BDBM50538685 CHEMBL4644541

SMILES Clc1ccc(cc1)-c1cccn2cc(nc12)-c1ccccc1

InChI Key InChIKey=PWFFYDSSTMPMCL-UHFFFAOYSA-N

Data  3 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50538685   

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

Curated by ChEMBL
LigandPNGBDBM50538685(CHEMBL4644541)
Affinity DataKi:  8.70E+3nMAssay Description:Competitive inhibition of human recombinant ALDH1A3 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetRetinal dehydrogenase 2(Homo sapiens (Human))
University Of Pisa

Curated by ChEMBL
LigandPNGBDBM50538685(CHEMBL4644541)
Affinity DataKi:  2.76E+4nMAssay Description:Competitive inhibition of human recombinant ALDH1A2 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
University Of Pisa

Curated by ChEMBL
LigandPNGBDBM50538685(CHEMBL4644541)
Affinity DataKi:  1.68E+5nMAssay Description:Competitive inhibition of human recombinant ALDH1A1 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetRetinal dehydrogenase 2(Homo sapiens (Human))
University Of Pisa

Curated by ChEMBL
LigandPNGBDBM50538685(CHEMBL4644541)
Affinity DataIC50:  2.76E+4nMAssay Description:Inhibition of human recombinant ALDH1A2 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 ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
University Of Pisa

Curated by ChEMBL
LigandPNGBDBM50538685(CHEMBL4644541)
Affinity DataIC50:  1.68E+5nMAssay Description:Inhibition of human recombinant ALDH1A1 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 ArticlePubMed
TargetAldehyde dehydrogenase family 1 member A3(Homo sapiens (Human))
University Of Pisa

Curated by ChEMBL
LigandPNGBDBM50538685(CHEMBL4644541)
Affinity DataIC50:  5.50E+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