Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50441718'   

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))	BDBM50441718 (CHEMBL2435858) Show SMILES Cc1nc(Oc2ccc(cc2)C(N)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C33H39N5O4/c1-23-26(9-12-31(35-23)42-29-10-7-25(8-11-29)32(34)39)21-36-17-13-28(14-18-36)38-30(24-5-3-2-4-6-24)22-37(33(38)40)27-15-19-41-20-16-27/h2-12,27-28,30H,13-22H2,1H3,(H2,34,39)/t30-/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	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 56: 8049-65 (2013) Article DOI: 10.1021/jm401101p BindingDB Entry DOI: 10.7270/Q2445NX3
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