Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2B1' and Ligand = 'BDBM50017716'   

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 2B1 (Rattus norvegicus)	BDBM50017716 (2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...) Show SMILES CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair