BDBM50456226 CHEMBL4215649

SMILES CC(C)CCn1c(CN2CCN(CC2)C(=O)C2CC2)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key InChIKey=FSXIBBYWVGWQJL-UHFFFAOYSA-N

Data  3 IC50  1 EC50

  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 4 hits for monomerid = 50456226   

TargetAldehyde dehydrogenase 1A1(Human)
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456226(CHEMBL4215649)
Affinity DataEC50:  7.79E+3nMAssay Description:Inhibition of ALDH1A1 in human SKOV3TR cells assessed as potentiation of 100 nM paclitaxel-mediated cytotoxicity after 4 days by CellTiter-Glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAldehyde dehydrogenase 1A1(Human)
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456226(CHEMBL4215649)
Affinity DataIC50: 6.79E+3nMAssay Description:Inhibition of ALDH1A1 in human MIAPaCa2 cells after 30 mins by aldefluor assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAldehyde dehydrogenase 1A1(Human)
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456226(CHEMBL4215649)
Affinity DataIC50: 41nMAssay 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 Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAldehyde dehydrogenase 1A1(Human)
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456226(CHEMBL4215649)
Affinity DataIC50: 900nMAssay Description:Inhibition of human ALDH1A1 using propionaldehyde as substrate preincubated with enzyme for 15 mins followed by substrate addition in presence of NAD...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed