BDBM50427627 CHEMBL2323474::US9346803, Table 2, Compound 9: 2-{5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]-1H-indol-3-yl}acetic acid

SMILES COc1ccc2n(C(=O)c3ccc(cc3)C(F)(F)F)c(C)c(CC(O)=O)c2c1

InChI Key InChIKey=WSJYANUXYPFGPR-UHFFFAOYSA-N

Data  8 IC50

  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 8 hits for monomerid = 50427627   

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

US Patent
LigandPNGBDBM50427627(CHEMBL2323474 | US9346803, Table 2, Compound 9: 2-...)
Affinity DataIC50:  0.270nMAssay 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 C1(Homo sapiens (Human))
Vanderbilt University

US Patent
LigandPNGBDBM50427627(CHEMBL2323474 | US9346803, Table 2, Compound 9: 2-...)
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 DepthDetails US Patent
TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
Vanderbilt University

US Patent
LigandPNGBDBM50427627(CHEMBL2323474 | US9346803, Table 2, Compound 9: 2-...)
Affinity DataIC50:  35.7nMAssay 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 C3(Homo sapiens (Human))
Vanderbilt University

US Patent
LigandPNGBDBM50427627(CHEMBL2323474 | US9346803, Table 2, Compound 9: 2-...)
Affinity DataIC50:  270nMAssay 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 DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C4(Homo sapiens (Human))
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50427627(CHEMBL2323474 | US9346803, Table 2, Compound 9: 2-...)
Affinity DataIC50: >1.00E+5nMAssay 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
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
Vanderbilt University

US Patent
LigandPNGBDBM50427627(CHEMBL2323474 | US9346803, Table 2, Compound 9: 2-...)
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 DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
Vanderbilt University

US Patent
LigandPNGBDBM50427627(CHEMBL2323474 | US9346803, Table 2, Compound 9: 2-...)
Affinity DataIC50:  3.57E+4nMAssay 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 DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C4(Homo sapiens (Human))
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50427627(CHEMBL2323474 | US9346803, Table 2, Compound 9: 2-...)
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 DepthDetails US Patent