O2/c1-3-5-19-12-10(13(21)20(6-4-2)14(19)22)17-11(18-12)9-7-15-16-8-9/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50188579 (8-(1-(4-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)cc2)c1 Show InChI InChI=1S/C21H23FN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-5-7-16(22)8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50236760 (8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dimethy...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C17H15FN6O2/c1-22-15-13(16(25)23(2)17(22)26)20-14(21-15)11-7-19-24(9-11)8-10-4-3-5-12(18)6-10/h3-7,9H,8H2,1-2H3,(H,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50188558 (8-(1-(2-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2F)c1 Show InChI InChI=1S/C21H23FN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-7-5-6-8-16(14)22/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50188551 (8-(1-(2,5-dichlorobenzyl)-1H-pyrazol-4-yl)-1,3-dip...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(Cl)ccc2Cl)c1 Show InChI InChI=1S/C21H22Cl2N6O2/c1-3-7-28-19-17(20(30)29(8-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-9-15(22)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
					More data for this Ligand-Target Pair

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