BDBM50293598 2'-des-methyl indomethacin::CHEMBL503179::US9346803, Des-methylIndomethacin

SMILES COc1ccc2c(c1)c(cn2C(=O)c3ccc(cc3)Cl)CC(=O)O

InChI Key InChIKey=DHEMTWWLRLOBKI-UHFFFAOYSA-N

Data  11 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50293598   

TargetAldo-keto reductase family 1 member C3(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50293598(2'-des-methyl indomethacin | CHEMBL503179 | US9346...)
Affinity DataIC50: 0.960nMAssay Description:Inhibitors were initially screened for an ability to block the NADP+ dependent oxidation of the artificial substrate S-tetralol catalyzed by AKR1C3. ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2017
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C1(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50293598(2'-des-methyl indomethacin | CHEMBL503179 | US9346...)
Affinity DataIC50: 100nMAssay Description:Inhibitors were initially screened for an ability to block the NADP+ dependent oxidation of the artificial substrate S-tetralol catalyzed by AKR1C3. ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2017
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C2(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50293598(2'-des-methyl indomethacin | CHEMBL503179 | US9346...)
Affinity DataIC50: 100nMAssay Description:Inhibitors were initially screened for an ability to block the NADP+ dependent oxidation of the artificial substrate S-tetralol catalyzed by AKR1C3. ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2017
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C4(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50293598(2'-des-methyl indomethacin | CHEMBL503179 | US9346...)
Affinity DataIC50: 48.7nMAssay Description:Inhibitors were initially screened for an ability to block the NADP+ dependent oxidation of the artificial substrate S-tetralol catalyzed by AKR1C3. ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2017
Entry Details
Go to US Patent

TargetProstaglandin G/H synthase 1(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50293598(2'-des-methyl indomethacin | CHEMBL503179 | US9346...)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of COX1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Mouse)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50293598(2'-des-methyl indomethacin | CHEMBL503179 | US9346...)
Affinity DataIC50: 3.27E+3nMAssay Description:Inhibition of wild type mouse COX2 by discontinuous radioactive TLC assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50293598(2'-des-methyl indomethacin | CHEMBL503179 | US9346...)
Affinity DataIC50: 1.53E+4nMAssay Description:Inhibition of ovine COX1 by discontinuous radioactive TLC assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C4(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50293598(2'-des-methyl indomethacin | CHEMBL503179 | US9346...)
Affinity DataIC50: 4.87E+4nMAssay Description:Inhibition of human recombinant AKR1C4-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphtholMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C1(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50293598(2'-des-methyl indomethacin | CHEMBL503179 | US9346...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant AKR1C1-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphtholMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C2(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50293598(2'-des-methyl indomethacin | CHEMBL503179 | US9346...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant AKR1C2-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphtholMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C3(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50293598(2'-des-methyl indomethacin | CHEMBL503179 | US9346...)
Affinity DataIC50: 960nMAssay Description:Inhibition of human recombinant AKR1C3-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphtholMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)