Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4/3A5' and Ligand = 'BDBM50485474'   

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 3A4/3A5 (Homo sapiens (Human))	BDBM50485474 (CHEMBL1862838 | DNDI1322027) Show SMILES OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C18H12Cl2FNO/c19-14-5-3-12(4-6-14)18(23,13-2-1-9-22-11-13)16-8-7-15(20)10-17(16)21/h1-11,23H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair