Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50009923   

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))	BDBM50533546 (CHEMBL4462738) Show SMILES CC(C)COc1ncc(Oc2nccc3cc(ccc23)C(=O)NS(C)(=O)=O)cc1Cl Show InChI InChI=1S/C20H20ClN3O5S/c1-12(2)11-28-20-17(21)9-15(10-23-20)29-19-16-5-4-14(8-13(16)6-7-22-19)18(25)24-30(3,26)27/h4-10,12H,11H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human microsomes using diclofenac as substrate coincubated with substrate for 30 mins measured after 5 mins in presence of NA...				J Med Chem 59: 7818-39 (2016) Article DOI: 10.1021/acs.jmedchem.6b00425 BindingDB Entry DOI: 10.7270/Q25Q50KX
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50533554 (CHEMBL4470763) Show SMILES CC(C)COc1ncc(cc1Cl)-c1cc(F)c(cc1F)C(=O)NS(C)(=O)=O Show InChI InChI=1S/C17H17ClF2N2O4S/c1-9(2)8-26-17-13(18)4-10(7-21-17)11-5-15(20)12(6-14(11)19)16(23)22-27(3,24)25/h4-7,9H,8H2,1-3H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human microsomes using diclofenac as substrate coincubated with substrate for 30 mins measured after 5 mins in presence of NA...				J Med Chem 59: 7818-39 (2016) Article DOI: 10.1021/acs.jmedchem.6b00425 BindingDB Entry DOI: 10.7270/Q25Q50KX
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM329203 (4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...) Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1 Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human microsomes using diclofenac as substrate coincubated with substrate for 30 mins measured after 5 mins in presence of NA...				J Med Chem 59: 7818-39 (2016) Article DOI: 10.1021/acs.jmedchem.6b00425 BindingDB Entry DOI: 10.7270/Q25Q50KX
					More data for this Ligand-Target Pair