Compile Data Set for Download or QSAR
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Found 17 Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50033150
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340410((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)
Affinity DataIC50:  6.30E+3nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340412((1S,2S)-ethyl 2-((3-(((3R,4S)-N-cyclopropyl-4-(4-(...)
Affinity DataIC50:  1.93E+4nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340406((3R,4S)-N-(3-((1-(cyanomethyl)cyclopropyl)methoxy)...)
Affinity DataIC50:  1.96E+4nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340407((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)
Affinity DataIC50:  2.16E+4nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340408((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)
Affinity DataIC50:  2.27E+4nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340409((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)
Affinity DataIC50:  2.76E+4nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340418(4-(3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340419(1-(2-(3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichl...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340420((S)-4-(3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dich...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340421((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340417(5-(3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340416(4-(3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340415(3-(3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340422((3R,4S)-N-(3-((1-((2H-tetrazol-5-yl)methyl)cyclopr...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340413((1S,2S)-2-((3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340411((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340414(2-(1-((3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dich...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed