BDBM50538685 CHEMBL4644541

SMILES Clc1ccc(cc1)-c1cccn2cc(nc12)-c1ccccc1

InChI Key InChIKey=PWFFYDSSTMPMCL-UHFFFAOYSA-N

Data  3 KI  3 IC50

  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 2 hits for monomerid = 50538685   

TargetAldehyde dehydrogenase 1A1(Human)
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50538685(CHEMBL4644541)
Affinity DataIC50: 1.68E+5nMAssay Description:Inhibition of human recombinant ALDH1A1 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative to controlMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetAldehyde dehydrogenase 1A1(Human)
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50538685(CHEMBL4644541)
Affinity DataKi:  1.68E+5nMAssay Description:Competitive inhibition of human recombinant ALDH1A1 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed