Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50027074'   

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))	BDBM50027074 (CHEMBL3335537) Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 by electrospray ionization				ACS Med Chem Lett 5: 1060-4 (2014) Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM
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