Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50197858'   

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))	BDBM50197858 (4'-chloro-biphenyl-4-sulfonic acid (3-methyl-2,3,4...) Show SMILES CN1CCc2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2CC1 Show InChI InChI=1S/C23H23ClN2O2S/c1-26-14-12-19-4-9-22(16-20(19)13-15-26)25-29(27,28)23-10-5-18(6-11-23)17-2-7-21(24)8-3-17/h2-11,16,25H,12-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.80E+4	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
					More data for this Ligand-Target Pair