Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50115393'   

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))	BDBM50115393 (CHEMBL3608458) Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(N[C@@H]2C[C@H](O)[C@@H](F)C2)n1)c1ccccc1 |r| Show InChI InChI=1S/C25H28FN5O3/c26-19-12-18(13-23(19)33)28-25-27-8-7-20(29-25)17-11-21-24(34)31(10-4-9-30(21)14-17)22(15-32)16-5-2-1-3-6-16/h1-3,5-8,11,14,18-19,22-23,32-33H,4,9-10,12-13,15H2,(H,27,28,29)/t18-,19-,22+,23-/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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 25: 3788-92 (2015) Article DOI: 10.1016/j.bmcl.2015.07.091 BindingDB Entry DOI: 10.7270/Q2G44S3Q
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