Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50060813'   

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))	BDBM50060813 (CHEMBL3394734 | US9458172, 5) Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1 Show InChI InChI=1S/C20H13F2N3O4S/c21-13-6-14(22)8-17(7-13)30(27,28)16-2-1-15(24-10-16)9-25-20(26)18-5-12-3-4-23-11-19(12)29-18/h1-8,10-11H,9H2,(H,25,26)	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50060813 (CHEMBL3394734 | US9458172, 5) Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1 Show InChI InChI=1S/C20H13F2N3O4S/c21-13-6-14(22)8-17(7-13)30(27,28)16-2-1-15(24-10-16)9-25-20(26)18-5-12-3-4-23-11-19(12)29-18/h1-8,10-11H,9H2,(H,25,26)	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 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