BDBM50456248 CHEMBL4212457

SMILES CCC(C)C1N=C2N(C1=O)C(SC(CC)C(=O)Nc1ccccc1C)=Nc1ccccc21

InChI Key InChIKey=HTFJGDBBWXQQCN-UHFFFAOYSA-N

Data  4 IC50  3 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 7 hits for monomerid = 50456248   

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

Curated by ChEMBL
LigandPNGBDBM50456248(CHEMBL4212457)
Affinity DataEC50:  2.22E+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 DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456248(CHEMBL4212457)
Affinity DataIC50:  1.01E+3nMAssay Description:Inhibition of ALDH1A1 in human MIAPaCa2 cells after 30 mins by aldefluor assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456248(CHEMBL4212457)
Affinity DataIC50:  119nMAssay 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 ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456248(CHEMBL4212457)
Affinity DataIC50:  390nMAssay Description:Inhibition of ALDH1A1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456248(CHEMBL4212457)
Affinity DataEC50: >5.00E+3nMAssay Description:Stabilization of ALDH1A1 in human OV90 cells assessed as increase in melting temperature after 1 hr by CETSAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456248(CHEMBL4212457)
Affinity DataEC50: >5.00E+4nMAssay Description:Stabilization of ALDH1A1 in human OV90 cells assessed as increase in melting temperature at 70 degC after 1 hr by CETSAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456248(CHEMBL4212457)
Affinity DataIC50:  390nMAssay Description:Inhibition of full length recombinant human ALDH1A1 expressed in Escherichia coli BL21 cells using acetyladehyde as substrate preincubated for 5 mins...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed