BDBM50427622 CHEMBL2323508::US9346803, Table 2, Compound 10: 3-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxy-1H-indol-2-yl]propanoic acid

SMILES CCc1c(CCC(O)=O)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12

InChI Key InChIKey=JBMSOEFHPCTJTH-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 4 hits for monomerid = 50427622   

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

US Patent
LigandPNGBDBM50427622(CHEMBL2323508 | US9346803, Table 2, Compound 10: 3...)
Affinity DataIC50:  0.0900nMAssay 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
LigandPNGBDBM50427622(CHEMBL2323508 | US9346803, Table 2, Compound 10: 3...)
Affinity DataIC50:  30.7nMAssay 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 C2(Homo sapiens (Human))
Vanderbilt University

US Patent
LigandPNGBDBM50427622(CHEMBL2323508 | US9346803, Table 2, Compound 10: 3...)
Affinity DataIC50:  49.6nMAssay 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
LigandPNGBDBM50427622(CHEMBL2323508 | US9346803, Table 2, Compound 10: 3...)
Affinity DataIC50:  1.95nMAssay 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