BDBM225 (S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thiophen-2-ylmethyl]sulfamoyl}-2-hydroxy-benzoic Acid::5-{[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}thiophen-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Inhibitor 66a::Thiophene Scaffold 66a

SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C=O

InChI Key InChIKey=VUJHWZDCLPHWMO-VIFPVBQESA-N

Data  8 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 225   

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

LigandPNGBDBM225((S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thi...)
Affinity DataKi:  50nM ΔG°:  -9.95kcal/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 ArticlePubMed
TargetCaspase-7(Homo sapiens (Human))
Sunesis Pharmaceuticals

LigandPNGBDBM225((S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thi...)
Affinity DataKi:  120nM ΔG°:  -9.43kcal/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 ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
Sunesis Pharmaceuticals

LigandPNGBDBM225((S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thi...)
Affinity DataKi:  120nM ΔG°:  -9.43kcal/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 ArticlePubMed
TargetCaspase-6(Homo sapiens (Human))
Sunesis Pharmaceuticals

LigandPNGBDBM225((S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thi...)
Affinity DataKi:  540nM ΔG°:  -8.54kcal/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 ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Sunesis Pharmaceuticals

LigandPNGBDBM225((S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thi...)
Affinity DataKi:  1.90E+3nM ΔG°:  -7.80kcal/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 ArticlePubMed
TargetCaspase-2(Homo sapiens (Human))
Sunesis Pharmaceuticals

LigandPNGBDBM225((S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thi...)
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 ArticlePubMed
TargetCaspase-5(Homo sapiens (Human))
Sunesis Pharmaceuticals

LigandPNGBDBM225((S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thi...)
Affinity DataKi:  2.40E+4nM ΔG°:  -6.30kcal/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 ArticlePubMed
TargetCaspase-4(Homo sapiens (Human))
Sunesis Pharmaceuticals

LigandPNGBDBM225((S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thi...)
Affinity DataKi:  3.80E+4nM ΔG°:  -6.03kcal/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 ArticlePubMed