Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50310757'   

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))	BDBM50310757 (Bis-N-[(S)-2-(thiazol-5-ylmethoxycarbonylamino)-3-...) Show SMILES CC(C)CN(C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r| Show InChI InChI=1S/C32H39N5O4S2/c1-24(2)18-37(19-27(15-25-9-5-3-6-10-25)35-31(38)40-21-29-17-33-23-43-29)20-28(16-26-11-7-4-8-12-26)36-32(39)41-22-30-34-13-14-42-30/h3-14,17,23-24,27-28H,15-16,18-22H2,1-2H3,(H,35,38)(H,36,39)/t27-,28-/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	110	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair