BDBM50076741 CHEMBL3416562

SMILES CCOC(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCCN1CCCC1

InChI Key InChIKey=SKDRHRAYBYQVNU-UHFFFAOYSA-N

Data  1 KI  6 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50076741   

TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076741(CHEMBL3416562)
Affinity DataKi:  230nMAssay Description:Competitive inhibition of recombinant human ALDH1A1 using 800 uM NAD+ as cofactor by Lineweaver-Burk plot analysis in presence of 100 to 800 uM aceta...More data for this Ligand-Target Pair
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076741(CHEMBL3416562)
Affinity DataIC50: >5.70E+4nMAssay Description:Inhibition of ALDH1A1 in human MIAPaCa2 cells after 30 mins by aldefluor assayMore data for this Ligand-Target Pair
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076741(CHEMBL3416562)
Affinity DataIC50:  4.60E+3nMAssay Description:Inhibition of human ALDH1A1 using propionaldehyde as substrate in presence of NAD+ by UV-visible spectrophometric analysisMore data for this Ligand-Target Pair
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076741(CHEMBL3416562)
Affinity DataIC50:  6.89E+3nMAssay 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
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076741(CHEMBL3416562)
Affinity DataIC50:  20nMAssay Description:Inhibition of ALDH1A (unknown origin)More data for this Ligand-Target Pair
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076741(CHEMBL3416562)
Affinity DataIC50:  4.60E+3nMAssay Description:Inhibition of human ALDH1A1 assessed as NADH formation using propionaldehyde as substrate by spectrophotometryMore data for this Ligand-Target Pair
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076741(CHEMBL3416562)
Affinity DataIC50:  4.60E+3nMAssay Description:Inhibition of recombinant human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis...More data for this Ligand-Target Pair
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076741(CHEMBL3416562)
Affinity DataEC50:  3.04E+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