BDBM50509738 CHEMBL4454121

SMILES CCCCCC(=O)Oc1ccc(/C=C/C(=O)O)cc1CC=C(C)C

InChI Key InChIKey=AIBCKVFRROJAOP-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 50509738   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50509738BDBM50509738(CHEMBL4454121)
Affinity DataIC50: 300nMAssay 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 50509738BDBM50509738(CHEMBL4454121)
Affinity DataIC50: 2.50E+4nMAssay 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