BDBM50662321 CHEMBL6149901

SMILES COc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)n3cnc(C4CCCCC4)n3)cc2)CC1

InChI Key InChIKey=HMWIALSNZLCBBI-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50662321   

TargetAldo-keto reductase family 1 member C3(Human)
University of Texas at Austin

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662321BDBM50662321(CHEMBL6149901)
Affinity DataIC50: 27nMAssay Description:Inhibition of AKR1C3 (unknown origin) in human HEK293T cells assessed as turnover of coumberone to coumberol by live cell coumberone reduction assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAldo-keto reductase family 1 member C3(Human)
University of Texas at Austin

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662321BDBM50662321(CHEMBL6149901)
Affinity DataIC50: 27nMAssay Description:Inhibition of AKR1C3 in human COLO 205 cells by Cell based AKR activity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAldo-keto reductase family 1 member C4(Human)
University of Texas at Austin

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662321BDBM50662321(CHEMBL6149901)
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of AKR1C4 (unknown origin) in human HEK293T cells assessed as turnover of coumberone to coumberol by live cell coumberone reduction assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAldo-keto reductase family 1 member C2(Human)
University of Texas at Austin

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662321BDBM50662321(CHEMBL6149901)
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of AKR1C2 (unknown origin) in human HEK293T cells assessed as turnover of coumberone to coumberol by live cell coumberone reduction assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAldo-keto reductase family 1 member C1(Human)
University of Texas at Austin

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662321BDBM50662321(CHEMBL6149901)
Affinity DataIC50: 3.10E+4nMAssay Description:Inhibition of AKR1C1 (unknown origin) in human HEK293T cells assessed as turnover of coumberone to coumberol by live cell coumberone reduction assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed