BDBM50527781 CHEMBL4456676

SMILES c1c(nc2ccc(cn12)-c1ccccc1)-c1ccccc1

InChI Key InChIKey=LETMYYZWCFHZLY-UHFFFAOYSA-N

Data  1 KI  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50527781   

TargetAldehyde dehydrogenase family 1 member A3(Human)
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50527781(CHEMBL4456676)
Affinity DataKi:  540nMAssay Description:Competitive inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using varying level of acetaldehyde as substr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAldehyde dehydrogenase family 1 member A3(Human)
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50527781(CHEMBL4456676)
Affinity DataIC50:  4.70E+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
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAldehyde dehydrogenase family 1 member A3(Human)
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50527781(CHEMBL4456676)
Affinity DataIC50:  4.70E+3nMAssay Description:Inhibition of human recombinant ALDH1A3 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative to controlMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetRetinal dehydrogenase 2(Human)
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50527781(CHEMBL4456676)
Affinity DataIC50:  5.46E+4nMAssay Description:Inhibition of recombinant human 6His-tagged ALDH1A2 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

TargetAldehyde dehydrogenase 1A1(Human)
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50527781(CHEMBL4456676)
Affinity DataIC50:  1.96E+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 sidPDB
In DepthDetails ArticlePubMed