Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50209984'   

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))	BDBM50209984 (1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-y...) Show SMILES CN1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O |r| Show InChI InChI=1S/C26H36FN5O2S/c1-17-24(18(2)33)35-26(28-17)30-25(34)29-23-16-31(3)12-10-21(23)15-32-11-4-5-20(14-32)13-19-6-8-22(27)9-7-19/h6-9,20-21,23H,4-5,10-16H2,1-3H3,(H2,28,29,30,34)/t20-,21-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 19: 96-9 (2008) Article DOI: 10.1016/j.bmcl.2008.11.002 BindingDB Entry DOI: 10.7270/Q2MG7PCW
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50209984 (1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-y...) Show SMILES CN1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O |r| Show InChI InChI=1S/C26H36FN5O2S/c1-17-24(18(2)33)35-26(28-17)30-25(34)29-23-16-31(3)12-10-21(23)15-32-11-4-5-20(14-32)13-19-6-8-22(27)9-7-19/h6-9,20-21,23H,4-5,10-16H2,1-3H3,(H2,28,29,30,34)/t20-,21-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Bioorg Med Chem Lett 17: 2992-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.065 BindingDB Entry DOI: 10.7270/Q2V987SQ
					More data for this Ligand-Target Pair