Affinity Data by PDB ID

PDB code 4WNU

Identical Ligands in BindingDB

Found 30 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by Lineweaver-Burk plot				J Med Chem 52: 626-36 (2009) Article DOI: 10.1021/jm801084u BindingDB Entry DOI: 10.7270/Q29C6X9P
University of Würzburg Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Binding affinity for cytochrome P450 2D6				J Med Chem 47: 5340-6 (2004) Article DOI: 10.1021/jm049934e BindingDB Entry DOI: 10.7270/Q2R49RJH
University of Leicester Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal CYP2D6 using {3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy-4-methylcoumarin} as substrate assessed as ...				J Med Chem 56: 7851-61 (2013) Article DOI: 10.1021/jm400766k BindingDB Entry DOI: 10.7270/Q290257C
Universidad Complutense de Madrid Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of MAMC O-dealkylation mediated by human Cytochrome P450 2D6 expressed in human lymphoblastoid cell line				J Med Chem 46: 74-86 (2002) Article DOI: 10.1021/jm0209578 BindingDB Entry DOI: 10.7270/Q2K64JSD
Vrije Universiteit Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<6	n/a	n/a	n/a	n/a	n/a	n/a
Chung-Ang University Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsome				Bioorg Med Chem Lett 24: 4271-5 (2014) Article DOI: 10.1016/j.bmcl.2014.07.026 BindingDB Entry DOI: 10.7270/Q261122X
Chung-Ang University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
Universit£ di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of CYP2D6 after 30 mins by fluorometric assay				J Nat Prod 74: 102-5 (2011) Article DOI: 10.1021/np100665j BindingDB Entry DOI: 10.7270/Q2H70GT7
University of Toyama Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibitory concentration against cytochrome P450 2D6				J Med Chem 47: 5340-6 (2004) Article DOI: 10.1021/jm049934e BindingDB Entry DOI: 10.7270/Q2R49RJH
University of Leicester Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 54: 534-47 (2011) Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 51: 2158-69 (2008) Article DOI: 10.1021/jm701447v BindingDB Entry DOI: 10.7270/Q29G5NPZ
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in baculovirus-infected insect microsomes				J Med Chem 54: 2307-19 (2011) Article DOI: 10.1021/jm101470k BindingDB Entry DOI: 10.7270/Q2765FM6
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 expressed in baculovirus-infected insect microsomes				J Med Chem 51: 6138-49 (2008) Article DOI: 10.1021/jm800683c BindingDB Entry DOI: 10.7270/Q22J6BP4
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 expressed in insect microsomes				J Med Chem 51: 5064-74 (2008) Article DOI: 10.1021/jm800377h BindingDB Entry DOI: 10.7270/Q2Z89C75
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 using MFC as substrate incubated for 40 mins by fluorimetry				Eur J Med Chem 117: 256-68 (2016) Article DOI: 10.1016/j.ejmech.2016.03.083 BindingDB Entry DOI: 10.7270/Q22V2J1P
Universit£ Lille Nord de France Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Eur J Med Chem 101: 627-39 (2015) Article DOI: 10.1016/j.ejmech.2015.06.029 BindingDB Entry DOI: 10.7270/Q2QF8VPZ
Ghent University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in baculovirus-infected insect cell system				J Med Chem 52: 626-36 (2009) Article DOI: 10.1021/jm801084u BindingDB Entry DOI: 10.7270/Q29C6X9P
University of Würzburg Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation after 4 to 40 mins in presence of NADPH by LCMS analysis				Bioorg Med Chem 26: 2996-3005 (2018) Article DOI: 10.1016/j.bmc.2018.05.006 BindingDB Entry DOI: 10.7270/Q2K076SB
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Korea University of Science and Technology (UST) Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin) using luciferin tagged substrate preincubated for 10 mins before substrate addition				Eur J Med Chem 103: 210-22 (2015) Article DOI: 10.1016/j.ejmech.2015.08.001 BindingDB Entry DOI: 10.7270/Q2DR2XBB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 5 to 15 mins				ACS Med Chem Lett 8: 321-326 (2017) Article DOI: 10.1021/acsmedchemlett.6b00491 BindingDB Entry DOI: 10.7270/Q21J9D2Q
Global Blood Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in pooled human hepatic microsomes using dextromethorphan substrate in presence of NADPH				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Palacky University in Olomouc Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6 by P450-Glo luminescence assay				J Med Chem 59: 4601-10 (2016) Article DOI: 10.1021/acs.jmedchem.5b01891 BindingDB Entry DOI: 10.7270/Q2D220JZ
Palacky University in Olomouc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Medical and Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by radiometric assay				J Nat Prod 67: 1079-83 (2004) Article DOI: 10.1021/np030556a BindingDB Entry DOI: 10.7270/Q2668CZP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Medical and Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human liver microsome CYP2D6 in assessed as [14C]formaldehyde formation				J Nat Prod 68: 64-8 (2005) Article DOI: 10.1021/np0401765 BindingDB Entry DOI: 10.7270/Q26M37Q4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after...				Bioorg Med Chem 26: 3242-3253 (2018) Article DOI: 10.1016/j.bmc.2018.04.054 BindingDB Entry DOI: 10.7270/Q21R6T5Z
Shenyang Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Laval Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin) using AMMC by fluorescence assay				Bioorg Med Chem 22: 5847-59 (2014) Article DOI: 10.1016/j.bmc.2014.09.026 BindingDB Entry DOI: 10.7270/Q2BG2S0T
Universit£ Laval Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after...				Eur J Med Chem 137: 96-107 (2017) Article DOI: 10.1016/j.ejmech.2017.05.043 BindingDB Entry DOI: 10.7270/Q2833VHB
Shenyang Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after...				Bioorg Med Chem 25: 750-758 (2017) Article DOI: 10.1016/j.bmc.2016.11.051 BindingDB Entry DOI: 10.7270/Q2HD7XM9
Shenyang Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate upto 10 uM after 20 mins in presence of NADPH by LC-MS/MS analysis				J Med Chem 61: 224-250 (2018) Article DOI: 10.1021/acs.jmedchem.7b01300 BindingDB Entry DOI: 10.7270/Q289189X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (465/475 = 98%)^† (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 expressed in baculovirus-infected insect microsomes				J Med Chem 51: 8077-87 (2008) Article DOI: 10.1021/jm800888q BindingDB Entry DOI: 10.7270/Q23B6008
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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Change energy units to: kcal/mole

Search BindingMOAD for More Affinity Data:

_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output