BDBM50527782 CHEMBL4441577

SMILES COc1ccc(cc1)-c1cn2cc(ccc2n1)-c1cc(OC)cc(OC)c1

InChI Key InChIKey=IHJONSSVOHRQHD-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50527782   

TargetAldehyde dehydrogenase family 1 member A3(Homo sapiens (Human))
University Of Pisa

Curated by ChEMBL
LigandPNGBDBM50527782(CHEMBL4441577)
Affinity DataIC50:  3.50E+3nMAssay 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 sidPDB
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
University Of Pisa

Curated by ChEMBL
LigandPNGBDBM50527782(CHEMBL4441577)
Affinity DataIC50:  1.98E+5nMAssay 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 sidPDB
In DepthDetails ArticlePubMed