BDBM50265079 (4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,4-dihydro-2H-quinazolin-3-ylmethyl]-benzoic acid)::4-((1-methyl-2,4-dioxo-6-(3-phenylprop-1-ynyl)-1,2-dihydroquinazolin-3(4H)-yl)methyl)benzoic acid::4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID::CHEMBL496942::MMP Inhibitor, 5

SMILES CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4

InChI Key InChIKey=FLTYDFYSVZBKOB-UHFFFAOYSA-N

Data  34 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50265079   

TargetMatrilysin(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of MMP7More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin) using diclofenac substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin) using (S)-mephentoin substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin) using dextromethophan substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using midazolam substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using testosterone substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMed
TargetCollagenase 3(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
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 Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target72 kDa type IV collagenase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of MMP2More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetStromelysin-1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of MMP3 catalytic domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of CYP2C8 (unknown origin) using amodiaquine substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMed
TargetNeutrophil collagenase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of MMP8 catalytic domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetMacrophage metalloelastase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of MMP12 catalytic domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetMatrix metalloproteinase-17(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of MMP17 catalytic domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCollagenase 3(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 0.670nMAssay Description:Inhibition of human recombinant MMP13 catalytic domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetInterstitial collagenase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of MMP1More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCollagenase 3(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 0.670nMAssay Description:Inhibition of MMP13More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSolute carrier family 22 member 8(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of human OAT3 expressed in HEK cells assessed as reduction of [3H]-estrone sulfate uptake by radioactivity counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2017
Entry Details Article
PubMed
TargetCollagenase 3(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 0.670nMAssay Description:Inhibition of MMP13 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human ADAMTS4 assessed as cleavage of aggrecan substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human ADAMTS5 assessed as cleavage of aggrecan substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of MMP9More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetMatrix metalloproteinase-14(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of MMP14 catalytic domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetNeutrophil collagenase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of MMP8 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2016
Entry Details Article
PubMed
TargetStromelysin-1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of MMP3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2016
Entry Details Article
PubMed
Target72 kDa type IV collagenase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of MMP2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2016
Entry Details Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of MMP9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2016
Entry Details Article
PubMed
TargetCollagenase 3(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 0.670nMpH: 6.8 T: 2°CAssay Description:Enzyme assay using human matrix metalloproteases or ADAMTS.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMacrophage metalloelastase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of MMP12 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2016
Entry Details Article
PubMed
TargetMatrix metalloproteinase-14(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of MMP14 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2016
Entry Details Article
PubMed
TargetMatrix metalloproteinase-17(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of MMP17 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2016
Entry Details Article
PubMed
TargetInterstitial collagenase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of MMP1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2016
Entry Details Article
PubMed
TargetMatrilysin(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of MMP7 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of CYP1A2 (unknown origin) using tacrin substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM50265079(CHEMBL496942 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of CYP2B6 (unknown origin) using bupropion substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMed