BDBM50612075 CHEMBL5288197

SMILES c1cc(c(cc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)[N+](=O)[O-])C#N

InChI Key InChIKey=VTRDVRBVJGKWET-UHFFFAOYSA-N

Data  1 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50612075   

TargetAldo-keto reductase family 1 member B1(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50612075(CHEMBL5288197)
Affinity DataKi:  107nMAssay Description:Inhibition of human ALR2 expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using D,L-glyceraldehyde as substrate in presence o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)