Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50389658'   

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))	BDBM50389658 (CHEMBL2069802) Show SMILES O=C(NCc1ccncc1)c1nnc(CS(=O)(=O)c2ccccc2)o1 Show InChI InChI=1S/C16H14N4O4S/c21-15(18-10-12-6-8-17-9-7-12)16-20-19-14(24-16)11-25(22,23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 coexpressed in Escherichia coli				J Med Chem 55: 1817-30 (2012) Article DOI: 10.1021/jm2013248 BindingDB Entry DOI: 10.7270/Q2XK8GMR
					More data for this Ligand-Target Pair