Compile Data Set for Download or QSAR
maximum 50k data
Found 491 of ki for Cytochrome P450
having polymerids = 2127,2128,356,5290 and
complexids = 50001494
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM50351401(CHEMBL1819091)
Affinity DataKi:  0.0220nMAssay Description:Inhibition of CYP3A4 in human liver microsomes pre-incubated for 15 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM50351399(CHEMBL1819089)
Affinity DataKi:  0.0260nMAssay Description:Inhibition of CYP3A4 in human liver microsomes pre-incubated for 15 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataKi:  3.30nMAssay Description:Inhibitory constant for cytochrome P450 2D6More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataKi:  3.5nMAssay Description:Inhibition of 1'-hydroxybufuralol formation by human liver microsomesMore data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM50251022(3-(4-hydroxy-3,5-diiodobenzoyl)-2-propyl-4H-chrome...)
Affinity DataKi:  4.20nMAssay Description:Binding affinity to CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataKi:  4.60nMAssay Description:Apparent inhibitory constant (Ki) for Bufuralol 1'-hydroxylation by human liver microsomesMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of 1'-hydroxybufuralol formation by human liver microsomesMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50047020(1-Isopropyl-4,4-diphenyl-piperidine (prodipine) | ...)
Affinity DataKi:  4.80nMAssay Description:Inhibitory constant for cytochrome P450 2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataKi:  5.70nMAssay Description:Inhibition of partially purified cytochrome P450 2D6 1'-hydroxybufuralol formationMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM8610(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Affinity DataKi:  7nMAssay Description:Inhibition of CYP3A4 activity in human liver microsomes using midazolam as a substrate by LC/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM50273790(6-Bromo-N-(naphthalen-2-yl)-2-(pyridin-4-yl)quinol...)
Affinity DataKi:  9nMAssay Description:Inhibition of reconstituted CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

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-Burk plotMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM8610(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Affinity DataKi:  11nMAssay Description:Inhibition of CYP3A4 activity in human liver microsomes using nifedipine as a substrate by LC/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM50273447(6,8-Dimethyl-N-(naphthalen-2-yl)-2-(pyridin-4-yl)q...)
Affinity DataKi:  11nMAssay Description:Inhibition of reconstituted CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM50273788(6-Chloro-N-(naphthalen-2-yl)-2-(pyridin-4-yl)quino...)
Affinity DataKi:  12nMAssay Description:Inhibition of reconstituted CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataKi:  13nMAssay Description:Inhibition of 1'-hydroxybufuralol formation by human liver microsomesMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataKi:  14nMAssay Description:Inhibition of 1'-hydroxybufuralol formation by human liver microsomesMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50407151(CHEMBL2079609)
Affinity DataKi:  17nMAssay Description:Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM50267297(CHEMBL507731 | Methyl (S)-1-((2S,4S,5S)-5-((S)-2-(...)
Affinity DataKi:  18nMAssay Description:Inhibition of CYP3A4 (unknown origin) assessed as midazolam 1'- hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM50158460((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Affinity DataKi:  19nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM50158460((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Affinity DataKi:  19nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM50158460((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Affinity DataKi:  19nMAssay Description:Binding affinity to CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50262395(CHEMBL478620 | R/S-(2S,3S)-N-((6-methoxy-3-(triflu...)
Affinity DataKi:  20nMAssay Description:Binding affinity to human CYP2D6 using bufuralol as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50067935((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...)
Affinity DataKi:  20nMAssay Description:Binding affinity to human CYP2D6 using bufuralol as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM50251021(2-ethyl-3-(4-hydroxy-3,5-diiodobenzoyl)-4H-chromen...)
Affinity DataKi:  23nMAssay Description:Binding affinity to CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataKi:  28nMAssay Description:Binding affinity for progesterone 6-beta-hydroxylase of hepatic microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50255702(CHEMBL520612 | N-(4'-Methyl phenyl)-6,8-dimethoxy-...)
Affinity DataKi:  28.1nMAssay Description:Inhibition of human CYP2D6 by Lineweaver-Burk plotMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM50300539(CHEMBL573430 | N-((2R,3R)-2-(benzo[d][1,3]dioxol-5...)
Affinity DataKi:  30nMAssay Description:Inhibition of human recombinant CYP3A4 assessed as biotransformation of 7-benzyloxyquinoline to 7-hydroxyquinoline measured every 15 mins by fluoresc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataKi:  30nMAssay Description:Binding affinity for cytochrome P450 2D6More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM50314498(CHEMBL1089299 | N-((2S,3S)-2-(benzo[d][1,3]dioxol-...)
Affinity DataKi:  30nMAssay Description:Inhibition of human recombinant CYP3A4 assessed as biotransformation of 7-hydroxyquinoline to 7-benzyloxyquinoline measured every minute for 15 mins ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50407152(CHEMBL2079555)
Affinity DataKi:  31nMAssay Description:Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM50273785(CHEMBL456181 | N-(Naphthalen-2-yl)-2-(pyridin-4-yl...)
Affinity DataKi:  33nMAssay Description:Inhibition of reconstituted CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM50044425(4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Affinity DataKi:  33nMAssay Description:Binding affinity for progesterone 6-beta-hydroxylase of hepatic microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM50158458((2-ethylbenzofuran-3-yl)(4-hydroxy-3,5-dimethylphe...)
Affinity DataKi:  40nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataKi:  40nMAssay Description:Inhibition of 1'-hydroxybufuralol formation by human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM50251020(3-(4-hydroxy-3,5-diiodobenzoyl)-2-methyl-4H-chrome...)
Affinity DataKi:  41nMAssay Description:Binding affinity to CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataKi:  43nMAssay Description:Inhibition of partially purified cytochrome P450 2D6 1'-hydroxybufuralol formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataKi:  43nMAssay Description:Inhibition of partially purified cytochrome P450 2D6 1'-hydroxybufuralol formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM50251136(3-(3,5-diiodo-4-methoxybenzoyl)-2-propyl-4H-chrome...)
Affinity DataKi:  44.3nMAssay Description:Binding affinity to CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM8610(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Affinity DataKi:  49nMAssay Description:Inhibition of CYP3A4 activity in human liver microsomes using testosterone as a substrate by LC/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM50259874((-)-dihydroclusin | CHEMBL469916)
Affinity DataKi:  54nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by (14C)formaldehyde production from (N-methyl-14C)-erythromycinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50255812(CHEMBL481022 | N-(4'-i-Propylphenyl)-6,8-dimethoxy...)
Affinity DataKi:  54.7nMAssay Description:Inhibition of human CYP2D6 by Lineweaver-Burk plotMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM50267295(CHEMBL470508 | Methyl (S)-1-((2R,4S,5S)-4-Hydroxy-...)
Affinity DataKi:  66nMAssay Description:Inhibition of CYP3A4 (unknown origin) assessed as midazolam 1'- hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50407157(DIHYDROQUINIDINE | GNF-Pf-5606)
Affinity DataKi:  66nMAssay Description:Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM50314501(((4S,5S)-5-((1S,2S)-3-benzamido-2-(benzo[d][1,3]di...)
Affinity DataKi:  70nMAssay Description:Inhibition of human recombinant CYP3A4 assessed as biotransformation of 7-hydroxyquinoline to 7-benzyloxyquinoline measured every minute for 15 mins ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM50300543(((4S,5S)-5-((1R,2R)-3-benzamido-2-(benzo[d][1,3]di...)
Affinity DataKi:  70nMAssay Description:Inhibition of human recombinant CYP3A4 assessed as biotransformation of 7-benzyloxyquinoline to 7-hydroxyquinoline measured every 15 mins by fluoresc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50262280(CHEMBL513351 | R/S-(2S,3S)-N-(2-methoxy-5-(1,1,1-t...)
Affinity DataKi:  70nMAssay Description:Binding affinity to human CYP2D6 using bufuralol as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50377937(PROTOPINE)
Affinity DataKi:  78nMAssay Description:Competitive inhibition of CYP2D6 (unknown origin) using dextromethorphan substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataKi:  80nMAssay Description:Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKi:  80nMAssay Description:Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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