null

SMILES COC(=O)c1ccc(cc1)-c1cccn2cc(nc12)-c1ccccc1

InChI Key InChIKey=BWTFPMWBBQNGJF-UHFFFAOYSA-N

  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 4 hits for monomerid = 50538688   

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

Curated by ChEMBL
LigandPNGBDBM50538688(CHEMBL4642789)copy SMILEScopy InChI
Affinity DataKi:  120nMAssay 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 sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N301G7PubMed
TargetRetinal dehydrogenase 2(Homo sapiens (Human))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50538688(CHEMBL4642789)copy SMILEScopy InChI
Affinity DataKi:  920nMAssay 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 sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N301G7PubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50538688(CHEMBL4642789)copy SMILEScopy InChI
Affinity DataKi:  7.95E+4nMAssay 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 sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N301G7PubMed
TargetAldehyde dehydrogenase family 1 member A3(Homo sapiens (Human))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50538688(CHEMBL4642789)copy SMILEScopy InChI
Affinity DataIC50: 660nMAssay 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 sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N301G7PubMed