Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'charlier' and Initial = 'c'   

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 (Rattus norvegicus (rat))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50067499 ((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50067499 ((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50181460 (1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-d...) Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Br)cc2)c(=O)n1-c1ccc(Br)cc1 Show InChI InChI=1S/C21H14Br2N2O2/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,26H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	243	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50181463 (1,3-bis(4-chlorophenyl)-5-phenylimidazolidine-2,4-...) Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H14Cl2N2O2/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,26H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	247	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50181460 (1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-d...) Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Br)cc2)c(=O)n1-c1ccc(Br)cc1 Show InChI InChI=1S/C21H14Br2N2O2/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,26H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	311	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50181463 (1,3-bis(4-chlorophenyl)-5-phenylimidazolidine-2,4-...) Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H14Cl2N2O2/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,26H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	353	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50181462 (1,3-bis(3-iodophenyl)-5-phenyl-2-thioxoimidazolidi...) Show SMILES Oc1c(-c2ccccc2)n(-c2cccc(I)c2)c(=S)n1-c1cccc(I)c1 Show InChI InChI=1S/C21H14I2N2OS/c22-15-8-4-10-17(12-15)24-19(14-6-2-1-3-7-14)20(26)25(21(24)27)18-11-5-9-16(23)13-18/h1-13,26H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	692	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50181458 (5-(4-bromophenyl)-1,3-bis(4-chlorophenyl)imidazoli...) Show SMILES Oc1c(-c2ccc(Br)cc2)n(-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H13BrCl2N2O2/c22-14-3-1-13(2-4-14)19-20(27)26(18-11-7-16(24)8-12-18)21(28)25(19)17-9-5-15(23)6-10-17/h1-12,27H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	905	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50181461 (1,3-bis(4-bromophenyl)-5-phenyl-2-thioxoimidazolid...) Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Br)cc2)c(=S)n1-c1ccc(Br)cc1 Show InChI InChI=1S/C21H14Br2N2OS/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,26H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50181458 (5-(4-bromophenyl)-1,3-bis(4-chlorophenyl)imidazoli...) Show SMILES Oc1c(-c2ccc(Br)cc2)n(-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H13BrCl2N2O2/c22-14-3-1-13(2-4-14)19-20(27)26(18-11-7-16(24)8-12-18)21(28)25(19)17-9-5-15(23)6-10-17/h1-12,27H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50181459 (1,3,5-tris(4-chlorophenyl)imidazolidine-2,4-dione ...) Show SMILES Oc1c(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H13Cl3N2O2/c22-14-3-1-13(2-4-14)19-20(27)26(18-11-7-16(24)8-12-18)21(28)25(19)17-9-5-15(23)6-10-17/h1-12,27H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50181466 (1,3-bis(4,3-dichlorophenyl)-5-phenyl-2-thioxoimida...) Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)c(=S)n1-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H12Cl4N2OS/c22-15-8-6-13(10-17(15)24)26-19(12-4-2-1-3-5-12)20(28)27(21(26)29)14-7-9-16(23)18(25)11-14/h1-11,28H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50181469 (1,3-bis(3-chlorophenyl)-5-phenylimidazolidine-2,4-...) Show SMILES Oc1c(-c2ccccc2)n(-c2cccc(Cl)c2)c(=O)n1-c1cccc(Cl)c1 Show InChI InChI=1S/C21H14Cl2N2O2/c22-15-8-4-10-17(12-15)24-19(14-6-2-1-3-7-14)20(26)25(21(24)27)18-11-5-9-16(23)13-18/h1-13,26H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50181456 (1,3-bis(4-chlorophenyl)-5-phenyl-2-thioxoimidazoli...) Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Cl)cc2)c(=S)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H14Cl2N2OS/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,26H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50181459 (1,3,5-tris(4-chlorophenyl)imidazolidine-2,4-dione ...) Show SMILES Oc1c(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H13Cl3N2O2/c22-14-3-1-13(2-4-14)19-20(27)26(18-11-7-16(24)8-12-18)21(28)25(19)17-9-5-15(23)6-10-17/h1-12,27H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50181455 (1,3-bis(3-chlorophenyl)-5-(4-chlorophenyl)imidazol...) Show SMILES Oc1c(-c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)c(=O)n1-c1cccc(Cl)c1 Show InChI InChI=1S/C21H13Cl3N2O2/c22-14-9-7-13(8-10-14)19-20(27)26(18-6-2-4-16(24)12-18)21(28)25(19)17-5-1-3-15(23)11-17/h1-12,27H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50181472 (5-(4-bromophenyl)-1,3-diphenylimidazolidine-2,4-di...) Show SMILES Oc1c(-c2ccc(Br)cc2)n(-c2ccccc2)c(=O)n1-c1ccccc1 Show InChI InChI=1S/C21H15BrN2O2/c22-16-13-11-15(12-14-16)19-20(25)24(18-9-5-2-6-10-18)21(26)23(19)17-7-3-1-4-8-17/h1-14,25H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50181470 (1,3-bis(4-methylphenyl)-5-phenyl-2-thioxoimidazoli...) Show SMILES Cc1ccc(cc1)-n1c(O)c(-c2ccccc2)n(-c2ccc(C)cc2)c1=S Show InChI InChI=1S/C23H20N2OS/c1-16-8-12-19(13-9-16)24-21(18-6-4-3-5-7-18)22(26)25(23(24)27)20-14-10-17(2)11-15-20/h3-15,26H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50181471 (1,3,5-triphenylimidazolidine-2,4-dione | CHEMBL381...) Show SMILES Oc1c(-c2ccccc2)n(-c2ccccc2)c(=O)n1-c1ccccc1 Show InChI InChI=1S/C21H16N2O2/c24-20-19(16-10-4-1-5-11-16)22(17-12-6-2-7-13-17)21(25)23(20)18-14-8-3-9-15-18/h1-15,24H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50181467 (5-(4-bromophenyl)-1,3-diphenyl-2-thioxoimidazolidi...) Show SMILES Oc1c(-c2ccc(Br)cc2)n(-c2ccccc2)c(=S)n1-c1ccccc1 Show InChI InChI=1S/C21H15BrN2OS/c22-16-13-11-15(12-14-16)19-20(25)24(18-9-5-2-6-10-18)21(26)23(19)17-7-3-1-4-8-17/h1-14,25H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50181468 (1,3-bis(4-methoxyphenyl)-5-phenylimidazolidine-2,4...) Show SMILES COc1ccc(cc1)-n1c(O)c(-c2ccccc2)n(-c2ccc(OC)cc2)c1=O Show InChI InChI=1S/C23H20N2O4/c1-28-19-12-8-17(9-13-19)24-21(16-6-4-3-5-7-16)22(26)25(23(24)27)18-10-14-20(29-2)15-11-18/h3-15,26H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50181465 (5-(4-chlorophenyl)-1,3-diphenylimidazolidine-2,4-d...) Show SMILES Oc1c(-c2ccc(Cl)cc2)n(-c2ccccc2)c(=O)n1-c1ccccc1 Show InChI InChI=1S/C21H15ClN2O2/c22-16-13-11-15(12-14-16)19-20(25)24(18-9-5-2-6-10-18)21(26)23(19)17-7-3-1-4-8-17/h1-14,25H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50181457 (1,3-bis(4-methoxyphenyl)-5-phenyl-2-thioxoimidazol...) Show SMILES COc1ccc(cc1)-n1c(O)c(-c2ccccc2)n(-c2ccc(OC)cc2)c1=S Show InChI InChI=1S/C23H20N2O3S/c1-27-19-12-8-17(9-13-19)24-21(16-6-4-3-5-7-16)22(26)25(23(24)29)18-10-14-20(28-2)15-11-18/h3-15,26H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50181464 (1,3,5-triphenyl-2-thioxoimidazolidin-4-one | CHEMB...) Show SMILES Oc1c(-c2ccccc2)n(-c2ccccc2)c(=S)n1-c1ccccc1 Show InChI InChI=1S/C21H16N2OS/c24-20-19(16-10-4-1-5-11-16)22(17-12-6-2-7-13-17)21(25)23(20)18-14-8-3-9-15-18/h1-15,24H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Innothera Curated by ChEMBL					Assay Description The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 12: 779-82 (2002) BindingDB Entry DOI: 10.7270/Q20864MC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Innothera Curated by ChEMBL					Assay Description The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 2 using osteosarcomes cells				Bioorg Med Chem Lett 12: 779-82 (2002) BindingDB Entry DOI: 10.7270/Q20864MC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50110484 (3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Innothera Curated by ChEMBL					Assay Description The compound was evaluated for its inhibitory activity against 5-lipoxygenase using granulocytes-type cells				Bioorg Med Chem Lett 12: 779-82 (2002) BindingDB Entry DOI: 10.7270/Q20864MC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50156581 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COc1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C2(CCOCC2)OC)cc1-c1ccccc1 Show InChI InChI=1S/C29H29FN2O4/c1-33-26-10-8-25(9-11-26)32-28(21-6-4-3-5-7-21)19-24(31-32)20-36-27-17-22(16-23(30)18-27)29(34-2)12-14-35-15-13-29/h3-11,16-19H,12-15,20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX1 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50110484 (3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50110484 (3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Innothera Curated by ChEMBL					Assay Description The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 2 using osteosarcomes cells				Bioorg Med Chem Lett 12: 779-82 (2002) BindingDB Entry DOI: 10.7270/Q20864MC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50000829 (6-((3-fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1 Show InChI InChI=1S/C23H24FNO4/c1-25-21-5-3-16(11-17(21)4-6-22(25)26)15-29-20-13-18(12-19(24)14-20)23(27-2)7-9-28-10-8-23/h3-6,11-14H,7-10,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156577 (1-(4-aminosulfonylphenyl)-3-[3-fluoro-5-(4-methoxy...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C28H28FN3O5S/c1-35-28(11-13-36-14-12-28)21-15-22(29)17-25(16-21)37-19-23-18-27(20-5-3-2-4-6-20)32(31-23)24-7-9-26(10-8-24)38(30,33)34/h2-10,15-18H,11-14,19H2,1H3,(H2,30,33,34)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50110485 (5-(4-Chloro-phenyl)-3-[3-fluoro-5-(4-methoxy-tetra...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccc(Cl)cc3)n(n2)S(N)(=O)=O)c1 Show InChI InChI=1S/C22H23ClFN3O5S/c1-30-22(6-8-31-9-7-22)16-10-18(24)12-20(11-16)32-14-19-13-21(27(26-19)33(25,28)29)15-2-4-17(23)5-3-15/h2-5,10-13H,6-9,14H2,1H3,(H2,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Innothera Curated by ChEMBL					Assay Description The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 12: 779-82 (2002) BindingDB Entry DOI: 10.7270/Q20864MC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50110483 (2-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2nc(c(o2)S(N)(=O)=O)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C22H22F2N2O6S/c1-29-22(6-8-30-9-7-22)15-10-17(24)12-18(11-15)31-13-19-26-20(21(32-19)33(25,27)28)14-2-4-16(23)5-3-14/h2-5,10-12H,6-9,13H2,1H3,(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Innothera Curated by ChEMBL					Assay Description The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 12: 779-82 (2002) BindingDB Entry DOI: 10.7270/Q20864MC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50177863 (2,5-dichlorophenyl 6-(chloromethyl)-2-oxo-2H-chrom...) Show SMILES ClCc1ccc2oc(=O)c(cc2c1)C(=O)Oc1cc(Cl)ccc1Cl Show InChI InChI=1S/C17H9Cl3O4/c18-8-9-1-4-14-10(5-9)6-12(16(21)23-14)17(22)24-15-7-11(19)2-3-13(15)20/h1-7H,8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibitory activity against human thrombin				J Med Chem 48: 7592-603 (2005) Article DOI: 10.1021/jm050448g BindingDB Entry DOI: 10.7270/Q2V987MG
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50110485 (5-(4-Chloro-phenyl)-3-[3-fluoro-5-(4-methoxy-tetra...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccc(Cl)cc3)n(n2)S(N)(=O)=O)c1 Show InChI InChI=1S/C22H23ClFN3O5S/c1-30-22(6-8-31-9-7-22)16-10-18(24)12-20(11-16)32-14-19-13-21(27(26-19)33(25,28)29)15-2-4-17(23)5-3-15/h2-5,10-13H,6-9,14H2,1H3,(H2,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Innothera Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase activity of compound evaluated as determined by the inhibition of calcium ionophore-induced leukotriene B4 production in...				Bioorg Med Chem Lett 12: 779-82 (2002) BindingDB Entry DOI: 10.7270/Q20864MC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156584 (1-(4-methanesulfonylphenyl)-3-[(3,4,5-trimethoxy)p...) Show SMILES COc1cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)cc(OC)c1OC Show InChI InChI=1S/C26H26N2O6S/c1-31-24-15-21(16-25(32-2)26(24)33-3)34-17-19-14-23(18-8-6-5-7-9-18)28(27-19)20-10-12-22(13-11-20)35(4,29)30/h5-16H,17H2,1-4H3	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
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50110483 (2-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2nc(c(o2)S(N)(=O)=O)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C22H22F2N2O6S/c1-29-22(6-8-30-9-7-22)15-10-17(24)12-18(11-15)31-13-19-26-20(21(32-19)33(25,27)28)14-2-4-16(23)5-3-14/h2-5,10-12H,6-9,13H2,1H3,(H2,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Innothera Curated by ChEMBL					Assay Description The 5-lipoxygenase activity of the compound was determined by the inhibition of calcium ionophore-induced leukotriene B4 production in human blood.				Bioorg Med Chem Lett 12: 779-82 (2002) BindingDB Entry DOI: 10.7270/Q20864MC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50110484 (3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156581 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COc1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C2(CCOCC2)OC)cc1-c1ccccc1 Show InChI InChI=1S/C29H29FN2O4/c1-33-26-10-8-25(9-11-26)32-28(21-6-4-3-5-7-21)19-24(31-32)20-36-27-17-22(16-23(30)18-27)29(34-2)12-14-35-15-13-29/h3-11,16-19H,12-15,20H2,1-2H3	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156594 (3-[(3-fluoro-5-methoxy)phenoxymethyl]-1-(4-methane...) Show SMILES COc1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C24H21FN2O4S/c1-30-21-12-18(25)13-22(15-21)31-16-19-14-24(17-6-4-3-5-7-17)27(26-19)20-8-10-23(11-9-20)32(2,28)29/h3-15H,16H2,1-2H3	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	310	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50038001 ((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...) Show SMILES C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12 Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibitory activity against human thrombin				J Med Chem 48: 7592-603 (2005) Article DOI: 10.1021/jm050448g BindingDB Entry DOI: 10.7270/Q2V987MG
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50120981 (1,1,1-trifluoro-N-(3-phenoxypyridin-4-yl)methanesu...) Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Oc1ccccc1 Show InChI InChI=1S/C12H9F3N2O3S/c13-12(14,15)21(18,19)17-10-6-7-16-8-11(10)20-9-4-2-1-3-5-9/h1-8H,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Université de Liège Curated by ChEMBL					Assay Description The inhibitory activity against cyclooxygenase Prostaglandin G/H synthase 2 (COX-2) measured as PGE-2 production after blood coagulation using human ...				J Med Chem 45: 5182-5 (2002) BindingDB Entry DOI: 10.7270/Q2WS8SM7
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156580 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(C)c(C)c2)c1 Show InChI InChI=1S/C30H31FN2O3/c1-21-9-10-27(15-22(21)2)33-29(23-7-5-4-6-8-23)19-26(32-33)20-36-28-17-24(16-25(31)18-28)30(34-3)11-13-35-14-12-30/h4-10,15-19H,11-14,20H2,1-3H3	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	410	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156590 (1-(4-methanesulfonylphenyl)-3-[(3,4-methylenedioxy...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(COc2ccc3OCOc3c2)cc1-c1ccccc1 Show InChI InChI=1S/C24H20N2O5S/c1-32(27,28)21-10-7-19(8-11-21)26-22(17-5-3-2-4-6-17)13-18(25-26)15-29-20-9-12-23-24(14-20)31-16-30-23/h2-14H,15-16H2,1H3	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	450	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156585 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C28H26F2N2O3/c1-33-28(11-13-34-14-12-28)21-15-23(30)17-26(16-21)35-19-24-18-27(20-5-3-2-4-6-20)32(31-24)25-9-7-22(29)8-10-25/h2-10,15-18H,11-14,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair

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