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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50427619   

TargetAldo-keto reductase family 1 member C3(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 Depth
Date in BDB:
6/5/2017
Entry Details
Go to US Patent

TargetAldo-keto reductase family 1 member C1(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 Depth
Date in BDB:
6/5/2017
Entry Details
Go to US Patent

TargetAldo-keto reductase family 1 member C2(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 Depth
Date in BDB:
6/5/2017
Entry Details
Go to US Patent

TargetAldo-keto reductase family 1 member C4(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 Depth
Date in BDB:
6/5/2017
Entry Details
Go to US Patent

TargetAndrogen receptor(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 Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 1(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 Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C4(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 Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C1(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 Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C2(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 Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C3(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 Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed