Compile Data Set for Download or QSAR
maximum 50k data
Found 204 of ki for UniProtKB: P08684
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

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 Co.

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 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

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 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

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 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

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 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

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 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

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 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

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 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

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 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

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 Co.

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 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

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 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

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 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

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 Co.

Curated by ChEMBL
LigandPNGBDBM50106864((1-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-imidazo...)
Affinity DataKi:  80nMAssay Description:Reversible inhibition of human CYP3A4 in liver microsomes by Dixon and Cornish-Bowden plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50259867((-)-clusin | CHEMBL479701)
Affinity DataKi:  82nMAssay 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 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50519563(Piperaquine)
Affinity DataKi:  90nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)
Affinity DataKi:  100nMAssay Description:Inhibition of CYP3A4-mediated N-demethylation in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM520(1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...)
Affinity DataKi:  100nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataKi:  120nMAssay Description:Inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A4 harboring human P450 oxidoreductase and b5 assessed as decrease in enzyme...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50418094(CHEMBL1743357)
Affinity DataKi:  130nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by nifedipine oxidation, omeprazole 3-hydroxylation and omeprazole sulfoxydationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50241937((-)-dihydrocubebin | CHEMBL486597 | dihydrocubebin)
Affinity DataKi:  142nMAssay 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 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50388532(CHEMBL2058833)
Affinity DataKi:  156nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM520(1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...)
Affinity DataKi:  170nMAssay Description:Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsomeMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50300538(CHEMBL574914 | N-((2R,3R)-2-(benzo[d][1,3]dioxol-5...)
Affinity DataKi:  170nMAssay 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 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataKi:  170nMAssay Description:Inhibition of testosterone 6beta-hydroxylase activity of human recombinant CYP3A4 in presence of human P450 oxidoreductase and b5 assessed as decreas...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM519((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)
Affinity DataKi:  170nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50241524((-)-deoxypodorhizone | (-)-yatein | CHEMBL471067)
Affinity DataKi:  177nMAssay 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 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM20607((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Affinity DataKi:  200nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50293601((1S,2S,3a1S,12bS)-2-(tert-butyldimethylsilyloxy)-2...)
Affinity DataKi:  210nMAssay Description:Inhibition of human CYP3A4 assessed as biotransformation of 7-benzyloxyquinolineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50418095(CHEMBL1743352)
Affinity DataKi:  240nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50314499(CHEMBL1089300 | tert-butyl(2S,3S)-2-(benzo[d][1,3]...)
Affinity DataKi:  240nMAssay 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 Co.

Curated by ChEMBL
LigandPNGBDBM50584760(CHEMBL2068968)
Affinity DataKi:  250nMAssay Description:Inactivation of recombinant human CYP3A4 assessed as inhibition constant using midazolam as substrate preincubated for 5 mins followed by beta-NADP a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50418096(CHEMBL1743364)
Affinity DataKi:  250nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Affinity DataKi:  260nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50293600((1S,2S,3a1S,12bS)-2-(tert-butyldimethylsilyloxy)-2...)
Affinity DataKi:  260nMAssay Description:Inhibition of human CYP3A4 assessed as biotransformation of 7-benzyloxyquinolineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50117922((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Affinity DataKi:  280nMAssay Description:Inhibition of recombinant CYP3A4 (unknown origin) expressed in baculosomes in presence of 1 mM NADPHMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataKi:  300nMAssay Description:Competitive inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50418093(CHEMBL1743356)
Affinity DataKi:  310nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by nifedipine oxidation, omeprazole 3-hydroxylation and omeprazole sulfoxydationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50300541(CHEMBL583953 | tert-butyl(2R,3R)-2-(benzo[d][1,3]d...)
Affinity DataKi:  320nMAssay 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 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Affinity DataKi:  370nMAssay Description:Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50218812((3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro...)
Affinity DataKi:  373nMAssay 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 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
Affinity DataKi:  375nMAssay Description:Inhibition of human recombinant CYP3A4 assessed as metabolism of 7-benzyloxy-4-trifluoromethylcoumarin to HFC after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50418091(CHEMBL404875)
Affinity DataKi:  399nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by N-demethylation of erythromycinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM578((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...)
Affinity DataKi:  410nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM578((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...)
Affinity DataKi:  410nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50061306((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)
Affinity DataKi:  480nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)
Affinity DataKi:  480nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)
Affinity DataKi:  500nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co.

Curated by ChEMBL
LigandPNGBDBM50393265(CHEMBL2152016)
Affinity DataKi:  540nMAssay Description:Inhibition of recombinant CYP3A4 NF-14 expressed in Escherichia coli assessed as formation of 6-beta-hydroxytestosterone using testosterone as substr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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