BDBM50509731 CHEMBL4457830

SMILES COc1ccccc1CCC(=O)Nc1cc(/C=C/C(=O)O)ccc1CC=C(C)C

InChI Key InChIKey=BJZKCAWDZWSWFC-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50509731   

TargetAldo-keto reductase family 1 member C3(Human)
Texas Tech University Health Sciences Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50509731BDBM50509731(CHEMBL4457830)
Affinity DataIC50: 81nMAssay Description:Inhibition of recombinant human AKR1C3 expressed in Escherichia coli BL21 (D3) using S-tetralol as substrate in presence of NADP+ by UV-spectrophotom...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 C2(Human)
Texas Tech University Health Sciences Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50509731BDBM50509731(CHEMBL4457830)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of recombinant human AKR1C2 expressed in Escherichia coli BL21 (D3) using S-tetralol as substrate in presence of NADP+ by UV-spectrophotom...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed