Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50030491   

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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50296980 ((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-21(25)26)17-4-2-3-5-19(17)24(20)13-15/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50296982 ((R)-2-(9-(4-fluoro-N-methylphenylsulfonamido)-7,8,...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)n3ccccc3c2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-8-5-14(22)6-9-16)15-7-10-17-18(12-15)19-4-2-3-11-24(19)20(17)13-21(25)26/h2-6,8-9,11,15H,7,10,12-13H2,1H3,(H,25,26)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50296986 ((R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-6,7,...) Show SMILES CN([C@@H]1CCc2c(C1)c1nccnc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H19FN4O4S/c1-23(29(27,28)14-5-2-12(20)3-6-14)13-4-7-16-15(10-13)18-19(22-9-8-21-18)24(16)11-17(25)26/h2-3,5-6,8-9,13H,4,7,10-11H2,1H3,(H,25,26)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50161746 ((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...) Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50296981 ((R)-2-(3-(4-fluoro-N-methylphenylsulfonamido)-1,2,...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccn3c2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-8-5-14(22)6-9-16)15-7-10-17-18(13-21(25)26)19-4-2-3-11-24(19)20(17)12-15/h2-6,8-9,11,15H,7,10,12-13H2,1H3,(H,25,26)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50296979 (2-((3R)-3-(4-fluoro-N-methylphenylsulfonamido)-3,4...) Show SMILES CN([C@@H]1CCC2=C(C1)C1C=CC=CC1N2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r,c:5,10,12| Show InChI InChI=1S/C21H23FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15,17,19H,8,11-13H2,1H3,(H,25,26)/t15-,17?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50296987 ((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ncccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-7-4-13(21)5-8-15)14-6-9-17-16(11-19(25)26)20-18(24(17)12-14)3-2-10-22-20/h2-5,7-8,10,14H,6,9,11-12H2,1H3,(H,25,26)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50296978 (2-(4,6-bis(dimethylamino)-2-(4-(4-(trifluoromethyl...) Show SMILES CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)nc(N(C)C)c1CC(O)=O Show InChI InChI=1S/C25H26F3N5O3/c1-32(2)22-19(14-21(34)35)23(33(3)4)31-20(30-22)13-15-5-11-18(12-6-15)29-24(36)16-7-9-17(10-8-16)25(26,27)28/h5-12H,13-14H2,1-4H3,(H,29,36)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50296983 ((R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-6,7,...) Show SMILES CN([C@@H]1CCc2c(C1)c1ncccc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-7-4-13(21)5-8-15)14-6-9-17-16(11-14)20-18(3-2-10-22-20)24(17)12-19(25)26/h2-5,7-8,10,14H,6,9,11-12H2,1H3,(H,25,26)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50296984 ((R)-2-(6-(4-fluoro-N-methylphenylsulfonamido)-7,8-...) Show SMILES CN([C@@H]1CCc2c(C1)c1ccncc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-5-2-13(21)3-6-15)14-4-7-18-17(10-14)16-8-9-22-11-19(16)24(18)12-20(25)26/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50296985 ((R)-2-(6-(4-fluoro-N-methylphenylsulfonamido)-7,8-...) Show SMILES CN([C@@H]1CCc2c(C1)c1cccnc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-7-4-13(21)5-8-15)14-6-9-18-17(11-14)16-3-2-10-22-20(16)24(18)12-19(25)26/h2-5,7-8,10,14H,6,9,11-12H2,1H3,(H,25,26)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50296977 (2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...) Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair