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-UHFFFAOYSA-N

Data  8 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 225   

TargetCaspase-8(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM225(Thiophene Scaffold 66a | (S)-5-5-(1-Carboxymethyl-...)
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 Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed
TargetCaspase-3(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM225(Thiophene Scaffold 66a | (S)-5-5-(1-Carboxymethyl-...)
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 Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed
TargetCaspase-7(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM225(Thiophene Scaffold 66a | (S)-5-5-(1-Carboxymethyl-...)
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 Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed
TargetCaspase-6(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM225(Thiophene Scaffold 66a | (S)-5-5-(1-Carboxymethyl-...)
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 Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed
TargetCaspase-1(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM225(Thiophene Scaffold 66a | (S)-5-5-(1-Carboxymethyl-...)
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 Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed
TargetCaspase-2(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM225(Thiophene Scaffold 66a | (S)-5-5-(1-Carboxymethyl-...)
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 Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed
TargetCaspase-5(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM225(Thiophene Scaffold 66a | (S)-5-5-(1-Carboxymethyl-...)
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 Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed
TargetCaspase-4(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM225(Thiophene Scaffold 66a | (S)-5-5-(1-Carboxymethyl-...)
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 Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed