Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50100556'   

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))	BDBM50100556 (CHEMBL3321845) Show SMILES CN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc12 Show InChI InChI=1S/C20H16Cl2N4O2/c1-25-8-9-26(17-5-3-2-4-16(17)25)20(27)14-11-23-12-24-19(14)28-18-10-13(21)6-7-15(18)22/h2-7,10-12H,8-9H2,1H3	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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chung-Ang University Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsome				Bioorg Med Chem Lett 24: 4271-5 (2014) Article DOI: 10.1016/j.bmcl.2014.07.026 BindingDB Entry DOI: 10.7270/Q261122X
					More data for this Ligand-Target Pair