BDBM10246 (4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid::Ac-DEVD-CHO::CHEMBL417149
SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O
InChI Key InChIKey=UMBVAPCONCILTL-MRHIQRDNSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 29 hits for monomerid = 10246
Affinity DataKi: 0.230nM ΔG°: -13.1kcal/molepH: 7.5 T: 2°CAssay Description:The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...More data for this Ligand-Target Pair
Affinity DataKi: 18nM ΔG°: -10.6kcal/molepH: 7.5 T: 2°CAssay Description:The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...More data for this Ligand-Target Pair
Affinity DataKi: 77nMAssay Description:Enzyme activities with or without inhibitors were measured using a fluorescence assay. The formation of the cleavage product AFC was monitored for 90...More data for this Ligand-Target Pair
Affinity DataIC50: 3.10nMpH: 7.5 T: 2°CAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...More data for this Ligand-Target Pair
Affinity DataIC50: 27nMpH: 7.0 T: 2°CAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...More data for this Ligand-Target Pair
Affinity DataIC50: 43.9nMpH: 7.0 T: 2°CAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...More data for this Ligand-Target Pair
Affinity DataIC50: 27nMpH: 7.0 T: 2°CAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...More data for this Ligand-Target Pair
Affinity DataIC50: 190nMAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...More data for this Ligand-Target Pair
Affinity DataIC50: 87nMAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...More data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataIC50: 130nMAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...More data for this Ligand-Target Pair
Affinity DataIC50: 2.20nMAssay Description:The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...More data for this Ligand-Target Pair
Affinity DataIC50: 130nMAssay Description:Inhibition of caspase-8 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 155nMAssay Description:Inhibition of recombinant human caspase-7 activity using Ac-DEVD-AMC as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 76nMAssay Description:Inhibition of recombinant human caspase-3 activity using Ac-DEVD-AMC as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.70nMAssay Description:Inhibition of His-tagged human recombinant caspase 3 expressed in Escherichia coli using acetyl-Asp-Glu-Val-Asp-7- amido-4-methylcoumarin (Ac-DEVD-AM...More data for this Ligand-Target Pair
Affinity DataIC50: 60nMAssay Description:Inhibition of His-tagged human recombinant caspase 7 expressed in Escherichia coli using acetyl-Asp-Glu-Val-Asp-7- amido-4-methylcoumarin (Ac-DEVD-AM...More data for this Ligand-Target Pair
Affinity DataIC50: 59.1nMAssay Description:Inhibition of human recombinant caspase 7 assessed as fluorescent 7-amido-4-methylcoumarin releaseMore data for this Ligand-Target Pair
Affinity DataIC50: 1.60nMAssay Description:Inhibition of human recombinant caspase 3 assessed as fluorescent 7-amido-4-methylcoumarin releaseMore data for this Ligand-Target Pair
Affinity DataIC50: 2.20nMAssay Description:Inhibition of human caspase 3 by fluorometric assayMore data for this Ligand-Target Pair
Affinity DataIC50: 2.90nMAssay Description:Inhibition of caspase 7 by fluorometric assayMore data for this Ligand-Target Pair
Affinity DataIC50: 7.00E+4nMAssay Description:Amidolytic activity of THP.1 cell lysate against IL-1 beta converting enzyme using C1-Asp-AMC as a substrateChecked by AuthorMore data for this Ligand-Target Pair
Affinity DataIC50: 0.200nMAssay Description:Inhibition of recombinant human caspase-3 using Ac-LDEVD-AMC as substrate assessed as accumulation of 7-AMC incubated for 10 mins followed by substra...More data for this Ligand-Target Pair
Affinity DataIC50: 190nMAssay Description:Inhibition of caspase-1 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 27nMAssay Description:Inhibition of caspase-3 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 87nMAssay Description:Inhibition of caspase-7 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 8.5nMAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...More data for this Ligand-Target Pair
Affinity DataIC50: 3.80nMpH: 7.4 T: 2°CAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...More data for this Ligand-Target Pair
Affinity DataIC50: 21nMpH: 7.5 T: 2°CAssay Description:The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...More data for this Ligand-Target Pair
Affinity DataIC50: 2.95nMAssay Description:The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...More data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 1 hit for monomerid = 10246
ITC DataΔG°: -9.75kcal/mole −TΔS°: -4.09kcal/mole ΔH°: -5.65kcal/mole logk: 1.47E+7
pH: 7.2 T: 25.00°C
pH: 7.2 T: 25.00°C