Compile Data Set for Download or QSAR

Found 198 hits with Last Name = 'dugdale' and Initial = 's'   

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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50364234 (CHEMBL1952279) Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@H](c1ccc(Cl)cc1)c1cccnc1Cl |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	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]SR141716A from human CB1 receptor				Bioorg Med Chem Lett 22: 901-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.032 BindingDB Entry DOI: 10.7270/Q2D79BVH
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50296485 ((R)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...) Show SMILES Clc1ccc(cc1)[C@@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r| Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				Bioorg Med Chem Lett 22: 901-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.032 BindingDB Entry DOI: 10.7270/Q2D79BVH
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50364235 (CHEMBL1952280) Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@@H](c1ccc(Cl)cc1)c1cccnc1Cl |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				Bioorg Med Chem Lett 22: 901-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.032 BindingDB Entry DOI: 10.7270/Q2D79BVH
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50364234 (CHEMBL1952279) Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@H](c1ccc(Cl)cc1)c1cccnc1Cl |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	490	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]CP55940 from human CB2 receptor				Bioorg Med Chem Lett 22: 901-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.032 BindingDB Entry DOI: 10.7270/Q2D79BVH
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50364235 (CHEMBL1952280) Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@@H](c1ccc(Cl)cc1)c1cccnc1Cl |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.02E+3	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]CP55940 from human CB2 receptor				Bioorg Med Chem Lett 22: 901-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.032 BindingDB Entry DOI: 10.7270/Q2D79BVH
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50296485 ((R)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...) Show SMILES Clc1ccc(cc1)[C@@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r| Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09E+4	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]CP55940 from human CB2 receptor				Bioorg Med Chem Lett 22: 901-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.032 BindingDB Entry DOI: 10.7270/Q2D79BVH
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310923 (CHEMBL1077943 | US9120807, 6 | {6-Methylamino-2-[(...) Show SMILES CNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 Show InChI InChI=1S/C18H15N5OS2/c1-19-14-8-12-17(26-14)15(16(24)13-5-3-7-25-13)23-18(22-12)21-10-11-4-2-6-20-9-11/h2-9,19H,10H2,1H3,(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310932 ((+/-)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]...) Show SMILES CC(Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1 Show InChI InChI=1S/C18H19N5OS/c1-12(13-5-4-7-19-11-13)20-18-21-14-6-10-25-16(14)15(22-18)17(24)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310921 (CHEMBL1080068 | {6-Chloro-2-[(pyridin-3-ylmethyl)-...) Show SMILES Clc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 Show InChI InChI=1S/C17H11ClN4OS2/c18-13-7-11-16(25-13)14(15(23)12-4-2-6-24-12)22-17(21-11)20-9-10-3-1-5-19-8-10/h1-8H,9H2,(H,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310909 ((5-methylthiophen-2-yl)(2-(1-(pyridin-3-yl)ethylam...) Show SMILES CC(Nc1nc(C(=O)c2ccc(C)s2)c2sccc2n1)c1cccnc1 Show InChI InChI=1S/C19H16N4OS2/c1-11-5-6-15(26-11)17(24)16-18-14(7-9-25-18)22-19(23-16)21-12(2)13-4-3-8-20-10-13/h3-10,12H,1-2H3,(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310912 ((2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin...) Show SMILES O=C(c1cccs1)c1nc(NCc2cccnc2)nc2ccsc12 Show InChI InChI=1S/C17H12N4OS2/c22-15(13-4-2-7-23-13)14-16-12(5-8-24-16)20-17(21-14)19-10-11-3-1-6-18-9-11/h1-9H,10H2,(H,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310934 ((S)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]py...) Show SMILES C[C@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1 |r| Show InChI InChI=1S/C18H19N5OS/c1-12(13-5-4-7-19-11-13)20-18-21-14-6-10-25-16(14)15(22-18)17(24)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,20,21,22)/t12-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310924 (CHEMBL1080421 | US9120807, 8 | {6-Ethylamino-2-[(p...) Show SMILES CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 Show InChI InChI=1S/C19H17N5OS2/c1-2-21-15-9-13-18(27-15)16(17(25)14-6-4-8-26-14)24-19(23-13)22-11-12-5-3-7-20-10-12/h3-10,21H,2,11H2,1H3,(H,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310908 ((5-methylthiophen-2-yl)(2-(1-(pyridin-2-yl)ethylam...) Show SMILES CC(Nc1nc(C(=O)c2ccc(C)s2)c2sccc2n1)c1ccccn1 Show InChI InChI=1S/C19H16N4OS2/c1-11-6-7-15(26-11)17(24)16-18-14(8-10-25-18)22-19(23-16)21-12(2)13-5-3-4-9-20-13/h3-10,12H,1-2H3,(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310922 (CHEMBL1080241 | US9120807, 9 | {6-Amino-2-[(pyridi...) Show SMILES Nc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 Show InChI InChI=1S/C17H13N5OS2/c18-13-7-11-16(25-13)14(15(23)12-4-2-6-24-12)22-17(21-11)20-9-10-3-1-5-19-8-10/h1-8H,9,18H2,(H,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310925 (CHEMBL1081160 | US9120807, 7 | {6-dimethylamino-2-...) Show SMILES CN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 Show InChI InChI=1S/C19H17N5OS2/c1-24(2)15-9-13-18(27-15)16(17(25)14-6-4-8-26-14)23-19(22-13)21-11-12-5-3-7-20-10-12/h3-10H,11H2,1-2H3,(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310901 ((5-methylthiophen-2-yl)(2-(pyridin-2-ylmethylamino...) Show SMILES Cc1ccc(s1)C(=O)c1nc(NCc2ccccn2)nc2ccsc12 Show InChI InChI=1S/C18H14N4OS2/c1-11-5-6-14(25-11)16(23)15-17-13(7-9-24-17)21-18(22-15)20-10-12-4-2-3-8-19-12/h2-9H,10H2,1H3,(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	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50310912 ((2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin...) Show SMILES O=C(c1cccs1)c1nc(NCc2cccnc2)nc2ccsc12 Show InChI InChI=1S/C17H12N4OS2/c22-15(13-4-2-7-23-13)14-16-12(5-8-24-16)20-17(21-14)19-10-11-3-1-6-18-9-11/h1-9H,10H2,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2A receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310902 ((5-methylthiophen-2-yl)(2-(pyridin-3-ylmethylamino...) Show SMILES Cc1ccc(s1)C(=O)c1nc(NCc2cccnc2)nc2ccsc12 Show InChI InChI=1S/C18H14N4OS2/c1-11-4-5-14(25-11)16(23)15-17-13(6-8-24-17)21-18(22-15)20-10-12-3-2-7-19-9-12/h2-9H,10H2,1H3,(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	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50310921 (CHEMBL1080068 | {6-Chloro-2-[(pyridin-3-ylmethyl)-...) Show SMILES Clc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 Show InChI InChI=1S/C17H11ClN4OS2/c18-13-7-11-16(25-13)14(15(23)12-4-2-6-24-12)22-17(21-11)20-9-10-3-1-5-19-8-10/h1-8H,9H2,(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 Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2A receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310903 ((5-methylthiophen-2-yl)(2-(pyrimidin-4-ylmethylami...) Show SMILES Cc1ccc(s1)C(=O)c1nc(NCc2ccncn2)nc2ccsc12 Show InChI InChI=1S/C17H13N5OS2/c1-10-2-3-13(25-10)15(23)14-16-12(5-7-24-16)21-17(22-14)19-8-11-4-6-18-9-20-11/h2-7,9H,8H2,1H3,(H,19,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50364235 (CHEMBL1952280) Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@@H](c1ccc(Cl)cc1)c1cccnc1Cl |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry				Bioorg Med Chem Lett 22: 901-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.032 BindingDB Entry DOI: 10.7270/Q2D79BVH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50310909 ((5-methylthiophen-2-yl)(2-(1-(pyridin-3-yl)ethylam...) Show SMILES CC(Nc1nc(C(=O)c2ccc(C)s2)c2sccc2n1)c1cccnc1 Show InChI InChI=1S/C19H16N4OS2/c1-11-5-6-15(26-11)17(24)16-18-14(7-9-25-18)22-19(23-16)21-12(2)13-4-3-8-20-10-13/h3-10,12H,1-2H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2A receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310919 (CHEMBL1081873 | pyridin-3-yl(2-(pyridin-3-ylmethyl...) Show SMILES O=C(c1cccnc1)c1nc(NCc2cccnc2)nc2ccsc12 Show InChI InChI=1S/C18H13N5OS/c24-16(13-4-2-7-20-11-13)15-17-14(5-8-25-17)22-18(23-15)21-10-12-3-1-6-19-9-12/h1-9,11H,10H2,(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50296484 ((S)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...) Show SMILES Clc1ccc(cc1)[C@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r| Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry				Bioorg Med Chem Lett 22: 901-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.032 BindingDB Entry DOI: 10.7270/Q2D79BVH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50310903 ((5-methylthiophen-2-yl)(2-(pyrimidin-4-ylmethylami...) Show SMILES Cc1ccc(s1)C(=O)c1nc(NCc2ccncn2)nc2ccsc12 Show InChI InChI=1S/C17H13N5OS2/c1-10-2-3-13(25-10)15(23)14-16-12(5-7-24-16)21-17(22-14)19-8-11-4-6-18-9-20-11/h2-7,9H,8H2,1H3,(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2A receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50310908 ((5-methylthiophen-2-yl)(2-(1-(pyridin-2-yl)ethylam...) Show SMILES CC(Nc1nc(C(=O)c2ccc(C)s2)c2sccc2n1)c1ccccn1 Show InChI InChI=1S/C19H16N4OS2/c1-11-6-7-15(26-11)17(24)16-18-14(8-10-25-18)22-19(23-16)21-12(2)13-5-3-4-9-20-13/h3-10,12H,1-2H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2A receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310927 (2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimi...) Show SMILES CCNC(=O)c1nc(NCc2cccnc2)nc2ccsc12 Show InChI InChI=1S/C15H15N5OS/c1-2-17-14(21)12-13-11(5-7-22-13)19-15(20-12)18-9-10-4-3-6-16-8-10/h3-8H,2,9H2,1H3,(H,17,21)(H,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	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50364259 (CHEMBL1952091) Show SMILES CC1CCN(CC1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl Show InChI InChI=1S/C22H25Cl2N3O2/c1-15-8-11-26(12-9-15)22(28)27-13-18(14-27)29-20(16-4-6-17(23)7-5-16)19-3-2-10-25-21(19)24/h2-7,10,15,18,20H,8-9,11-14H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry				Bioorg Med Chem Lett 22: 901-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.032 BindingDB Entry DOI: 10.7270/Q2D79BVH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50310897 ((2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl)(5-meth...) Show SMILES CCNc1nc(C(=O)c2ccc(C)s2)c2sccc2n1 Show InChI InChI=1S/C14H13N3OS2/c1-3-15-14-16-9-6-7-19-13(9)11(17-14)12(18)10-5-4-8(2)20-10/h4-7H,3H2,1-2H3,(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2A receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310913 ((2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin...) Show SMILES O=C(c1ccsc1)c1nc(NCc2cccnc2)nc2ccsc12 Show InChI InChI=1S/C17H12N4OS2/c22-15(12-3-6-23-10-12)14-16-13(4-7-24-16)20-17(21-14)19-9-11-2-1-5-18-8-11/h1-8,10H,9H2,(H,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310915 ((2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin...) Show SMILES O=C(c1cncs1)c1nc(NCc2cccnc2)nc2ccsc12 Show InChI InChI=1S/C16H11N5OS2/c22-14(12-8-18-9-24-12)13-15-11(3-5-23-15)20-16(21-13)19-7-10-2-1-4-17-6-10/h1-6,8-9H,7H2,(H,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50364258 (CHEMBL1952090) Show SMILES CC1CCCN(C1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl Show InChI InChI=1S/C22H25Cl2N3O2/c1-15-4-3-11-26(12-15)22(28)27-13-18(14-27)29-20(16-6-8-17(23)9-7-16)19-5-2-10-25-21(19)24/h2,5-10,15,18,20H,3-4,11-14H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry				Bioorg Med Chem Lett 22: 901-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.032 BindingDB Entry DOI: 10.7270/Q2D79BVH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50310904 (CHEMBL1078001 | N-(4-(5-methylthiophene-2-carbonyl...) Show SMILES Cc1ccc(s1)C(=O)c1nc(NC(=O)c2cccnc2)nc2ccsc12 Show InChI InChI=1S/C18H12N4O2S2/c1-10-4-5-13(26-10)15(23)14-16-12(6-8-25-16)20-18(21-14)22-17(24)11-3-2-7-19-9-11/h2-9H,1H3,(H,20,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2A receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310914 ((2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin...) Show SMILES O=C(c1nccs1)c1nc(NCc2cccnc2)nc2ccsc12 Show InChI InChI=1S/C16H11N5OS2/c22-13(15-18-5-7-24-15)12-14-11(3-6-23-14)20-16(21-12)19-9-10-2-1-4-17-8-10/h1-8H,9H2,(H,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50310906 ((5-methylthiophen-2-yl)(2-(2-(pyridin-3-yl)ethylam...) Show SMILES Cc1ccc(s1)C(=O)c1nc(NCCc2cccnc2)nc2ccsc12 Show InChI InChI=1S/C19H16N4OS2/c1-12-4-5-15(26-12)17(24)16-18-14(7-10-25-18)22-19(23-16)21-9-6-13-3-2-8-20-11-13/h2-5,7-8,10-11H,6,9H2,1H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2A receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50310901 ((5-methylthiophen-2-yl)(2-(pyridin-2-ylmethylamino...) Show SMILES Cc1ccc(s1)C(=O)c1nc(NCc2ccccn2)nc2ccsc12 Show InChI InChI=1S/C18H14N4OS2/c1-11-5-6-14(25-11)16(23)15-17-13(7-9-24-17)21-18(22-15)20-10-12-4-2-3-8-19-12/h2-9H,10H2,1H3,(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	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2A receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310931 (CHEMBL1078030 | {2-[(Pyridin-3-ylmethyl)-amino]-th...) Show SMILES O=C(N1CCCC1)c1nc(NCc2cccnc2)nc2ccsc12 Show InChI InChI=1S/C17H17N5OS/c23-16(22-7-1-2-8-22)14-15-13(5-9-24-15)20-17(21-14)19-11-12-4-3-6-18-10-12/h3-6,9-10H,1-2,7-8,11H2,(H,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310917 ((2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin...) Show SMILES Cc1ccc(cc1)C(=O)c1nc(NCc2cccnc2)nc2ccsc12 Show InChI InChI=1S/C20H16N4OS/c1-13-4-6-15(7-5-13)18(25)17-19-16(8-10-26-19)23-20(24-17)22-12-14-3-2-9-21-11-14/h2-11H,12H2,1H3,(H,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50310896 ((2-aminothieno[3,2-d]pyrimidin-4-yl)(5-methylthiop...) Show SMILES Cc1ccc(s1)C(=O)c1nc(N)nc2ccsc12 Show InChI InChI=1S/C12H9N3OS2/c1-6-2-3-8(18-6)10(16)9-11-7(4-5-17-11)14-12(13)15-9/h2-5H,1H3,(H2,13,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2A receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50364261 (CHEMBL1952093) Show SMILES Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCC(Cc2ccccc2)CC1)c1cccnc1Cl Show InChI InChI=1S/C28H29Cl2N3O2/c29-23-10-8-22(9-11-23)26(25-7-4-14-31-27(25)30)35-24-18-33(19-24)28(34)32-15-12-21(13-16-32)17-20-5-2-1-3-6-20/h1-11,14,21,24,26H,12-13,15-19H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	237	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry				Bioorg Med Chem Lett 22: 901-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.032 BindingDB Entry DOI: 10.7270/Q2D79BVH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50364234 (CHEMBL1952279) Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@H](c1ccc(Cl)cc1)c1cccnc1Cl |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	242	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry				Bioorg Med Chem Lett 22: 901-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.032 BindingDB Entry DOI: 10.7270/Q2D79BVH
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310929 (2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimi...) Show SMILES O=C(NC1CC1)c1nc(NCc2cccnc2)nc2ccsc12 Show InChI InChI=1S/C16H15N5OS/c22-15(19-11-3-4-11)13-14-12(5-7-23-14)20-16(21-13)18-9-10-2-1-6-17-8-10/h1-2,5-8,11H,3-4,9H2,(H,19,22)(H,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	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310904 (CHEMBL1078001 | N-(4-(5-methylthiophene-2-carbonyl...) Show SMILES Cc1ccc(s1)C(=O)c1nc(NC(=O)c2cccnc2)nc2ccsc12 Show InChI InChI=1S/C18H12N4O2S2/c1-10-4-5-13(26-10)15(23)14-16-12(6-8-25-16)20-18(21-14)22-17(24)11-3-2-7-19-9-11/h2-9H,1H3,(H,20,21,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	287	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310928 (2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimi...) Show SMILES CC(C)NC(=O)c1nc(NCc2cccnc2)nc2ccsc12 Show InChI InChI=1S/C16H17N5OS/c1-10(2)19-15(22)13-14-12(5-7-23-14)20-16(21-13)18-9-11-4-3-6-17-8-11/h3-8,10H,9H2,1-2H3,(H,19,22)(H,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	n/a	n/a	309	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50310905 ((5-methylthiophen-2-yl)(2-(2-(pyridin-2-yl)ethylam...) Show SMILES Cc1ccc(s1)C(=O)c1nc(NCCc2ccccn2)nc2ccsc12 Show InChI InChI=1S/C19H16N4OS2/c1-12-5-6-15(26-12)17(24)16-18-14(8-11-25-18)22-19(23-16)21-10-7-13-4-2-3-9-20-13/h2-6,8-9,11H,7,10H2,1H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	351	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2A receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50364262 (CHEMBL1952094) Show SMILES Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCN(Cc2ccccc2)CC1)c1cccnc1Cl Show InChI InChI=1S/C27H28Cl2N4O2/c28-22-10-8-21(9-11-22)25(24-7-4-12-30-26(24)29)35-23-18-33(19-23)27(34)32-15-13-31(14-16-32)17-20-5-2-1-3-6-20/h1-12,23,25H,13-19H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry				Bioorg Med Chem Lett 22: 901-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.032 BindingDB Entry DOI: 10.7270/Q2D79BVH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50364240 (CHEMBL1952072) Show SMILES Clc1cccc(c1)C(OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-7-4-6-15(12-16)19(18-8-5-9-24-20(18)23)28-17-13-26(14-17)21(27)25-10-2-1-3-11-25/h4-9,12,17,19H,1-3,10-11,13-14H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	375	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry				Bioorg Med Chem Lett 22: 901-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.032 BindingDB Entry DOI: 10.7270/Q2D79BVH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50364268 (CHEMBL1952265) Show SMILES FC1CCN(CC1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl Show InChI InChI=1S/C21H22Cl2FN3O2/c22-15-5-3-14(4-6-15)19(18-2-1-9-25-20(18)23)29-17-12-27(13-17)21(28)26-10-7-16(24)8-11-26/h1-6,9,16-17,19H,7-8,10-13H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	388	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry				Bioorg Med Chem Lett 22: 901-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.032 BindingDB Entry DOI: 10.7270/Q2D79BVH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50310913 ((2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin...) Show SMILES O=C(c1ccsc1)c1nc(NCc2cccnc2)nc2ccsc12 Show InChI InChI=1S/C17H12N4OS2/c22-15(12-3-6-23-10-12)14-16-13(4-7-24-16)20-17(21-14)19-9-11-2-1-5-18-8-11/h1-8,10H,9H2,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	405	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2A receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair

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