Compile Data Set for Download or QSAR

Found 83 hits Enz. Inhib. hit(s) with all data for entry = 50030329   

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))	BDBM50294501 (2-amino-6-(furan-2-yl)-N-((6-(methoxymethyl)pyridi...) Show SMILES COCc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)n1 Show InChI InChI=1S/C17H17N5O3/c1-24-10-12-5-2-4-11(20-12)9-19-16(23)14-8-13(21-17(18)22-14)15-6-3-7-25-15/h2-8H,9-10H2,1H3,(H,19,23)(H2,18,21,22)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294507 (2-amino-6-(furan-2-yl)-N-(2-methylbenzyl)pyrimidin...) Show SMILES Cc1ccccc1CNC(=O)c1cc(nc(N)n1)-c1ccco1 Show InChI InChI=1S/C17H16N4O2/c1-11-5-2-3-6-12(11)10-19-16(22)14-9-13(20-17(18)21-14)15-7-4-8-23-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	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	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294508 (2-amino-6-(furan-2-yl)-N-(3-methylbenzyl)pyrimidin...) Show SMILES Cc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)c1 Show InChI InChI=1S/C17H16N4O2/c1-11-4-2-5-12(8-11)10-19-16(22)14-9-13(20-17(18)21-14)15-6-3-7-23-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	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	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294505 (2-amino-N-(2-chlorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C16H13ClN4O2/c17-11-5-2-1-4-10(11)9-19-15(22)13-8-12(20-16(18)21-13)14-6-3-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	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	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294503 (2-amino-N-(2-fluorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1F Show InChI InChI=1S/C16H13FN4O2/c17-11-5-2-1-4-10(11)9-19-15(22)13-8-12(20-16(18)21-13)14-6-3-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294510 (2-amino-6-(furan-2-yl)-N-(2-methoxybenzyl)pyrimidi...) Show SMILES COc1ccccc1CNC(=O)c1cc(nc(N)n1)-c1ccco1 Show InChI InChI=1S/C17H16N4O3/c1-23-14-6-3-2-5-11(14)10-19-16(22)13-9-12(20-17(18)21-13)15-7-4-8-24-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294506 (2-amino-N-(3-chlorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C16H13ClN4O2/c17-11-4-1-3-10(7-11)9-19-15(22)13-8-12(20-16(18)21-13)14-5-2-6-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	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	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35785 (pyrimidine-4-carboxamide, 25) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(13-5-3-7-22-13)8-12(20-15)14(21)18-9-10-4-1-2-6-17-10/h1-8H,9H2,(H,18,21)(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294504 (2-amino-N-(3-fluorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(F)c1 Show InChI InChI=1S/C16H13FN4O2/c17-11-4-1-3-10(7-11)9-19-15(22)13-8-12(20-16(18)21-13)14-5-2-6-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	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	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294511 (2-amino-6-(furan-2-yl)-N-(3-methoxybenzyl)pyrimidi...) Show SMILES COc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)c1 Show InChI InChI=1S/C17H16N4O3/c1-23-12-5-2-4-11(8-12)10-19-16(22)14-9-13(20-17(18)21-14)15-6-3-7-24-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	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	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294500 (2-amino-N-((6-aminopyridin-2-yl)methyl)-6-(furan-2...) Show SMILES Nc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)n1 Show InChI InChI=1S/C15H14N6O2/c16-13-5-1-3-9(19-13)8-18-14(22)11-7-10(20-15(17)21-11)12-4-2-6-23-12/h1-7H,8H2,(H2,16,19)(H,18,22)(H2,17,20,21)	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	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294502 (2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carbox...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C16H14N4O2/c17-16-19-12(14-7-4-8-22-14)9-13(20-16)15(21)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,18,21)(H2,17,19,20)	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	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294524 (2-amino-6-(furan-2-yl)-N-((6-(hydroxymethyl)pyridi...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(CO)n1 Show InChI InChI=1S/C16H15N5O3/c17-16-20-12(14-5-2-6-24-14)7-13(21-16)15(23)18-8-10-3-1-4-11(9-22)19-10/h1-7,22H,8-9H2,(H,18,23)(H2,17,20,21)	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	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294499 (2-amino-6-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrim...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(13-4-2-6-22-13)7-12(20-15)14(21)18-9-10-3-1-5-17-8-10/h1-8H,9H2,(H,18,21)(H2,16,19,20)	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	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294509 (2-amino-6-(furan-2-yl)-N-(4-methylbenzyl)pyrimidin...) Show SMILES Cc1ccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)cc1 Show InChI InChI=1S/C17H16N4O2/c1-11-4-6-12(7-5-11)10-19-16(22)14-9-13(20-17(18)21-14)15-3-2-8-23-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	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	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294518 (CHEMBL564224 | N-(2-Amino-6-furan-2-yl-5-nitro-pyr...) Show SMILES COc1ccccc1CC(=O)Nc1nc(N)nc(-c2ccco2)c1[N+]([O-])=O Show InChI InChI=1S/C17H15N5O5/c1-26-11-6-3-2-5-10(11)9-13(23)19-16-15(22(24)25)14(20-17(18)21-16)12-7-4-8-27-12/h2-8H,9H2,1H3,(H3,18,19,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294506 (2-amino-N-(3-chlorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C16H13ClN4O2/c17-11-4-1-3-10(7-11)9-19-15(22)13-8-12(20-16(18)21-13)14-5-2-6-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294523 (2-amino-6-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimid...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccco1 Show InChI InChI=1S/C14H12N4O3/c15-14-17-10(12-4-2-6-21-12)7-11(18-14)13(19)16-8-9-3-1-5-20-9/h1-7H,8H2,(H,16,19)(H2,15,17,18)	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	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294516 (CHEMBL561163 | N-(2-Amino-6-furan-2-yl-5-nitro-pyr...) Show SMILES Nc1nc(NC(=O)c2ccccc2OC(F)(F)F)c(c(n1)-c1ccco1)[N+]([O-])=O Show InChI InChI=1S/C16H10F3N5O5/c17-16(18,19)29-9-5-2-1-4-8(9)14(25)22-13-12(24(26)27)11(21-15(20)23-13)10-6-3-7-28-10/h1-7H,(H3,20,21,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294520 (2-amino-N-(4-chlorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C16H13ClN4O2/c17-11-5-3-10(4-6-11)9-19-15(22)13-8-12(20-16(18)21-13)14-2-1-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	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	17.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294519 (2-amino-N-(4-fluorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C16H13FN4O2/c17-11-5-3-10(4-6-11)9-19-15(22)13-8-12(20-16(18)21-13)14-2-1-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	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	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294514 (CHEMBL562421 | N-(2-Amino-6-furan-2-yl-5-nitro-pyr...) Show SMILES Nc1nc(NC(=O)c2ccccc2F)c(c(n1)-c1ccco1)[N+]([O-])=O Show InChI InChI=1S/C15H10FN5O4/c16-9-5-2-1-4-8(9)14(22)19-13-12(21(23)24)11(18-15(17)20-13)10-6-3-7-25-10/h1-7H,(H3,17,18,19,20,22)	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
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294510 (2-amino-6-(furan-2-yl)-N-(2-methoxybenzyl)pyrimidi...) Show SMILES COc1ccccc1CNC(=O)c1cc(nc(N)n1)-c1ccco1 Show InChI InChI=1S/C17H16N4O3/c1-23-14-6-3-2-5-11(14)10-19-16(22)13-9-12(20-17(18)21-13)15-7-4-8-24-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294508 (2-amino-6-(furan-2-yl)-N-(3-methylbenzyl)pyrimidin...) Show SMILES Cc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)c1 Show InChI InChI=1S/C17H16N4O2/c1-11-4-2-5-12(8-11)10-19-16(22)14-9-13(20-17(18)21-14)15-6-3-7-23-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294504 (2-amino-N-(3-fluorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(F)c1 Show InChI InChI=1S/C16H13FN4O2/c17-11-4-1-3-10(7-11)9-19-15(22)13-8-12(20-16(18)21-13)14-5-2-6-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294501 (2-amino-6-(furan-2-yl)-N-((6-(methoxymethyl)pyridi...) Show SMILES COCc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)n1 Show InChI InChI=1S/C17H17N5O3/c1-24-10-12-5-2-4-11(20-12)9-19-16(23)14-8-13(21-17(18)22-14)15-6-3-7-25-15/h2-8H,9-10H2,1H3,(H,19,23)(H2,18,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294511 (2-amino-6-(furan-2-yl)-N-(3-methoxybenzyl)pyrimidi...) Show SMILES COc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)c1 Show InChI InChI=1S/C17H16N4O3/c1-23-12-5-2-4-11(8-12)10-19-16(22)14-9-13(20-17(18)21-14)15-6-3-7-24-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294503 (2-amino-N-(2-fluorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1F Show InChI InChI=1S/C16H13FN4O2/c17-11-5-2-1-4-10(11)9-19-15(22)13-8-12(20-16(18)21-13)14-6-3-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294502 (2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carbox...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C16H14N4O2/c17-16-19-12(14-7-4-8-22-14)9-13(20-16)15(21)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,18,21)(H2,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50294503 (2-amino-N-(2-fluorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1F Show InChI InChI=1S/C16H13FN4O2/c17-11-5-2-1-4-10(11)9-19-15(22)13-8-12(20-16(18)21-13)14-6-3-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Binding affinity to adenosine A2B receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294505 (2-amino-N-(2-chlorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C16H13ClN4O2/c17-11-5-2-1-4-10(11)9-19-15(22)13-8-12(20-16(18)21-13)14-6-3-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294507 (2-amino-6-(furan-2-yl)-N-(2-methylbenzyl)pyrimidin...) Show SMILES Cc1ccccc1CNC(=O)c1cc(nc(N)n1)-c1ccco1 Show InChI InChI=1S/C17H16N4O2/c1-11-5-2-3-6-12(11)10-19-16(22)14-9-13(20-17(18)21-14)15-7-4-8-23-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294521 (2-amino-6-(furan-2-yl)-N-(4-methoxybenzyl)pyrimidi...) Show SMILES COc1ccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)cc1 Show InChI InChI=1S/C17H16N4O3/c1-23-12-6-4-11(5-7-12)10-19-16(22)14-9-13(20-17(18)21-14)15-3-2-8-24-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	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	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294520 (2-amino-N-(4-chlorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C16H13ClN4O2/c17-11-5-3-10(4-6-11)9-19-15(22)13-8-12(20-16(18)21-13)14-2-1-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294509 (2-amino-6-(furan-2-yl)-N-(4-methylbenzyl)pyrimidin...) Show SMILES Cc1ccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)cc1 Show InChI InChI=1S/C17H16N4O2/c1-11-4-6-12(7-5-11)10-19-16(22)14-9-13(20-17(18)21-14)15-3-2-8-23-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50294511 (2-amino-6-(furan-2-yl)-N-(3-methoxybenzyl)pyrimidi...) Show SMILES COc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)c1 Show InChI InChI=1S/C17H16N4O3/c1-23-12-5-2-4-11(8-12)10-19-16(22)14-9-13(20-17(18)21-14)15-6-3-7-24-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Binding affinity to adenosine A2B receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM35785 (pyrimidine-4-carboxamide, 25) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(13-5-3-7-22-13)8-12(20-15)14(21)18-9-10-4-1-2-6-17-10/h1-8H,9H2,(H,18,21)(H2,16,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294499 (2-amino-6-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrim...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(13-4-2-6-22-13)7-12(20-15)14(21)18-9-10-3-1-5-17-8-10/h1-8H,9H2,(H,18,21)(H2,16,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294500 (2-amino-N-((6-aminopyridin-2-yl)methyl)-6-(furan-2...) Show SMILES Nc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)n1 Show InChI InChI=1S/C15H14N6O2/c16-13-5-1-3-9(19-13)8-18-14(22)11-7-10(20-15(17)21-11)12-4-2-6-23-12/h1-7H,8H2,(H2,16,19)(H,18,22)(H2,17,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50294505 (2-amino-N-(2-chlorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C16H13ClN4O2/c17-11-5-2-1-4-10(11)9-19-15(22)13-8-12(20-16(18)21-13)14-6-3-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Binding affinity to adenosine A2B receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294519 (2-amino-N-(4-fluorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C16H13FN4O2/c17-11-5-3-10(4-6-11)9-19-15(22)13-8-12(20-16(18)21-13)14-2-1-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294513 (CHEMBL540156 | N-(2-Amino-6-furan-2-yl-5-nitro-pyr...) Show SMILES Nc1nc(NC(=O)c2ccncc2)c(c(n1)-c1ccco1)[N+]([O-])=O Show InChI InChI=1S/C14H10N6O4/c15-14-17-10(9-2-1-7-24-9)11(20(22)23)12(19-14)18-13(21)8-3-5-16-6-4-8/h1-7H,(H3,15,17,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	153	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50294510 (2-amino-6-(furan-2-yl)-N-(2-methoxybenzyl)pyrimidi...) Show SMILES COc1ccccc1CNC(=O)c1cc(nc(N)n1)-c1ccco1 Show InChI InChI=1S/C17H16N4O3/c1-23-14-6-3-2-5-11(14)10-19-16(22)13-9-12(20-17(18)21-13)15-7-4-8-24-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Binding affinity to adenosine A2B receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294521 (2-amino-6-(furan-2-yl)-N-(4-methoxybenzyl)pyrimidi...) Show SMILES COc1ccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)cc1 Show InChI InChI=1S/C17H16N4O3/c1-23-12-6-4-11(5-7-12)10-19-16(22)14-9-13(20-17(18)21-14)15-3-2-8-24-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294515 (CHEMBL563034 | N-(2-Amino-6-furan-2-yl-5-nitro-pyr...) Show SMILES COc1ccccc1C(=O)Nc1nc(N)nc(-c2ccco2)c1[N+]([O-])=O Show InChI InChI=1S/C16H13N5O5/c1-25-10-6-3-2-5-9(10)15(22)19-14-13(21(23)24)12(18-16(17)20-14)11-7-4-8-26-11/h2-8H,1H3,(H3,17,18,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50294506 (2-amino-N-(3-chlorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C16H13ClN4O2/c17-11-4-1-3-10(7-11)9-19-15(22)13-8-12(20-16(18)21-13)14-5-2-6-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	184	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Binding affinity to adenosine A2B receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294523 (2-amino-6-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimid...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccco1 Show InChI InChI=1S/C14H12N4O3/c15-14-17-10(12-4-2-6-21-12)7-11(18-14)13(19)16-8-9-3-1-5-20-9/h1-7H,8H2,(H,16,19)(H2,15,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294517 (CHEMBL551177 | N-(2-Amino-6-furan-2-yl-5-nitro-pyr...) Show SMILES Nc1nc(NC(=O)c2cccnc2)c(c(n1)-c1ccco1)[N+]([O-])=O Show InChI InChI=1S/C14H10N6O4/c15-14-17-10(9-4-2-6-24-9)11(20(22)23)12(19-14)18-13(21)8-3-1-5-16-7-8/h1-7H,(H3,15,17,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294524 (2-amino-6-(furan-2-yl)-N-((6-(hydroxymethyl)pyridi...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(CO)n1 Show InChI InChI=1S/C16H15N5O3/c17-16-20-12(14-5-2-6-24-14)7-13(21-16)15(23)18-8-10-3-1-4-11(9-22)19-10/h1-7,22H,8-9H2,(H,18,23)(H2,17,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair

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