Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50022079'   

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))	BDBM50022079 (CHEMBL3298836) Show SMILES CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(cc1)N1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C27H27ClFN5O/c1-2-24-26(34-18-20(28)5-12-25(34)31-24)27(35)30-17-19-3-8-22(9-4-19)32-13-15-33(16-14-32)23-10-6-21(29)7-11-23/h3-12,18H,2,13-17H2,1H3,(H,30,35)	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	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur Korea Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C9 (unknown origin) by LC/MS/MS analysis				J Med Chem 57: 5293-305 (2014) Article DOI: 10.1021/jm5003606 BindingDB Entry DOI: 10.7270/Q2WS8VTR
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