Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4/3A43/3A5/3A7' and Ligand = 'BDBM50527104'   

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 3A4/3A43/3A5/3A7 (Homo sapiens (Human))	BDBM50527104 (CHEMBL4447583) Show SMILES Cc1cc([nH]c1C(=O)N[C@@H](CN)c1ncc(CO)s1)-c1ccc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C18H18F3N5O2S/c1-9-4-13(12-3-2-10(6-23-12)18(19,20)21)25-15(9)16(28)26-14(5-22)17-24-7-11(8-27)29-17/h2-4,6-7,14,25,27H,5,8,22H2,1H3,(H,26,28)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>6.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP3A in human liver microsomes using testosterone as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 ...				J Med Chem 63: 1724-1749 (2020) Article DOI: 10.1021/acs.jmedchem.9b02149 BindingDB Entry DOI: 10.7270/Q2X63RC7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A43/3A5/3A7 (Homo sapiens (Human))	BDBM50527104 (CHEMBL4447583) Show SMILES Cc1cc([nH]c1C(=O)N[C@@H](CN)c1ncc(CO)s1)-c1ccc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C18H18F3N5O2S/c1-9-4-13(12-3-2-10(6-23-12)18(19,20)21)25-15(9)16(28)26-14(5-22)17-24-7-11(8-27)29-17/h2-4,6-7,14,25,27H,5,8,22H2,1H3,(H,26,28)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP3A in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to ...				J Med Chem 63: 1724-1749 (2020) Article DOI: 10.1021/acs.jmedchem.9b02149 BindingDB Entry DOI: 10.7270/Q2X63RC7
					More data for this Ligand-Target Pair