Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM84745'   

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))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 2829-34 (2009) Article DOI: 10.1016/j.bmcl.2009.03.090 BindingDB Entry DOI: 10.7270/Q2HX1CQX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 incubated for 5 mins by fluorescence assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6 preincubated for 5 mins before fluorescent substrate addition by fluorescence assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 by luminescence assay				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair