Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50310766'   

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))	BDBM50310766 (Bis-N-[(S)-2-(thiazol-5-ylmethoxycarbonylamino)-3-...) Show SMILES O=C(N[C@H](CN(C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1cccnc1)Cc1ccccc1)OCc1cncs1 |r| Show InChI InChI=1S/C34H36N6O4S2/c41-33(43-23-31-19-36-25-46-31)38-29(16-26-8-3-1-4-9-26)21-40(20-28-12-7-13-35-18-28)22-30(17-27-10-5-2-6-11-27)39-34(42)44-24-32-37-14-15-45-32/h1-15,18-19,25,29-30H,16-17,20-24H2,(H,38,41)(H,39,42)/t29-,30-/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	66	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
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