Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50325616'   

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))	BDBM50325616 ((7-fluoro-1H-indol-5-yl)(3-isobutyl pyrrolidin-3-y...) Show SMILES CC(C)CC1(CCNC1)C(=O)c1cc(F)c2[nH]ccc2c1 Show InChI InChI=1S/C17H21FN2O/c1-11(2)9-17(4-6-19-10-17)16(21)13-7-12-3-5-20-15(12)14(18)8-13/h3,5,7-8,11,19-20H,4,6,9-10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50325616 ((7-fluoro-1H-indol-5-yl)(3-isobutyl pyrrolidin-3-y...) Show SMILES CC(C)CC1(CCNC1)C(=O)c1cc(F)c2[nH]ccc2c1 Show InChI InChI=1S/C17H21FN2O/c1-11(2)9-17(4-6-19-10-17)16(21)13-7-12-3-5-20-15(12)14(18)8-13/h3,5,7-8,11,19-20H,4,6,9-10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+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