Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50060817'   

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))	BDBM50060817 (CHEMBL3394730) Show SMILES CCCn1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1 Show InChI InChI=1S/C21H20N4O4S/c1-2-9-25-14-18(12-24-25)30(27,28)17-5-3-15(4-6-17)11-23-21(26)19-10-16-7-8-22-13-20(16)29-19/h3-8,10,12-14H,2,9,11H2,1H3,(H,23,26)	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	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4 in human liver microsomes using midazolam as substrate				Bioorg Med Chem Lett 25: 529-41 (2015) Article DOI: 10.1016/j.bmcl.2014.12.026 BindingDB Entry DOI: 10.7270/Q2736SK7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50060817 (CHEMBL3394730) Show SMILES CCCn1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1 Show InChI InChI=1S/C21H20N4O4S/c1-2-9-25-14-18(12-24-25)30(27,28)17-5-3-15(4-6-17)11-23-21(26)19-10-16-7-8-22-13-20(16)29-19/h3-8,10,12-14H,2,9,11H2,1H3,(H,23,26)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4 in human liver microsomes using testosterone as substrate				Bioorg Med Chem Lett 25: 529-41 (2015) Article DOI: 10.1016/j.bmcl.2014.12.026 BindingDB Entry DOI: 10.7270/Q2736SK7
					More data for this Ligand-Target Pair