BDBM50076550 CHEMBL3416554

SMILES CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C(=O)N

InChI Key InChIKey=IOCDTSBNIYANHP-UHFFFAOYSA-N

Data  1 KI  1 IC50

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 = 50076550   

TargetAldehyde dehydrogenase 1A1(Human)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076550(CHEMBL3416554)
Affinity DataIC50: 210nMAssay Description:Inhibition of recombinant human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/25/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)