Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50197860'   

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))	BDBM50197860 (4'-chloro-biphenyl-4-sulfonic acid (8-isopropylami...) Show SMILES CC(C)Nc1cc2CCN(C)CCc2cc1NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H30ClN3O2S/c1-18(2)28-25-16-21-12-14-30(3)15-13-22(21)17-26(25)29-33(31,32)24-10-6-20(7-11-24)19-4-8-23(27)9-5-19/h4-11,16-18,28-29H,12-15H2,1-3H3	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	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
UK. Vinc Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 17: 400-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.036 BindingDB Entry DOI: 10.7270/Q2668CVB
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