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

SMILES COc1ccc2n(cc(CC(O)=O)c2c1)C(=O)c1ccc(Cl)cc1

InChI Key InChIKey=DHEMTWWLRLOBKI-UHFFFAOYSA-N

Data  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 2 hits for monomerid = 50293598   

TargetAldo-keto reductase family 1 member C4(Homo sapiens (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 DepthDetails US Patent
TargetAldo-keto reductase family 1 member C4(Homo sapiens (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 DepthDetails ArticlePubMed