Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50385616'   

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))	BDBM50385616 (CHEMBL2042239) Show SMILES CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C20H14Cl2FN3O5/c1-24-19(31)26(8-10-6-11(21)2-4-14(10)23)18(30)20(24)13-7-12(22)3-5-15(13)25(17(20)29)9-16(27)28/h2-7H,8-9H2,1H3,(H,27,28)/t20-/m0/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
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2C9				ACS Med Chem Lett 2: 644-649 (2011) Article DOI: 10.1021/ml2001196 BindingDB Entry DOI: 10.7270/Q28916X5
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