BDBM50456223 CHEMBL4206892
SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(CC1)(C#N)c1ccccc1
InChI Key InChIKey=XMNLWOQHMQRHDV-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 17 hits for monomerid = 50456223
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences
Curated by ChEMBL
National Center For Advancing Translational Sciences
Curated by ChEMBL
Affinity DataKi: 5.5nMAssay Description:Inhibition of human ALDH1A1 using propionaldehyde as substrate and varied concentration of NAD+ as cofactor preincubated for 15 mins followed by subs...More data for this Ligand-Target Pair
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences
Curated by ChEMBL
National Center For Advancing Translational Sciences
Curated by ChEMBL
Affinity DataKi: 26nMAssay Description:Inhibition of human ALDH1A1 using NAD+ as cofactor and varied concentration of propionaldehyde as substrate preincubated for 15 mins followed by subs...More data for this Ligand-Target Pair
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences
Curated by ChEMBL
National Center For Advancing Translational Sciences
Curated by ChEMBL
Affinity DataEC50: 3.40E+3nMAssay 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
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences
Curated by ChEMBL
National Center For Advancing Translational Sciences
Curated by ChEMBL
Affinity DataIC50: 848nMAssay Description:Inhibition of ALDH1A1 in human SKOV3TR cells assessed as potentiation of paclitaxel-mediated cytotoxicity by measuring paclitaxel IC50 at 1 uM after ...More data for this Ligand-Target Pair
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences
Curated by ChEMBL
National Center For Advancing Translational Sciences
Curated by ChEMBL
Affinity DataIC50: 25nMAssay Description:Inhibition of ALDH1A1 in human SKOV3TR cells assessed as potentiation of paclitaxel-mediated cytotoxicity by measuring paclitaxel IC50 at 10 uM after...More data for this Ligand-Target Pair
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences
Curated by ChEMBL
National Center For Advancing Translational Sciences
Curated by ChEMBL
Affinity DataIC50: 30nMAssay 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))
National Center For Advancing Translational Sciences
Curated by ChEMBL
National Center For Advancing Translational Sciences
Curated by ChEMBL
Affinity DataIC50: 7nMAssay 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
TargetCytochrome P450 3A4(Homo sapiens (Human))
National Center For Advancing Translational Sciences
Curated by ChEMBL
National Center For Advancing Translational Sciences
Curated by ChEMBL
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human CYP3A4 using midazolam as substrateMore data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
National Center For Advancing Translational Sciences
Curated by ChEMBL
National Center For Advancing Translational Sciences
Curated by ChEMBL
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences
Curated by ChEMBL
National Center For Advancing Translational Sciences
Curated by ChEMBL
Affinity DataIC50: 20nMAssay Description:Inhibition of human ALDH1A1 using all-trans-retinal as substrate preincubated for 15 mins followed by substrate addition measured for 30 mins by fluo...More data for this Ligand-Target Pair
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences
Curated by ChEMBL
National Center For Advancing Translational Sciences
Curated by ChEMBL
Affinity DataEC50: 2.00E+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
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences
Curated by ChEMBL
National Center For Advancing Translational Sciences
Curated by ChEMBL
Affinity DataIC50: 9.20nMAssay Description:Inhibition of ALDH1A1 in human SKOV3TR cells assessed as potentiation of paclitaxel-mediated cytotoxicity by measuring paclitaxel IC50 at 20 uM after...More data for this Ligand-Target Pair
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences
Curated by ChEMBL
National Center For Advancing Translational Sciences
Curated by ChEMBL
Affinity DataIC50: 226nMAssay Description:Inhibition of ALDH1A1 in human SKOV3TR cells assessed as potentiation of paclitaxel-mediated cytotoxicity by measuring paclitaxel IC50 at 3 uM after ...More data for this Ligand-Target Pair
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences
Curated by ChEMBL
National Center For Advancing Translational Sciences
Curated by ChEMBL
Affinity DataIC50: 6.5nMAssay Description:Inhibition of ALDH1A1 in human SKOV3TR cells assessed as potentiation of paclitaxel-mediated cytotoxicity by measuring paclitaxel IC50 at 30 uM after...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
National Center For Advancing Translational Sciences
Curated by ChEMBL
National Center For Advancing Translational Sciences
Curated by ChEMBL
Affinity DataIC50: 5.46E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences
Curated by ChEMBL
National Center For Advancing Translational Sciences
Curated by ChEMBL
Affinity DataEC50: 2.72E+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
TargetCytochrome P450 2D6(Homo sapiens (Human))
National Center For Advancing Translational Sciences
Curated by ChEMBL
National Center For Advancing Translational Sciences
Curated by ChEMBL
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair