Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50031424   

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 A2b (Homo sapiens (Human))	BDBM50313071 (7-(furan-2-yl)-6-(pyrimidin-4-yl)pyrido[2,3-d]pyri...) Show SMILES O=c1[nH]c2nc(-c3ccco3)c(cc2c(=O)[nH]1)-c1ccncn1 Show InChI InChI=1S/C15H9N5O3/c21-14-9-6-8(10-3-4-16-7-17-10)12(11-2-1-5-23-11)18-13(9)19-15(22)20-14/h1-7H,(H2,18,19,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313073 (6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-...) Show SMILES O=c1[nH][nH]c2nc(-c3ccco3)c(cc12)-c1ccncn1 Show InChI InChI=1S/C14H9N5O2/c20-14-9-6-8(10-3-4-15-7-16-10)12(11-2-1-5-21-11)17-13(9)18-19-14/h1-7H,(H2,17,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312966 (CHEMBL1081971 | N-(6-(furan-2-yl)-5-(pyrimidin-4-y...) Show SMILES O=C(Nc1ccc(-c2ccncn2)c(n1)-c1ccco1)C1CC1 Show InChI InChI=1S/C17H14N4O2/c22-17(11-3-4-11)21-15-6-5-12(13-7-8-18-10-19-13)16(20-15)14-2-1-9-23-14/h1-2,5-11H,3-4H2,(H,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313078 (5-(furan-2-yl)-6-(pyrimidin-4-yl)-1H-imidazo[4,5-b...) Show SMILES O=c1[nH]c2cc(-c3ccncn3)c(nc2[nH]1)-c1ccco1 Show InChI InChI=1S/C14H9N5O2/c20-14-17-10-6-8(9-3-4-15-7-16-9)12(18-13(10)19-14)11-2-1-5-21-11/h1-7H,(H2,17,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313076 (6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-...) Show SMILES Nc1n[nH]c2nc(-c3ccco3)c(cc12)-c1ccncn1 Show InChI InChI=1S/C14H10N6O/c15-13-9-6-8(10-3-4-16-7-17-10)12(11-2-1-5-21-11)18-14(9)20-19-13/h1-7H,(H3,15,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313077 (5-(furan-2-yl)-1-methyl-6-(pyrimidin-4-yl)-1H-imid...) Show SMILES Cn1c2cc(-c3ccncn3)c(nc2[nH]c1=O)-c1ccco1 Show InChI InChI=1S/C15H11N5O2/c1-20-11-7-9(10-4-5-16-8-17-10)13(12-3-2-6-22-12)18-14(11)19-15(20)21/h2-8H,1H3,(H,18,19,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313072 (6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrrolo[2,3-b...) Show SMILES c1coc(c1)-c1nc2[nH]ccc2cc1-c1ccncn1 Show InChI InChI=1S/C15H10N4O/c1-2-13(20-7-1)14-11(12-4-5-16-9-18-12)8-10-3-6-17-15(10)19-14/h1-9H,(H,17,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313074 (5-(furan-2-yl)-6-(pyrimidin-4-yl)-3H-imidazo[4,5-b...) Show SMILES c1coc(c1)-c1nc2nc[nH]c2cc1-c1ccncn1 Show InChI InChI=1S/C14H9N5O/c1-2-12(20-5-1)13-9(10-3-4-15-7-16-10)6-11-14(19-13)18-8-17-11/h1-8H,(H,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313075 (6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-...) Show SMILES c1coc(c1)-c1nc2[nH]ncc2cc1-c1ccncn1 Show InChI InChI=1S/C14H9N5O/c1-2-12(20-5-1)13-10(11-3-4-15-8-16-11)6-9-7-17-19-14(9)18-13/h1-8H,(H,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50313073 (6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-...) Show SMILES O=c1[nH][nH]c2nc(-c3ccco3)c(cc12)-c1ccncn1 Show InChI InChI=1S/C14H9N5O2/c20-14-9-6-8(10-3-4-15-7-16-10)12(11-2-1-5-21-11)17-13(9)18-19-14/h1-7H,(H2,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50313073 (6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-...) Show SMILES O=c1[nH][nH]c2nc(-c3ccco3)c(cc12)-c1ccncn1 Show InChI InChI=1S/C14H9N5O2/c20-14-9-6-8(10-3-4-15-7-16-10)12(11-2-1-5-21-11)17-13(9)18-19-14/h1-7H,(H2,17,18,19,20)	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	177	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50313071 (7-(furan-2-yl)-6-(pyrimidin-4-yl)pyrido[2,3-d]pyri...) Show SMILES O=c1[nH]c2nc(-c3ccco3)c(cc2c(=O)[nH]1)-c1ccncn1 Show InChI InChI=1S/C15H9N5O3/c21-14-9-6-8(10-3-4-16-7-17-10)12(11-2-1-5-23-11)18-13(9)19-15(22)20-14/h1-7H,(H2,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50312966 (CHEMBL1081971 | N-(6-(furan-2-yl)-5-(pyrimidin-4-y...) Show SMILES O=C(Nc1ccc(-c2ccncn2)c(n1)-c1ccco1)C1CC1 Show InChI InChI=1S/C17H14N4O2/c22-17(11-3-4-11)21-15-6-5-12(13-7-8-18-10-19-13)16(20-15)14-2-1-9-23-14/h1-2,5-11H,3-4H2,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	239	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50313072 (6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrrolo[2,3-b...) Show SMILES c1coc(c1)-c1nc2[nH]ccc2cc1-c1ccncn1 Show InChI InChI=1S/C15H10N4O/c1-2-13(20-7-1)14-11(12-4-5-16-9-18-12)8-10-3-6-17-15(10)19-14/h1-9H,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50313078 (5-(furan-2-yl)-6-(pyrimidin-4-yl)-1H-imidazo[4,5-b...) Show SMILES O=c1[nH]c2cc(-c3ccncn3)c(nc2[nH]1)-c1ccco1 Show InChI InChI=1S/C14H9N5O2/c20-14-17-10-6-8(9-3-4-15-7-16-9)12(18-13(10)19-14)11-2-1-5-21-11/h1-7H,(H2,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	317	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50313076 (6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-...) Show SMILES Nc1n[nH]c2nc(-c3ccco3)c(cc12)-c1ccncn1 Show InChI InChI=1S/C14H10N6O/c15-13-9-6-8(10-3-4-16-7-17-10)12(11-2-1-5-21-11)18-14(9)20-19-13/h1-7H,(H3,15,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	357	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50313075 (6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-...) Show SMILES c1coc(c1)-c1nc2[nH]ncc2cc1-c1ccncn1 Show InChI InChI=1S/C14H9N5O/c1-2-12(20-5-1)13-10(11-3-4-15-8-16-11)6-9-7-17-19-14(9)18-13/h1-8H,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	478	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50313072 (6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrrolo[2,3-b...) Show SMILES c1coc(c1)-c1nc2[nH]ccc2cc1-c1ccncn1 Show InChI InChI=1S/C15H10N4O/c1-2-13(20-7-1)14-11(12-4-5-16-9-18-12)8-10-3-6-17-15(10)19-14/h1-9H,(H,17,19)	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	619	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50313074 (5-(furan-2-yl)-6-(pyrimidin-4-yl)-3H-imidazo[4,5-b...) Show SMILES c1coc(c1)-c1nc2nc[nH]c2cc1-c1ccncn1 Show InChI InChI=1S/C14H9N5O/c1-2-12(20-5-1)13-9(10-3-4-15-7-16-10)6-11-14(19-13)18-8-17-11/h1-8H,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	717	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50313078 (5-(furan-2-yl)-6-(pyrimidin-4-yl)-1H-imidazo[4,5-b...) Show SMILES O=c1[nH]c2cc(-c3ccncn3)c(nc2[nH]1)-c1ccco1 Show InChI InChI=1S/C14H9N5O2/c20-14-17-10-6-8(9-3-4-15-7-16-9)12(18-13(10)19-14)11-2-1-5-21-11/h1-7H,(H2,17,18,19,20)	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	769	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50313076 (6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-...) Show SMILES Nc1n[nH]c2nc(-c3ccco3)c(cc12)-c1ccncn1 Show InChI InChI=1S/C14H10N6O/c15-13-9-6-8(10-3-4-16-7-17-10)12(11-2-1-5-21-11)18-14(9)20-19-13/h1-7H,(H3,15,18,19,20)	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	858	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50312966 (CHEMBL1081971 | N-(6-(furan-2-yl)-5-(pyrimidin-4-y...) Show SMILES O=C(Nc1ccc(-c2ccncn2)c(n1)-c1ccco1)C1CC1 Show InChI InChI=1S/C17H14N4O2/c22-17(11-3-4-11)21-15-6-5-12(13-7-8-18-10-19-13)16(20-15)14-2-1-9-23-14/h1-2,5-11H,3-4H2,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	931	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50313075 (6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-...) Show SMILES c1coc(c1)-c1nc2[nH]ncc2cc1-c1ccncn1 Show InChI InChI=1S/C14H9N5O/c1-2-12(20-5-1)13-10(11-3-4-15-8-16-11)6-9-7-17-19-14(9)18-13/h1-8H,(H,17,18,19)	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	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50313071 (7-(furan-2-yl)-6-(pyrimidin-4-yl)pyrido[2,3-d]pyri...) Show SMILES O=c1[nH]c2nc(-c3ccco3)c(cc2c(=O)[nH]1)-c1ccncn1 Show InChI InChI=1S/C15H9N5O3/c21-14-9-6-8(10-3-4-16-7-17-10)12(11-2-1-5-23-11)18-13(9)19-15(22)20-14/h1-7H,(H2,18,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50313077 (5-(furan-2-yl)-1-methyl-6-(pyrimidin-4-yl)-1H-imid...) Show SMILES Cn1c2cc(-c3ccncn3)c(nc2[nH]c1=O)-c1ccco1 Show InChI InChI=1S/C15H11N5O2/c1-20-11-7-9(10-4-5-16-8-17-10)13(12-3-2-6-22-12)18-14(11)19-15(20)21/h2-8H,1H3,(H,18,19,21)	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	2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50313077 (5-(furan-2-yl)-1-methyl-6-(pyrimidin-4-yl)-1H-imid...) Show SMILES Cn1c2cc(-c3ccncn3)c(nc2[nH]c1=O)-c1ccco1 Show InChI InChI=1S/C15H11N5O2/c1-20-11-7-9(10-4-5-16-8-17-10)13(12-3-2-6-22-12)18-14(11)19-15(20)21/h2-8H,1H3,(H,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50313074 (5-(furan-2-yl)-6-(pyrimidin-4-yl)-3H-imidazo[4,5-b...) Show SMILES c1coc(c1)-c1nc2nc[nH]c2cc1-c1ccncn1 Show InChI InChI=1S/C14H9N5O/c1-2-12(20-5-1)13-9(10-3-4-15-7-16-10)6-11-14(19-13)18-8-17-11/h1-8H,(H,17,18,19)	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	3.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50312966 (CHEMBL1081971 | N-(6-(furan-2-yl)-5-(pyrimidin-4-y...) Show SMILES O=C(Nc1ccc(-c2ccncn2)c(n1)-c1ccco1)C1CC1 Show InChI InChI=1S/C17H14N4O2/c22-17(11-3-4-11)21-15-6-5-12(13-7-8-18-10-19-13)16(20-15)14-2-1-9-23-14/h1-2,5-11H,3-4H2,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50313071 (7-(furan-2-yl)-6-(pyrimidin-4-yl)pyrido[2,3-d]pyri...) Show SMILES O=c1[nH]c2nc(-c3ccco3)c(cc2c(=O)[nH]1)-c1ccncn1 Show InChI InChI=1S/C15H9N5O3/c21-14-9-6-8(10-3-4-16-7-17-10)12(11-2-1-5-23-11)18-13(9)19-15(22)20-14/h1-7H,(H2,18,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair