BDBM40467 2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one::2-[(4-chlorobenzyl)thio]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one::2-[(4-chlorophenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one::2-[(4-chlorophenyl)methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one::CHEMBL473326::MLS000062185::SMR000070991::cid_2047223

SMILES Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1

InChI Key InChIKey=HKDAECHYHSQLRG-UHFFFAOYSA-N

Data  1 KI  8 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 40467   

TargetCollagenase 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40467(MLS000062185 | 2-[(4-chlorobenzyl)thio]-3,5,6,7-te...)
Affinity DataIC50: 3.36E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetCollagenase 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40467(MLS000062185 | 2-[(4-chlorobenzyl)thio]-3,5,6,7-te...)
Affinity DataIC50: 920nMAssay Description:Inhibition of human recombinant MMP13 by fluorogenic substrate assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetMatrix metalloproteinase-9(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM40467(MLS000062185 | 2-[(4-chlorobenzyl)thio]-3,5,6,7-te...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant MMP9 by fluorogenic substrate assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetNeutrophil collagenase(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM40467(MLS000062185 | 2-[(4-chlorobenzyl)thio]-3,5,6,7-te...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant MMP8 by fluorogenic substrate assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCollagenase 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40467(MLS000062185 | 2-[(4-chlorobenzyl)thio]-3,5,6,7-te...)
Affinity DataIC50: 920nMAssay Description:Inhibition of human recombinant MMP13 by fluorogenic substrate assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetInterstitial collagenase(Human)
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM40467(MLS000062185 | 2-[(4-chlorobenzyl)thio]-3,5,6,7-te...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of MMP1 expressed in Escherichia coli using triple-helical fTHP-15 as substrate after 4 hrs by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
TargetNeutrophil collagenase(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM40467(MLS000062185 | 2-[(4-chlorobenzyl)thio]-3,5,6,7-te...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of MMP8 expressed in CHO-K1 cells using triple-helical fTHP-15 as substrate after 4 hrs by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
TargetCollagenase 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40467(MLS000062185 | 2-[(4-chlorobenzyl)thio]-3,5,6,7-te...)
Affinity DataIC50: 1.03E+4nMAssay 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
PubMed
TargetCollagenase 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40467(MLS000062185 | 2-[(4-chlorobenzyl)thio]-3,5,6,7-te...)
Affinity DataKi:  3.80E+3nMAssay Description:Noncompetitive inhibition of human full length recombinant MMP13 using triple-helical fTHP-15 as substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed