Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50111158'   

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 3A4 (Homo sapiens (Human))	BDBM50111158 (CHEMBL3604739) Show SMILES Cc1cc(NCc2c(F)ccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H14Cl2FN3O/c1-9-7-15(10-3-2-4-11(18(22)25)17(10)24-9)23-8-12-14(21)6-5-13(19)16(12)20/h2-7H,8H2,1H3,(H2,22,25)(H,23,24)	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	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 58: 7021-56 (2015) Article DOI: 10.1021/acs.jmedchem.5b00992 BindingDB Entry DOI: 10.7270/Q2542QCX
					More data for this Ligand-Target Pair