Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50325638'   

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 2D6 (Homo sapiens (Human))	BDBM50325638 ((2-(3,3-dimethylbutyl)pyrrolidin-2-yl)(1H-indazol-...) Show SMILES CC(C)(C)CCC1(CCCN1)C(=O)c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C18H25N3O/c1-17(2,3)8-9-18(7-4-10-19-18)16(22)13-5-6-15-14(11-13)12-20-21-15/h5-6,11-12,19H,4,7-10H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 5559-66 (2010) Article DOI: 10.1016/j.bmcl.2010.07.020 BindingDB Entry DOI: 10.7270/Q20865HF
					More data for this Ligand-Target Pair