BDBM50066659 1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-HEXAHYDRO-PYRIMIDINE-2-CARBOXYLIC ACID HYDROXYAMIDE::CHEMBL115727::MMP inhibitor II

SMILES CC1(C[N@](C([N@](C1)S(=O)(=O)c2ccc(cc2)OC)C(=O)NO)S(=O)(=O)c3ccc(cc3)OC)C

InChI Key InChIKey=MCSWSPNUKWMZHM-UHFFFAOYSA-N

Data  4 KI  11 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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50066659   

TargetInterstitial collagenase [100-268](Human)
East China University of Science and Technology

LigandPNGBDBM50066659(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)
Affinity DataIC50: 13nMpH: 7.5Assay Description:The activity of cd-MMP-1 was measured using a fluorescence-based assay. It was performed in white 96-well half area microplate (Greiner) in a final v...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2017
Entry Details Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Procter and Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50066659(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of Matrix metalloprotease-9More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2012
Entry Details Article
PubMed
TargetStromelysin-1(Human)
Procter and Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50066659(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)
Affinity DataIC50: 18nMAssay Description:Inhibition of Matrix metalloprotease-3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMatrilysin(Human)
Procter and Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50066659(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)
Affinity DataIC50: 30nMAssay Description:Inhibition of Matrix metalloprotease-7More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2012
Entry Details Article
PubMed
TargetInterstitial collagenase(Human)
Procter and Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50066659(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)
Affinity DataIC50: 24nMAssay Description:Inhibition of Matrix metalloprotease-1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2012
Entry Details Article
PubMed
TargetStromelysin-1(Human)
Procter and Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50066659(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)
Affinity DataIC50: 28.6nMAssay Description:Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMatrix metalloproteinase-9(Human)
Procter and Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50066659(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetMatrilysin(Human)
Procter and Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50066659(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)
Affinity DataIC50: 30nMAssay Description:Inhibition of MMP7 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2019
Entry Details Article
PubMed
TargetInterstitial collagenase(Human)
Procter and Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50066659(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)
Affinity DataIC50: 24nMAssay Description:Inhibition of human interstitial recombinant N-terminal MMP1 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2019
Entry Details Article
PubMed
TargetStromelysin-1(Human)
Procter and Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50066659(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)
Affinity DataIC50: 18nMAssay Description:Inhibition of truncated human recombinant MMP3 catalytic domain expressed in Escherichia coli BL21(DE3) after 3 hrs in presence of [H]-transferrinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMatrix metalloproteinase-9(Human)
Procter and Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50066659(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of MMP9 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2019
Entry Details Article
PubMed
TargetStromelysin-1(Human)
Procter and Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50066659(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)
Affinity DataKi:  18nMAssay Description:Inhibition of matrix metalloprotease-3 (MMP-3).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetInterstitial collagenase(Human)
Procter and Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50066659(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)
Affinity DataKi:  24nMAssay Description:Inhibition of matrix metalloprotease-1 (MMP-1).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetMatrilysin(Human)
Procter and Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50066659(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)
Affinity DataKi:  30nMAssay Description:Inhibition of matrix metalloprotease-7 (MMP-7).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Procter and Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50066659(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)
Affinity DataKi:  30nMAssay Description:Inhibition of matrix metalloprotease-9 (MMP-9).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed