Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50371877'   

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))	BDBM50371877 (CHEMBL408443) Show SMILES CC(C)C[C@@H](N)C(=O)O[C@H](C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C25H30FN5O4/c1-13(2)8-18(27)25(32)34-15(4)11-33-21-10-31-23(16(21)5)24(28-12-29-31)35-20-7-6-19-17(22(20)26)9-14(3)30-19/h6-7,9-10,12-13,15,18,30H,8,11,27H2,1-5H3/t15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 51: 1976-80 (2008) Article DOI: 10.1021/jm7013309 BindingDB Entry DOI: 10.7270/Q2GH9JTX
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