BDBM50459608 CHEBI:90441::CHEMBL3276621

SMILES C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl

InChI Key InChIKey=FAOMZVDZARKPFJ-UHFFFAOYSA-N

Data  3 KI  3 IC50  1 EC50

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 3 hits for monomerid = 50459608   

TargetRetinal dehydrogenase 2(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50459608(CHEMBL3276621 | CHEBI:90441)
Affinity DataKi:  56nMAssay Description:Inhibition of human ALDH1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldehyde dehydrogenase family 1 member A3(Human)
University of North Carolina at Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50459608(CHEMBL3276621 | CHEBI:90441)
Affinity DataKi:  261nMAssay Description:Inhibition of human ALDH1A3More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAldehyde dehydrogenase 1A1(Human)
University of North Carolina at Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50459608(CHEMBL3276621 | CHEBI:90441)
Affinity DataKi:  285nMAssay Description:Inhibition of human ALDH1A1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed