Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50138611'   

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))	BDBM50138611 (CHEMBL150614 | N-(9-Ethyl-9H-carbazol-3-yl)-2-{4-[...) Show SMILES CCn1c2ccccc2c2cc(NC(=O)CN3CCN(C[C@@H](O)COc4ccc5sc(C)nc5c4)CC3)ccc12 Show InChI InChI=1S/C31H35N5O3S/c1-3-36-28-7-5-4-6-25(28)26-16-22(8-10-29(26)36)33-31(38)19-35-14-12-34(13-15-35)18-23(37)20-39-24-9-11-30-27(17-24)32-21(2)40-30/h4-11,16-17,23,37H,3,12-15,18-20H2,1-2H3,(H,33,38)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 2C9 of isolated guinea pig heart				Bioorg Med Chem Lett 14: 549-52 (2003) BindingDB Entry DOI: 10.7270/Q2GH9HD4
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