BDBM50427619 CHEMBL2323511::US9346803, 3

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

InChI Key InChIKey=PLYKGAOPLXCEPT-UHFFFAOYSA-N

Data  9 IC50  1 EC50

  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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50427619   

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

US Patent
LigandPNGBDBM50427619(CHEMBL2323511 | US9346803, 3)
Affinity DataIC50:  0.340nMAssay 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
LigandPNGBDBM50427619(CHEMBL2323511 | US9346803, 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
LigandPNGBDBM50427619(CHEMBL2323511 | US9346803, 3)
Affinity DataIC50:  93nMAssay 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
LigandPNGBDBM50427619(CHEMBL2323511 | US9346803, 3)
Affinity DataIC50:  12.6nMAssay 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 C3(Homo sapiens (Human))
Vanderbilt University

US Patent
LigandPNGBDBM50427619(CHEMBL2323511 | US9346803, 3)
Affinity DataIC50:  340nMAssay 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
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50427619(CHEMBL2323511 | US9346803, 3)
Affinity DataIC50: >1.00E+5nMAssay 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
TargetAldo-keto reductase family 1 member C4(Homo sapiens (Human))
Vanderbilt University

US Patent
LigandPNGBDBM50427619(CHEMBL2323511 | US9346803, 3)
Affinity DataIC50:  1.26E+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
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
Vanderbilt University

US Patent
LigandPNGBDBM50427619(CHEMBL2323511 | US9346803, 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
LigandPNGBDBM50427619(CHEMBL2323511 | US9346803, 3)
Affinity DataIC50:  9.30E+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
TargetAndrogen receptor(Homo sapiens (Human))
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50427619(CHEMBL2323511 | US9346803, 3)
Affinity DataEC50:  0.140nMAssay Description:Agonist activity at androgen receptor (unknown origin) expressed in HeLa cells co-expressing PSA-(ARE)4-Luc13 assessed as induction of DHT-induced lu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed