Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50235922'   

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))	BDBM50235922 (CHEMBL4093614) Show SMILES Cl.Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1NC(=O)[C@H]1CCCN1 |r| Show InChI InChI=1S/C20H21FN4O2.ClH/c1-10-17(9-14-13-8-12(21)5-6-15(13)24-19(14)26)23-11(2)18(10)25-20(27)16-4-3-7-22-16;/h5-6,8-9,16,22-23H,3-4,7H2,1-2H3,(H,24,26)(H,25,27);1H/b14-9-;/t16-;/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	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of microsomal CYP2C9 (unknown origin) using diclofenac as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysi...				Eur J Med Chem 127: 72-86 (2017) Article DOI: 10.1016/j.ejmech.2016.12.038 BindingDB Entry DOI: 10.7270/Q2N58PMM
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