BDBM50509746 CHEMBL4538670

SMILES CC(C)=CCc1cc(/C=C/C(=O)O)cc(C(=O)NCCc2ccc(F)cc2)c1

InChI Key InChIKey=RUSIPQFVIYRWGV-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50509746   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50509746BDBM50509746(CHEMBL4538670)
Affinity DataIC50: 100nMAssay 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 C4(Human)
Texas Tech University Health Sciences Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50509746BDBM50509746(CHEMBL4538670)
Affinity DataIC50: 1.40E+5nMAssay Description:Inhibition of recombinant human AKR1C4 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 50509746BDBM50509746(CHEMBL4538670)
Affinity DataIC50: 1.48E+5nMAssay 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