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.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

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 DataKi:  96nMAssay Description:Non-competitive tight inhibition of recombinant human ALDH1A1 using 1000 uM NAD+ as cofactor by Lineweaver-Burk plot analysis in presence of 100 to 8...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/25/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)