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TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 0.0450nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50175387(2-[((2R)-3-{[1,1-Dimethyl-2-(2-naphthalenyl)ethyl]...)
Affinity DataIC50: 0.100nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 0.590nMAssay Description:Inhibition of CYP2D6 in human liver microsomes after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50268077((S)-4-(2-hydroxy-3-(1-(4-methoxyphenyl)-2-methylpr...)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of CYP2D6 (unknown origin) using EOMCC as a substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 2nMAssay Description:Inhibition of human recombinant microsomal CYP2D6 using {3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy-4-methylcoumarin} as substrate assessed as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50314267((+)-(S)-N,N-dimethyl-2-(3-(1-(pyridin-3-yl)ethyl)b...)
Affinity DataIC50: 2nMAssay Description:Inhibition of recombinant CYP2D6 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50297374(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)
Affinity DataIC50: 2.60nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50378146(CHEMBL1204009)
Affinity DataIC50: 3nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM493606(US10988445, Example 202)
Affinity DataIC50: 3nMAssay Description:Inhibition of CYP2D6 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 3.30nMAssay Description:Inhibition of MAMC O-dealkylation mediated by human Cytochrome P450 2D6 expressed in human lymphoblastoid cell lineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50030612(CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...)
Affinity DataKi:  3.30nMAssay Description:Inhibitory constant for cytochrome P450 2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50030612(CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...)
Affinity DataKi:  3.5nMAssay Description:Inhibition of 1'-hydroxybufuralol formation by human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50297370(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)
Affinity DataIC50: 4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50030612(CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...)
Affinity DataKi:  4.60nMAssay Description:Apparent inhibitory constant (Ki) for Bufuralol 1'-hydroxylation by human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50030612(CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of 1'-hydroxybufuralol formation by human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50047020(Prodipine | 1-Isopropyl-4,4-diphenyl-piperidine (p...)
Affinity DataKi:  4.80nMAssay Description:Inhibitory constant for cytochrome P450 2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM247367(US9447092, Comparator 1, Example 56)
Affinity DataIC50: 5.5nMAssay Description:Inhibition of CYP isozymes was determined using a mixture of probe substrates. The samples were incubated for 10 minutes followed by protein precipit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2017
Entry Details
US Patent

TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50030612(CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...)
Affinity DataKi:  5.70nMAssay Description:Inhibition of partially purified cytochrome P450 2D6 1'-hydroxybufuralol formationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 6nMAssay Description:Inhibition of CYP2D6 in human liver microsomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 6.90nMAssay Description:Inhibition of human recombinant CYP2D6 using luciferin as substrate preincubated for 10 mins followed by substrate addition and measured after 50 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 7.30nMAssay Description:Inhibition of CYP2D6 (unknown origin) expressed in insect cell microsomes using dibenzylfluorescein substrate by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50413014(CHEMBL497171)
Affinity DataIC50: 7.94nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50334783(trans-(1S,2S)-1-(3,4-dichlorophenyl)-N-methyl-1,2,...)
Affinity DataIC50: 8nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2011
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 8.10nMAssay Description:Inhibition of human recombinant CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50013515(yohimbic acid methyl ester | 17alpha-hydroxyyohimb...)
Affinity DataIC50: 8.40nMAssay Description:Inhibitory concentration against cytochrome P450 2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM190405(US9180183, Quinidine)
Affinity DataIC50: 9nMT: 2°CAssay Description:The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2016
Entry Details
US Patent

TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 9nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM190405(US9180183, Quinidine)
Affinity DataIC50: 9nMAssay Description:The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2016
Entry Details
US Patent

TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM155255(US9006242, 105 | US10098888, Compound 105 | US1164...)
Affinity DataIC50: 9.67nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2019
Entry Details
US Patent

TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataKi:  9.80nMAssay Description:Inhibition of human CYP2D6 by Lineweaver-Burke plotMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50314262((-)-(R)-N-methyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo...)
Affinity DataIC50: 9.80nMAssay Description:Inhibition of recombinant CYP2D6 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 10nMAssay Description:Inhibition of human CYP2D6 by fluorescence methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50210012((3R,4R)-methyl 3-(((S)-3-(4-fluorobenzyl)piperidin...)
Affinity DataIC50: 10nMAssay Description:Inhibition of human recombinant CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM143355(US9682953, 20.A-1)
Affinity DataIC50: 10nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 5 mins followed by NADPH cofactor addition and me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50026727(CHEMBL3331469)
Affinity DataIC50: 10nMAssay Description:Inhibition of human recombinant CYP2D6 incubated for 5 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 10nMAssay Description:Inhibition of CYP2D6 (unknown origin) after 2 hrs by firefly luciferase-luminescence based P450-glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 10nMAssay Description:Inhibition of human CYP2D6 in presence of NADPH by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 10nMAssay Description:Inhibition of human CYP2D6 in presence of NADPH by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM493605(US10988445, Example 201)
Affinity DataIC50: 10nMAssay Description:Inhibition of CYP2D6 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 10nMAssay Description:Inhibitory concentration against cytochrome P450 2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50367247(Quinamm | Quinsan | QUININE | cid_3034034)
Affinity DataIC50: 10nMAssay Description:Inhibition of human CYP2D6 preincubated for 5 mins followed by NADPH addition and measured after 45 mins by luminescence based microplate reader anal...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 10nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50297377(3-[3-tert-Butylsulfanyl-1-[4-(6-methylpyridin-3-yl...)
Affinity DataIC50: 10nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50297384(3-(3-(tert-butylthio)-1-(4-(5-methoxypyridin-2-yl)...)
Affinity DataIC50: 10nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 10nMAssay Description:Inhibition of human CYP2D6 by fluorescence methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50089334(CHEMBL3577939)
Affinity DataIC50: 10nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/8/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 10nMAssay Description:Inhibition of CYP2D6 after 30 mins by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50297371(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)
Affinity DataIC50: 10nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50029559(L-686708 | MK-591 | 3-[3-tert-Butylsulfanyl-1-(4-c...)
Affinity DataIC50: 11nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
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