Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50536193'   

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))	BDBM50536193 (CHEMBL548646 | GNF-Pf-1447 | TCMDC-125419) Show SMILES C1Cc2ccccc2CN1c1cc(nc(n1)-c1ccncc1)-c1cccnc1 Show InChI InChI=1S/C23H19N5/c1-2-5-20-16-28(13-9-17(20)4-1)22-14-21(19-6-3-10-25-15-19)26-23(27-22)18-7-11-24-12-8-18/h1-8,10-12,14-15H,9,13,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using Diethoxyfluore...				J Med Chem 59: 6101-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00028 BindingDB Entry DOI: 10.7270/Q2H41VZX
					More data for this Ligand-Target Pair