null

SMILES COc1ccc(cc1)S(=O)(=O)c1cnc2ccc(OC)cc2c1N1CCC2(CC1)OCCO2

InChI Key InChIKey=SVSDOXXJTMWZIZ-UHFFFAOYSA-N

  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 3 hits for monomerid = 50456220   

TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center for Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456220(CHEMBL1341327)copy SMILEScopy InChI
Affinity DataIC50: 17nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SB48BHPubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center for Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456220(CHEMBL1341327)copy SMILEScopy InChI
Affinity DataIC50: 3.43E+3nMAssay Description:Inhibition of ALDH1A1 in human MIAPaCa2 cells after 30 mins by aldefluor assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SB48BHPubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center for Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456220(CHEMBL1341327)copy SMILEScopy InChI
Affinity DataIC50: 50nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SB48BHPubMed