Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50019220   

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))	BDBM50202991 (7-(2-{4-[2-fluoro-4-(2-methoxy-ethoxy)-phenyl]-pip...) Show SMILES COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)CC2)c(F)c1 Show InChI InChI=1S/C25H28FN9O3/c1-36-13-14-37-17-4-5-20(19(26)15-17)33-9-6-32(7-10-33)8-11-34-23-18(16-28-34)24-29-22(21-3-2-12-38-21)31-35(24)25(27)30-23/h2-5,12,15-16H,6-11,13-14H2,1H3,(H2,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202994 (7-{2-[4-(4-chloro-phenyl)-piperazin-1-yl]-ethyl}-2...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(Cl)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H22ClN9O/c23-15-3-5-16(6-4-15)30-10-7-29(8-11-30)9-12-31-20-17(14-25-31)21-26-19(18-2-1-13-33-18)28-32(21)22(24)27-20/h1-6,13-14H,7-12H2,(H2,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202998 (2-(4-{4-[2-(5-amino-2-furan-2-yl-pyrazolo[4,3-e][1...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(OCCO)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C24H27N9O3/c25-24-28-22-19(23-27-21(29-33(23)24)20-2-1-14-36-20)16-26-32(22)12-9-30-7-10-31(11-8-30)17-3-5-18(6-4-17)35-15-13-34/h1-6,14,16,34H,7-13,15H2,(H2,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202985 (2-furan-2-yl-7-{2-[4-(2,3,4-trifluoro-phenyl)-pipe...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(F)c(F)c3F)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H20F3N9O/c23-14-3-4-15(18(25)17(14)24)32-8-5-31(6-9-32)7-10-33-20-13(12-27-33)21-28-19(16-2-1-11-35-16)30-34(21)22(26)29-20/h1-4,11-12H,5-10H2,(H2,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50203000 (7-(2-{4-[4-(2-cyclopropoxy-ethoxy)-phenyl]-piperaz...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(OCCOC4CC4)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C27H31N9O3/c28-27-31-25-22(26-30-24(32-36(26)27)23-2-1-15-39-23)18-29-35(25)14-11-33-9-12-34(13-10-33)19-3-5-20(6-4-19)37-16-17-38-21-7-8-21/h1-6,15,18,21H,7-14,16-17H2,(H2,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202996 (7-{2-[4-(2-fluoro-phenyl)-piperazin-1-yl]-ethyl}-2...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccccc3F)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H22FN9O/c23-16-4-1-2-5-17(16)30-10-7-29(8-11-30)9-12-31-20-15(14-25-31)21-26-19(18-6-3-13-33-18)28-32(21)22(24)27-20/h1-6,13-14H,7-12H2,(H2,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202990 (2-(furan-2-yl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(F)cc3F)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H21F2N9O/c23-14-3-4-17(16(24)12-14)31-8-5-30(6-9-31)7-10-32-20-15(13-26-32)21-27-19(18-2-1-11-34-18)29-33(21)22(25)28-20/h1-4,11-13H,5-10H2,(H2,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202989 (2-furan-2-yl-7-(2-{4-[4-(3-methoxy-propoxy)-phenyl...) Show SMILES COCCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C26H31N9O3/c1-36-15-3-17-37-20-7-5-19(6-8-20)33-12-9-32(10-13-33)11-14-34-24-21(18-28-34)25-29-23(22-4-2-16-38-22)31-35(25)26(27)30-24/h2,4-8,16,18H,3,9-15,17H2,1H3,(H2,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50203001 (1-(4-{4-[2-(5-amino-2-furan-2-yl-pyrazolo[4,3-e][1...) Show SMILES CC(=O)COc1ccc(cc1)N1CCN(CCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)CC1 Show InChI InChI=1S/C25H27N9O3/c1-17(35)16-37-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(15-27-33)24-28-22(21-3-2-14-36-21)30-34(24)25(26)29-23/h2-7,14-15H,8-13,16H2,1H3,(H2,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202992 (7-{2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-ethyl}-2...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(F)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H22FN9O/c23-15-3-5-16(6-4-15)30-10-7-29(8-11-30)9-12-31-20-17(14-25-31)21-26-19(18-2-1-13-33-18)28-32(21)22(24)27-20/h1-6,13-14H,7-12H2,(H2,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202999 (2-furan-2-yl-7-{2-[4-(2,4,6-trifluoro-phenyl)-pipe...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3c(F)cc(F)cc3F)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H20F3N9O/c23-13-10-15(24)18(16(25)11-13)32-6-3-31(4-7-32)5-8-33-20-14(12-27-33)21-28-19(17-2-1-9-35-17)30-34(21)22(26)29-20/h1-2,9-12H,3-8H2,(H2,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202986 (2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...) Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202997 (4-{4-[2-(5-amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H23N9O2/c23-22-26-20-17(21-25-19(27-31(21)22)18-2-1-13-33-18)14-24-30(20)12-9-28-7-10-29(11-8-28)15-3-5-16(32)6-4-15/h1-6,13-14,32H,7-12H2,(H2,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202987 (7-{2-[4-(4-ethoxy-phenyl)-piperazin-1-yl]-ethyl}-2...) Show SMILES CCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C24H27N9O2/c1-2-34-18-7-5-17(6-8-18)31-12-9-30(10-13-31)11-14-32-22-19(16-26-32)23-27-21(20-4-3-15-35-20)29-33(23)24(25)28-22/h3-8,15-16H,2,9-14H2,1H3,(H2,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202988 (7-{2-[4-(3,4-difluoro-phenyl)-piperazin-1-yl]-ethy...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(F)c(F)c3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H21F2N9O/c23-16-4-3-14(12-17(16)24)31-8-5-30(6-9-31)7-10-32-20-15(13-26-32)21-27-19(18-2-1-11-34-18)29-33(21)22(25)28-20/h1-4,11-13H,5-10H2,(H2,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202993 (2-furan-2-yl-7-[2-(4-phenyl-piperazin-1-yl)-ethyl]...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccccc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H23N9O/c23-22-26-20-17(21-25-19(27-31(21)22)18-7-4-14-32-18)15-24-30(20)13-10-28-8-11-29(12-9-28)16-5-2-1-3-6-16/h1-7,14-15H,8-13H2,(H2,23,26)	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202983 (2-furan-2-yl-7-(2-{4-[4-(2-methoxy-propoxy)-phenyl...) Show SMILES COC(C)COc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 |w:2.2| Show InChI InChI=1S/C26H31N9O3/c1-18(36-2)17-38-20-7-5-19(6-8-20)33-12-9-32(10-13-33)11-14-34-24-21(16-28-34)25-29-23(22-4-3-15-37-22)31-35(25)26(27)30-24/h3-8,15-16,18H,9-14,17H2,1-2H3,(H2,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202984 (4-{4-[2-(5-amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(cc3)C#N)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C23H22N10O/c24-14-16-3-5-17(6-4-16)31-10-7-30(8-11-31)9-12-32-21-18(15-26-32)22-27-20(19-2-1-13-34-19)29-33(22)23(25)28-21/h1-6,13,15H,7-12H2,(H2,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202995 (2-furan-2-yl-7-{2-[4-(4-methanesulfinylmethoxy-phe...) Show SMILES CS(=O)COc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C24H27N9O3S/c1-37(34)16-36-18-6-4-17(5-7-18)31-11-8-30(9-12-31)10-13-32-22-19(15-26-32)23-27-21(20-3-2-14-35-20)29-33(23)24(25)28-22/h2-7,14-15H,8-13,16H2,1H3,(H2,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50202986 (2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...) Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to rat adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50202986 (2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...) Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50202986 (2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...) Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50202986 (2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...) Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2B receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair