Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50357287'   

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))	BDBM50357287 (CHEMBL1916686) Show SMILES COc1ccc(CC(O)=O)cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C27H24F3NO5/c1-16-25(18-6-4-3-5-7-18)36-26(34)31(16)15-19-14-20(27(28,29)30)9-10-21(19)22-12-17(13-24(32)33)8-11-23(22)35-2/h3-12,14,16,25H,13,15H2,1-2H3,(H,32,33)/t16-,25-/m0/s1	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 21: 6608-12 (2011) Article DOI: 10.1016/j.bmcl.2011.01.024 BindingDB Entry DOI: 10.7270/Q2513ZM9
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