null

SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cc1)C=O

InChI Key InChIKey=FMTZTJFXNZOBIQ-ZDUSSCGKSA-N

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 220   

TargetCaspase-8(Homo sapiens (Human))
Sunesis Pharmaceuticals

LigandPNGBDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)copy SMILEScopy InChI
Affinity DataKi:  150nM ΔG°:  -9.30kcal/molepH: 7.4 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B56GW5PubMed
TargetCaspase-1(Homo sapiens (Human))
Sunesis Pharmaceuticals

LigandPNGBDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)copy SMILEScopy InChI
Affinity DataKi:  160nM ΔG°:  -9.26kcal/molepH: 7.4 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B56GW5PubMed
TargetCaspase-3(Homo sapiens (Human))TBA
LigandPNGBDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)copy SMILEScopy InChI
Affinity DataKi:  200nMAssay Description:Inhibition of recombinant human caspase 3 using Ac-Asp-Glu-Val-Asp-AFC as substrate preincubated for 30 mins followed by substrate addition and measu...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KD22HBPubMed
TargetCaspase-3(Homo sapiens (Human))TBA
LigandPNGBDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)copy SMILEScopy InChI
Affinity DataKi:  200nM ΔG°:  -9.13kcal/molepH: 7.4 T: 2°CMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B56GW5PubMed
TargetCaspase-7(Homo sapiens (Human))
Sunesis Pharmaceuticals

LigandPNGBDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)copy SMILEScopy InChI
Affinity DataKi:  470nM ΔG°:  -8.63kcal/molepH: 7.4 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B56GW5PubMed
TargetCaspase-6(Homo sapiens (Human))
Sunesis Pharmaceuticals

LigandPNGBDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)copy SMILEScopy InChI
Affinity DataKi:  1.00E+3nM ΔG°:  -8.18kcal/molepH: 7.4 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B56GW5PubMed
TargetCaspase-2(Homo sapiens (Human))
Sunesis Pharmaceuticals

LigandPNGBDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)copy SMILEScopy InChI
Affinity DataKi:  9.00E+3nM ΔG°:  -6.88kcal/molepH: 7.4 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B56GW5PubMed
TargetCaspase-5(Homo sapiens (Human))
Sunesis Pharmaceuticals

LigandPNGBDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)copy SMILEScopy InChI
Affinity DataKi:  1.20E+4nM ΔG°:  -6.71kcal/molepH: 7.4 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B56GW5PubMed
TargetCaspase-4(Homo sapiens (Human))
Sunesis Pharmaceuticals

LigandPNGBDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)copy SMILEScopy InChI
Affinity DataKi:  2.10E+4nM ΔG°:  -6.38kcal/molepH: 7.4 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B56GW5PubMed