Compile Data Set for Download or QSAR
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Report error Found 49 Enz. Inhib. hit(s) with all data for entry = 50044813
TargetCollagenase 3(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)
Affinity DataIC50:  14nMAssay Description:Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetCollagenase 3(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM16596(4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...)
Affinity DataIC50:  70nMAssay Description:Inhibition of full-length recombinant human MMP-13 assessed as bovine type-2 collagen hydrolysis after 18 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetCollagenase 3(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM16596(4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...)
Affinity DataIC50:  110nMAssay Description:Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetCollagenase 3(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361639(CHEMBL1371684)
Affinity DataIC50:  400nMAssay Description:Inhibition of full-length recombinant human MMP-13 assessed as bovine type-2 collagen hydrolysis after 18 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCollagenase 3(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50031314(CHEMBL473326)
Affinity DataIC50:  700nMAssay Description:Inhibition of full-length recombinant human MMP-13 assessed as bovine type-2 collagen hydrolysis after 18 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCollagenase 3(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361640(CHEMBL1515648)
Affinity DataIC50:  2.30E+3nMAssay Description:Inhibition of full-length recombinant human MMP-13 assessed as bovine type-2 collagen hydrolysis after 18 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCollagenase 3(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361639(CHEMBL1371684)
Affinity DataIC50:  2.40E+3nMAssay Description:Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCytochrome P450 2D6(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)
Affinity DataIC50: >2.50E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin) using dextromethophan substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 1A2(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)
Affinity DataIC50: >2.50E+3nMAssay Description:Inhibition of CYP1A2 (unknown origin) using tacrin substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2B6(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)
Affinity DataIC50: >2.50E+3nMAssay Description:Inhibition of CYP2B6 (unknown origin) using bupropion substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C8(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)
Affinity DataIC50: >2.50E+3nMAssay Description:Inhibition of CYP2C8 (unknown origin) using amodiaquine substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C9(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)
Affinity DataIC50: >2.50E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin) using diclofenac substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C19(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)
Affinity DataIC50: >2.50E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin) using (S)-mephentoin substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)
Affinity DataIC50: >2.50E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using midazolam substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)
Affinity DataIC50: >2.50E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using testosterone substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCollagenase 3(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361640(CHEMBL1515648)
Affinity DataIC50:  2.80E+3nMAssay Description:Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCollagenase 3(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50031314(CHEMBL473326)
Affinity DataIC50:  3.40E+3nMAssay Description:Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 1A2(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361639(CHEMBL1371684)
Affinity DataIC50:  3.70E+3nMAssay Description:Inhibition of CYP1A2 (unknown origin) using tacrin substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C19(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50031314(CHEMBL473326)
Affinity DataIC50:  6.50E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin) using (S)-mephentoin substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C19(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361639(CHEMBL1371684)
Affinity DataIC50:  7.90E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin) using (S)-mephentoin substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 1A2(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50031314(CHEMBL473326)
Affinity DataIC50:  8.60E+3nMAssay Description:Inhibition of CYP1A2 (unknown origin) using tacrin substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C9(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361639(CHEMBL1371684)
Affinity DataIC50:  8.80E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin) using diclofenac substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C9(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50031314(CHEMBL473326)
Affinity DataIC50:  1.90E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin) using diclofenac substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM16596(4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using midazolam substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM16596(4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using testosterone substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2D6(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM16596(4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) using dextromethophan substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C19(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM16596(4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin) using (S)-mephentoin substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C9(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM16596(4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin) using diclofenac substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C8(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM16596(4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin) using amodiaquine substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2B6(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM16596(4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2B6 (unknown origin) using bupropion substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 1A2(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM16596(4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin) using tacrin substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361640(CHEMBL1515648)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using testosterone substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361640(CHEMBL1515648)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using midazolam substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2D6(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361640(CHEMBL1515648)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) using dextromethophan substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C19(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361640(CHEMBL1515648)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin) using (S)-mephentoin substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C9(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361640(CHEMBL1515648)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin) using diclofenac substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C8(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361640(CHEMBL1515648)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin) using amodiaquine substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2B6(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361640(CHEMBL1515648)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2B6 (unknown origin) using bupropion substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 1A2(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361640(CHEMBL1515648)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin) using tacrin substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50031314(CHEMBL473326)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using midazolam substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361639(CHEMBL1371684)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using testosterone substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361639(CHEMBL1371684)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using midazolam substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2D6(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361639(CHEMBL1371684)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) using dextromethophan substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C8(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361639(CHEMBL1371684)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin) using amodiaquine substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2B6(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50361639(CHEMBL1371684)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2B6 (unknown origin) using bupropion substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2D6(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50031314(CHEMBL473326)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) using dextromethophan substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2B6(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50031314(CHEMBL473326)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2B6 (unknown origin) using bupropion substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C8(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50031314(CHEMBL473326)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin) using amodiaquine substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50031314(CHEMBL473326)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using testosterone substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed