Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50030751   

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 (Rattus norvegicus (rat))	BDBM50300873 ((2R,3R,4S,5R)-2-(6-amino-2-(phenethylthio)-9H-puri...) Show SMILES Nc1nc(SCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H21N5O4S/c19-15-12-16(22-18(21-15)28-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)27-17/h1-5,9,11,13-14,17,24-26H,6-8H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50300874 ((2R,3R,4S,5R)-2-(6-amino-2-(benzylthio)-9H-purin-9...) Show SMILES Nc1nc(SCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H19N5O4S/c18-14-11-15(21-17(20-14)27-7-9-4-2-1-3-5-9)22(8-19-11)16-13(25)12(24)10(6-23)26-16/h1-5,8,10,12-13,16,23-25H,6-7H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50300881 ((2R,3R,4S,5R)-2-(6-amino-2-(cyclohexylthio)-9H-pur...) Show SMILES Nc1nc(SC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H23N5O4S/c17-13-10-14(20-16(19-13)26-8-4-2-1-3-5-8)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h7-9,11-12,15,22-24H,1-6H2,(H2,17,19,20)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50300873 ((2R,3R,4S,5R)-2-(6-amino-2-(phenethylthio)-9H-puri...) Show SMILES Nc1nc(SCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H21N5O4S/c19-15-12-16(22-18(21-15)28-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)27-17/h1-5,9,11,13-14,17,24-26H,6-8H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300874 ((2R,3R,4S,5R)-2-(6-amino-2-(benzylthio)-9H-purin-9...) Show SMILES Nc1nc(SCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H19N5O4S/c18-14-11-15(21-17(20-14)27-7-9-4-2-1-3-5-9)22(8-19-11)16-13(25)12(24)10(6-23)26-16/h1-5,8,10,12-13,16,23-25H,6-7H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	249	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50300878 ((2R,3R,4S,5R)-2-(6-amino-2-(hexylthio)-9H-purin-9-...) Show SMILES CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H25N5O4S/c1-2-3-4-5-6-26-16-19-13(17)10-14(20-16)21(8-18-10)15-12(24)11(23)9(7-22)25-15/h8-9,11-12,15,22-24H,2-7H2,1H3,(H2,17,19,20)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	256	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300876 ((2R,3R,4S,5R)-2-(6-amino-2-(2-cyclohexylethylthio)...) Show SMILES Nc1nc(SCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H27N5O4S/c19-15-12-16(22-18(21-15)28-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)27-17/h9-11,13-14,17,24-26H,1-8H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50300876 ((2R,3R,4S,5R)-2-(6-amino-2-(2-cyclohexylethylthio)...) Show SMILES Nc1nc(SCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H27N5O4S/c19-15-12-16(22-18(21-15)28-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)27-17/h9-11,13-14,17,24-26H,1-8H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50300872 ((2R,3R,4S,5R)-2-(2-(2-(1,4-dioxan-2-yl)ethylthio)-...) Show SMILES Nc1nc(SCCC2COCCO2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H23N5O6S/c17-13-10-14(20-16(19-13)28-4-1-8-6-25-2-3-26-8)21(7-18-10)15-12(24)11(23)9(5-22)27-15/h7-9,11-12,15,22-24H,1-6H2,(H2,17,19,20)/t8?,9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	454	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50300877 ((2R,3R,4S,5R)-2-(6-amino-2-(cyclohexylmethylthio)-...) Show SMILES Nc1nc(SCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H25N5O4S/c18-14-11-15(21-17(20-14)27-7-9-4-2-1-3-5-9)22(8-19-11)16-13(25)12(24)10(6-23)26-16/h8-10,12-13,16,23-25H,1-7H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	498	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50300880 ((2R,3R,4S,5R)-2-(2-(allylthio)-6-amino-9H-purin-9-...) Show SMILES Nc1nc(SCC=C)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H17N5O4S/c1-2-3-23-13-16-10(14)7-11(17-13)18(5-15-7)12-9(21)8(20)6(4-19)22-12/h2,5-6,8-9,12,19-21H,1,3-4H2,(H2,14,16,17)/t6-,8-,9-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	532	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300878 ((2R,3R,4S,5R)-2-(6-amino-2-(hexylthio)-9H-purin-9-...) Show SMILES CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H25N5O4S/c1-2-3-4-5-6-26-16-19-13(17)10-14(20-16)21(8-18-10)15-12(24)11(23)9(7-22)25-15/h8-9,11-12,15,22-24H,2-7H2,1H3,(H2,17,19,20)/t9-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	542	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50300879 ((2R,3R,4S,5R)-2-(6-amino-2-(prop-2-ynylthio)-9H-pu...) Show SMILES Nc1nc(SCC#C)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H15N5O4S/c1-2-3-23-13-16-10(14)7-11(17-13)18(5-15-7)12-9(21)8(20)6(4-19)22-12/h1,5-6,8-9,12,19-21H,3-4H2,(H2,14,16,17)/t6-,8-,9-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	555	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300874 ((2R,3R,4S,5R)-2-(6-amino-2-(benzylthio)-9H-purin-9...) Show SMILES Nc1nc(SCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H19N5O4S/c18-14-11-15(21-17(20-14)27-7-9-4-2-1-3-5-9)22(8-19-11)16-13(25)12(24)10(6-23)26-16/h1-5,8,10,12-13,16,23-25H,6-7H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	606	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300877 ((2R,3R,4S,5R)-2-(6-amino-2-(cyclohexylmethylthio)-...) Show SMILES Nc1nc(SCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H25N5O4S/c18-14-11-15(21-17(20-14)27-7-9-4-2-1-3-5-9)22(8-19-11)16-13(25)12(24)10(6-23)26-16/h8-10,12-13,16,23-25H,1-7H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	709	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300875 ((2R,3R,4S,5R)-2-(6-amino-2-(cyclopentylthio)-9H-pu...) Show SMILES Nc1nc(SC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21N5O4S/c16-12-9-13(19-15(18-12)25-7-3-1-2-4-7)20(6-17-9)14-11(23)10(22)8(5-21)24-14/h6-8,10-11,14,21-23H,1-5H2,(H2,16,18,19)/t8-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	793	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50300874 ((2R,3R,4S,5R)-2-(6-amino-2-(benzylthio)-9H-purin-9...) Show SMILES Nc1nc(SCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H19N5O4S/c18-14-11-15(21-17(20-14)27-7-9-4-2-1-3-5-9)22(8-19-11)16-13(25)12(24)10(6-23)26-16/h1-5,8,10,12-13,16,23-25H,6-7H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	927	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300877 ((2R,3R,4S,5R)-2-(6-amino-2-(cyclohexylmethylthio)-...) Show SMILES Nc1nc(SCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H25N5O4S/c18-14-11-15(21-17(20-14)27-7-9-4-2-1-3-5-9)22(8-19-11)16-13(25)12(24)10(6-23)26-16/h8-10,12-13,16,23-25H,1-7H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	945	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50300875 ((2R,3R,4S,5R)-2-(6-amino-2-(cyclopentylthio)-9H-pu...) Show SMILES Nc1nc(SC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21N5O4S/c16-12-9-13(19-15(18-12)25-7-3-1-2-4-7)20(6-17-9)14-11(23)10(22)8(5-21)24-14/h6-8,10-11,14,21-23H,1-5H2,(H2,16,18,19)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	994	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300872 ((2R,3R,4S,5R)-2-(2-(2-(1,4-dioxan-2-yl)ethylthio)-...) Show SMILES Nc1nc(SCCC2COCCO2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H23N5O6S/c17-13-10-14(20-16(19-13)28-4-1-8-6-25-2-3-26-8)21(7-18-10)15-12(24)11(23)9(5-22)27-15/h7-9,11-12,15,22-24H,1-6H2,(H2,17,19,20)/t8?,9-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50300871 ((2R,3R,4S,5R)-2-(2-(2-(1,3-dioxolan-2-yl)ethylthio...) Show SMILES Nc1nc(SCCC2OCCO2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21N5O6S/c16-12-9-13(19-15(18-12)27-4-1-8-24-2-3-25-8)20(6-17-9)14-11(23)10(22)7(5-21)26-14/h6-8,10-11,14,21-23H,1-5H2,(H2,16,18,19)/t7-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300871 ((2R,3R,4S,5R)-2-(2-(2-(1,3-dioxolan-2-yl)ethylthio...) Show SMILES Nc1nc(SCCC2OCCO2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21N5O6S/c16-12-9-13(19-15(18-12)27-4-1-8-24-2-3-25-8)20(6-17-9)14-11(23)10(22)7(5-21)26-14/h6-8,10-11,14,21-23H,1-5H2,(H2,16,18,19)/t7-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50300882 ((2R,3R,4S,5R)-2-(6-amino-2-(propylthio)-9H-purin-9...) Show SMILES CCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C13H19N5O4S/c1-2-3-23-13-16-10(14)7-11(17-13)18(5-15-7)12-9(21)8(20)6(4-19)22-12/h5-6,8-9,12,19-21H,2-4H2,1H3,(H2,14,16,17)/t6-,8-,9-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50300872 ((2R,3R,4S,5R)-2-(2-(2-(1,4-dioxan-2-yl)ethylthio)-...) Show SMILES Nc1nc(SCCC2COCCO2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H23N5O6S/c17-13-10-14(20-16(19-13)28-4-1-8-6-25-2-3-26-8)21(7-18-10)15-12(24)11(23)9(5-22)27-15/h7-9,11-12,15,22-24H,1-6H2,(H2,17,19,20)/t8?,9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300882 ((2R,3R,4S,5R)-2-(6-amino-2-(propylthio)-9H-purin-9...) Show SMILES CCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C13H19N5O4S/c1-2-3-23-13-16-10(14)7-11(17-13)18(5-15-7)12-9(21)8(20)6(4-19)22-12/h5-6,8-9,12,19-21H,2-4H2,1H3,(H2,14,16,17)/t6-,8-,9-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300880 ((2R,3R,4S,5R)-2-(2-(allylthio)-6-amino-9H-purin-9-...) Show SMILES Nc1nc(SCC=C)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H17N5O4S/c1-2-3-23-13-16-10(14)7-11(17-13)18(5-15-7)12-9(21)8(20)6(4-19)22-12/h2,5-6,8-9,12,19-21H,1,3-4H2,(H2,14,16,17)/t6-,8-,9-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50300877 ((2R,3R,4S,5R)-2-(6-amino-2-(cyclohexylmethylthio)-...) Show SMILES Nc1nc(SCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H25N5O4S/c18-14-11-15(21-17(20-14)27-7-9-4-2-1-3-5-9)22(8-19-11)16-13(25)12(24)10(6-23)26-16/h8-10,12-13,16,23-25H,1-7H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50300873 ((2R,3R,4S,5R)-2-(6-amino-2-(phenethylthio)-9H-puri...) Show SMILES Nc1nc(SCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H21N5O4S/c19-15-12-16(22-18(21-15)28-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)27-17/h1-5,9,11,13-14,17,24-26H,6-8H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50300878 ((2R,3R,4S,5R)-2-(6-amino-2-(hexylthio)-9H-purin-9-...) Show SMILES CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H25N5O4S/c1-2-3-4-5-6-26-16-19-13(17)10-14(20-16)21(8-18-10)15-12(24)11(23)9(7-22)25-15/h8-9,11-12,15,22-24H,2-7H2,1H3,(H2,17,19,20)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300881 ((2R,3R,4S,5R)-2-(6-amino-2-(cyclohexylthio)-9H-pur...) Show SMILES Nc1nc(SC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H23N5O4S/c17-13-10-14(20-16(19-13)26-8-4-2-1-3-5-8)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h7-9,11-12,15,22-24H,1-6H2,(H2,17,19,20)/t9-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300879 ((2R,3R,4S,5R)-2-(6-amino-2-(prop-2-ynylthio)-9H-pu...) Show SMILES Nc1nc(SCC#C)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H15N5O4S/c1-2-3-23-13-16-10(14)7-11(17-13)18(5-15-7)12-9(21)8(20)6(4-19)22-12/h1,5-6,8-9,12,19-21H,3-4H2,(H2,14,16,17)/t6-,8-,9-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300879 ((2R,3R,4S,5R)-2-(6-amino-2-(prop-2-ynylthio)-9H-pu...) Show SMILES Nc1nc(SCC#C)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H15N5O4S/c1-2-3-23-13-16-10(14)7-11(17-13)18(5-15-7)12-9(21)8(20)6(4-19)22-12/h1,5-6,8-9,12,19-21H,3-4H2,(H2,14,16,17)/t6-,8-,9-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50300871 ((2R,3R,4S,5R)-2-(2-(2-(1,3-dioxolan-2-yl)ethylthio...) Show SMILES Nc1nc(SCCC2OCCO2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21N5O6S/c16-12-9-13(19-15(18-12)27-4-1-8-24-2-3-25-8)20(6-17-9)14-11(23)10(22)7(5-21)26-14/h6-8,10-11,14,21-23H,1-5H2,(H2,16,18,19)/t7-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50300876 ((2R,3R,4S,5R)-2-(6-amino-2-(2-cyclohexylethylthio)...) Show SMILES Nc1nc(SCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H27N5O4S/c19-15-12-16(22-18(21-15)28-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)27-17/h9-11,13-14,17,24-26H,1-8H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300881 ((2R,3R,4S,5R)-2-(6-amino-2-(cyclohexylthio)-9H-pur...) Show SMILES Nc1nc(SC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H23N5O4S/c17-13-10-14(20-16(19-13)26-8-4-2-1-3-5-8)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h7-9,11-12,15,22-24H,1-6H2,(H2,17,19,20)/t9-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50300880 ((2R,3R,4S,5R)-2-(2-(allylthio)-6-amino-9H-purin-9-...) Show SMILES Nc1nc(SCC=C)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H17N5O4S/c1-2-3-23-13-16-10(14)7-11(17-13)18(5-15-7)12-9(21)8(20)6(4-19)22-12/h2,5-6,8-9,12,19-21H,1,3-4H2,(H2,14,16,17)/t6-,8-,9-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50300879 ((2R,3R,4S,5R)-2-(6-amino-2-(prop-2-ynylthio)-9H-pu...) Show SMILES Nc1nc(SCC#C)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H15N5O4S/c1-2-3-23-13-16-10(14)7-11(17-13)18(5-15-7)12-9(21)8(20)6(4-19)22-12/h1,5-6,8-9,12,19-21H,3-4H2,(H2,14,16,17)/t6-,8-,9-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300876 ((2R,3R,4S,5R)-2-(6-amino-2-(2-cyclohexylethylthio)...) Show SMILES Nc1nc(SCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H27N5O4S/c19-15-12-16(22-18(21-15)28-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)27-17/h9-11,13-14,17,24-26H,1-8H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300875 ((2R,3R,4S,5R)-2-(6-amino-2-(cyclopentylthio)-9H-pu...) Show SMILES Nc1nc(SC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21N5O4S/c16-12-9-13(19-15(18-12)25-7-3-1-2-4-7)20(6-17-9)14-11(23)10(22)8(5-21)24-14/h6-8,10-11,14,21-23H,1-5H2,(H2,16,18,19)/t8-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50300875 ((2R,3R,4S,5R)-2-(6-amino-2-(cyclopentylthio)-9H-pu...) Show SMILES Nc1nc(SC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21N5O4S/c16-12-9-13(19-15(18-12)25-7-3-1-2-4-7)20(6-17-9)14-11(23)10(22)8(5-21)24-14/h6-8,10-11,14,21-23H,1-5H2,(H2,16,18,19)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300878 ((2R,3R,4S,5R)-2-(6-amino-2-(hexylthio)-9H-purin-9-...) Show SMILES CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H25N5O4S/c1-2-3-4-5-6-26-16-19-13(17)10-14(20-16)21(8-18-10)15-12(24)11(23)9(7-22)25-15/h8-9,11-12,15,22-24H,2-7H2,1H3,(H2,17,19,20)/t9-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300880 ((2R,3R,4S,5R)-2-(2-(allylthio)-6-amino-9H-purin-9-...) Show SMILES Nc1nc(SCC=C)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H17N5O4S/c1-2-3-23-13-16-10(14)7-11(17-13)18(5-15-7)12-9(21)8(20)6(4-19)22-12/h2,5-6,8-9,12,19-21H,1,3-4H2,(H2,14,16,17)/t6-,8-,9-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300882 ((2R,3R,4S,5R)-2-(6-amino-2-(propylthio)-9H-purin-9...) Show SMILES CCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C13H19N5O4S/c1-2-3-23-13-16-10(14)7-11(17-13)18(5-15-7)12-9(21)8(20)6(4-19)22-12/h5-6,8-9,12,19-21H,2-4H2,1H3,(H2,14,16,17)/t6-,8-,9-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50300871 ((2R,3R,4S,5R)-2-(2-(2-(1,3-dioxolan-2-yl)ethylthio...) Show SMILES Nc1nc(SCCC2OCCO2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21N5O6S/c16-12-9-13(19-15(18-12)27-4-1-8-24-2-3-25-8)20(6-17-9)14-11(23)10(22)7(5-21)26-14/h6-8,10-11,14,21-23H,1-5H2,(H2,16,18,19)/t7-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair