BDBM16596 4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide::CHEMBL514794::MMP Inhibitor, 4::N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide::Pyrimidine Dicarboxamide Inhibitor, 4

SMILES Cc1cc(ccc1F)CNC(=O)c2cc(ncn2)C(=O)NCc3ccc(c(c3)C)F

InChI Key InChIKey=PYFRREJCFXFNRR-UHFFFAOYSA-N

Data  18 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 16596   

TargetCytochrome P450 2C19(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM16596(N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-di...)
Affinity DataIC50: 2.00E+4nMAssay 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
TargetCollagenase 3(Human)
Bolderbiopath

Curated by ChEMBL
LigandPNGBDBM16596(N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-di...)
Affinity DataIC50: 8nMAssay Description:Inhibition of MMP13 (unknown origin) using APMA as substrate preincubated for 15 mins followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCollagenase 3(Human)
Bolderbiopath

Curated by ChEMBL
LigandPNGBDBM16596(N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-di...)
Affinity DataIC50: 8nMAssay Description:Inhibition of human recombinant MMP13 expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCollagenase 3(Human)
Bolderbiopath

Curated by ChEMBL
LigandPNGBDBM16596(N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-di...)
Affinity DataIC50: 0.670nMAssay Description:Inhibition of MMP13 (unknown origin) using acetyl-Pro-Leu-Gly-[2-mercapto-4-methylpentanoyl]-Leu-Gly-O-ethyl ester as substrate by microplate reader ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCollagenase 3(Human)
Bolderbiopath

Curated by ChEMBL
LigandPNGBDBM16596(N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-di...)
Affinity DataIC50: 8nMAssay Description:Inhibition of MMP13 (unknown origin) using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 15 mins followed by substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCollagenase 3(Human)
Bolderbiopath

Curated by ChEMBL
LigandPNGBDBM16596(N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-di...)
Affinity DataIC50: 8nMAssay Description:Inhibition of human MMP13More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM16596(N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-di...)
Affinity DataIC50: 2.00E+4nMAssay 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
TargetCytochrome P450 3A4(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM16596(N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-di...)
Affinity DataIC50: 2.00E+4nMAssay 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 2D6(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM16596(N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-di...)
Affinity DataIC50: 2.00E+4nMAssay 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
TargetCollagenase 3(Human)
Bolderbiopath

Curated by ChEMBL
LigandPNGBDBM16596(N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-di...)
Affinity DataIC50: 8nMpH: 7.5 T: 2°CAssay Description:MMP-13 was assayed its proteolytic activity using a quenched fluorogenic substrate. The substrate hydrolysis was monitored by recording the increase ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/17/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2C9(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM16596(N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-di...)
Affinity DataIC50: 2.00E+4nMAssay 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 2C8(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM16596(N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-di...)
Affinity DataIC50: 2.00E+4nMAssay 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
TargetCytochrome P450 2B6(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM16596(N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-di...)
Affinity DataIC50: 2.00E+4nMAssay 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
TargetCytochrome P450 1A2(Human)
Translational Research Institute

Curated by ChEMBL
LigandPNGBDBM16596(N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-di...)
Affinity DataIC50: 2.00E+4nMAssay 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
TargetCollagenase 3(Human)
Bolderbiopath

Curated by ChEMBL
LigandPNGBDBM16596(N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-di...)
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 Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCollagenase 3(Human)
Bolderbiopath

Curated by ChEMBL
LigandPNGBDBM16596(N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-di...)
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 Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCollagenase 3(Human)
Bolderbiopath

Curated by ChEMBL
LigandPNGBDBM16596(N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-di...)
Affinity DataIC50: 8nMAssay 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)
TargetCollagenase 3(Human)
Bolderbiopath

Curated by ChEMBL
LigandPNGBDBM16596(N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-di...)
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)