BDBM50527785 CHEMBL4519005

SMILES Clc1ccc(cc1)-c1ccc2nc(cn2c1)-c1ccccc1

InChI Key InChIKey=KSTAYRGPKSHZDI-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50527785   

TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
University Of Pisa

Curated by ChEMBL
LigandPNGBDBM50527785(CHEMBL4519005)
Affinity DataIC50:  6.88E+4nMAssay Description:Inhibition of recombinant human 6His-tagged ALDH1A1 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase family 1 member A3(Homo sapiens (Human))
University Of Pisa

Curated by ChEMBL
LigandPNGBDBM50527785(CHEMBL4519005)
Affinity DataIC50:  4.58E+4nMAssay Description:Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed