BDBM50396691 CHEMBL449572::US9271961, Jasmonic acid

SMILES CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O

InChI Key InChIKey=ZNJFBWYDHIGLCU-UHFFFAOYSA-N

Data  8 KI

PDB links: 13 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50396691   

TargetAldo-keto reductase family 1 member C2(Human)
University of Pennsylvania

US Patent
LigandPNGBDBM50396691(CHEMBL449572 | US9271961, Jasmonic acid)
Affinity DataKi:  1.50E+4nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2017
Entry Details
US Patent

TargetAldo-keto reductase family 1 member C2(Human)
University of Pennsylvania

US Patent
LigandPNGBDBM50396691(CHEMBL449572 | US9271961, Jasmonic acid)
Affinity DataKi:  1.80E+4nMAssay Description:Inhibition of human recombinant AKR1C2 expressed in Escherichia coli BL21(DE3) using phenanthrenequinone as substrate by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C3(Human)
University of Pennsylvania

US Patent
LigandPNGBDBM50396691(CHEMBL449572 | US9271961, Jasmonic acid)
Affinity DataKi:  2.10E+4nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2017
Entry Details
US Patent

TargetAldo-keto reductase family 1 member C3(Human)
University of Pennsylvania

US Patent
LigandPNGBDBM50396691(CHEMBL449572 | US9271961, Jasmonic acid)
Affinity DataKi:  2.40E+4nMAssay Description:Inhibition of recombinant full-length human N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) using phenanthrenequinone as subst...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C4(Human)
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50396691(CHEMBL449572 | US9271961, Jasmonic acid)
Affinity DataKi:  3.70E+4nMAssay Description:Inhibition of human recombinant AKR1C4 expressed in Escherichia coli BL21(DE3) using phenanthrenequinone as substrate by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C1(Human)
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50396691(CHEMBL449572 | US9271961, Jasmonic acid)
Affinity DataKi:  1.06E+5nMAssay Description:Inhibition of human recombinant AKR1C1 expressed in Escherichia coli BL21(DE3) using phenanthrenequinone as substrate by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C1(Human)
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50396691(CHEMBL449572 | US9271961, Jasmonic acid)
Affinity DataKi:  1.06E+5nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2017
Entry Details
US Patent

TargetAldo-keto reductase family 1 member C3(Human)
University of Pennsylvania

US Patent
LigandPNGBDBM50396691(CHEMBL449572 | US9271961, Jasmonic acid)
Affinity DataKi:  1.62E+5nMAssay Description:Inhibition of human recombinant AKR1C3 expressed in Escherichia coli BL21(DE3) using phenanthrenequinone as substrate by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed