Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50024217'   

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))	BDBM50024217 (CHEMBL3325537 | US9630929, Example 85) Show SMILES CN1CC[C@@H]([C@@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H21ClF2N4O3S2/c1-28-7-6-16(13-2-4-15(22)5-3-13)14(10-28)11-31-19-8-18(24)20(9-17(19)23)33(29,30)27-21-25-12-26-32-21/h2-5,8-9,12,14,16H,6-7,10-11H2,1H3,(H,25,26,27)/t14-,16-/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	880	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) using diclofenac substrate				Bioorg Med Chem Lett 24: 4397-401 (2014) Article DOI: 10.1016/j.bmcl.2014.08.017 BindingDB Entry DOI: 10.7270/Q2FF3TX9
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