Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM249466'   

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))	BDBM249466 (US10072016, Compound 65 | US10407433, Compound 65 ...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Time dependent inhibition of CYP2D6 in human liver microsomes assessed as equilibrium inhibition binding constant in presence of NADPH by LC-MS/MS an...				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM249466 (US10072016, Compound 65 | US10407433, Compound 65 ...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Time dependent inhibition of CYP2D6 in human liver microsomes measured after 30 mins in presence of NADPH by LC-MS/MS analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM249466 (US10072016, Compound 65 | US10407433, Compound 65 ...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Time dependent inhibition of CYP2D6 in human liver microsomes measured after 30 mins in absence of NADPH by LC-MS/MS analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM249466 (US10072016, Compound 65 | US10407433, Compound 65 ...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6 expressed in insect cell microsomes in presence of NADPH-regenerating system after 15 to 45 mins by fluorescen...				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair