BDBM50660820 CHEMBL6160013

SMILES CCOc1ccc2c(c1)C=C(CO2)C(=O)NCc3cc(c(o3)C)C(=O)O

InChI Key InChIKey=MMBIMPICMSSTDW-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50660820   

TargetAldo-keto reductase family 1 member C3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50660820BDBM50660820(CHEMBL6160013)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of recombinant AKR1C3 (unknown origin) Escherichia coli BL21 (DE3) pLysS using S-tetralol assessed as inhibition of NADP+ dependent oxidat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C4(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50660820BDBM50660820(CHEMBL6160013)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant AKR1C4 (unknown origin) Escherichia coli BL21 (DE3) pLysS using S-tetralol assessed as inhibition of NADP+ dependent oxidat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAldo-keto reductase family 1 member C2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50660820BDBM50660820(CHEMBL6160013)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant AKR1C2 (unknown origin) Escherichia coli BL21 (DE3) pLysS using S-tetralol assessed as inhibition of NADP+ dependent oxidat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50660820BDBM50660820(CHEMBL6160013)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant AKR1C1 (unknown origin) Escherichia coli BL21 (DE3) pLysS using S-tetralol assessed as inhibition of NADP+ dependent oxidat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMedPDB3D3D Structure (crystal)