BDBM50427625 CHEMBL178687::US9346803, Table 2, Compound 6: 3-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]propanoic acid

SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCC(O)=O)c2c1

InChI Key InChIKey=ZXFPVIQVVULPBC-UHFFFAOYSA-N

Data  9 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50427625   

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

US Patent
LigandPNGBDBM50427625(CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)
Affinity DataIC50:  0.220nMAssay 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
LigandPNGBDBM50427625(CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)
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
LigandPNGBDBM50427625(CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)
Affinity DataIC50:  57nMAssay 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
LigandPNGBDBM50427625(CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)
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 C3(Homo sapiens (Human))
Vanderbilt University

US Patent
LigandPNGBDBM50427625(CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)
Affinity DataIC50:  220nMAssay 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

US Patent
LigandPNGBDBM50427625(CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)
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
LigandPNGBDBM50427625(CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)
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
LigandPNGBDBM50427625(CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)
Affinity DataIC50:  5.65E+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
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50427625(CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)
Affinity DataIC50:  4.88E+4nMAssay Description:Inhibition of COX1 (unknown origin)-mediated oxidation of N,N,N,Ntetramethyl-1,4-phenylenediamine using arachidonic acid as substrate by colorimetric...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed