Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50053304'   

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))	BDBM50053304 (CHEMBL3330410) Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12 Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in supersomes (unknown origin) using MFC as substrate after 30 mins				Bioorg Med Chem 22: 4968-97 (2014) Article DOI: 10.1016/j.bmc.2014.06.027 BindingDB Entry DOI: 10.7270/Q2K35WB2
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