BDBM50448790 CHEMBL3128208

SMILES Cc1cc2C(=O)C(=O)Nc2c(Br)c1

InChI Key InChIKey=NPDJRIGMWAQKTQ-UHFFFAOYSA-N

Data  6 KI  3 IC50

PDB links: 2 PDB IDs match 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 3 hits for monomerid = 50448790   

TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50448790(CHEMBL3128208)
Affinity DataKi:  380nMAssay Description:Inhibition of human ALDH3A1 using benzaldehyde as substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50448790(CHEMBL3128208)
Affinity DataKi:  500nMAssay Description:Inhibition of human ALDH3A1 by Lineweaver-Burk plot analysis in presence of NADP+More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50448790(CHEMBL3128208)
Affinity DataIC50:  360nMAssay Description:Inhibition of full length human ALDH3A1 expressed in Escherichia coli BL21 (DE3) using benzaldehyde as substrate preincubated for 2 mins followed by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed