BDBM224 (S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfanyl)-2-oxo-propylcarbamoyl]thiazol-2-hydroxy-benzoic Acidylmethyl}sulfamoyl)-2-::5-{[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxobutan-2-yl]carbamoyl}-1,3-thiazol-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Heterocyclic deriv. 64b::Inhibitor 64b

SMILES OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl

InChI Key InChIKey=VCWYKJKQZUPTQP-KRWDZBQOSA-N

Data  8 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 224   

TargetCaspase-3(Homo sapiens (Human))
Sunesis Pharmaceuticals

LigandPNGBDBM224((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Affinity DataKi:  30nM ΔG°:  -10.3kcal/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

LigandPNGBDBM224((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Affinity DataKi:  90nM ΔG°:  -9.61kcal/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

LigandPNGBDBM224((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Affinity DataKi:  2.30E+3nM ΔG°:  -7.69kcal/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

LigandPNGBDBM224((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Affinity DataKi:  8.30E+3nM ΔG°:  -6.93kcal/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

LigandPNGBDBM224((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Affinity DataKi:  1.30E+4nM ΔG°:  -6.66kcal/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

LigandPNGBDBM224((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Affinity DataKi:  1.60E+4nM ΔG°:  -6.54kcal/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-8(Homo sapiens (Human))
Sunesis Pharmaceuticals

LigandPNGBDBM224((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Affinity DataKi:  1.90E+4nM ΔG°:  -6.44kcal/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

LigandPNGBDBM224((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Affinity DataKi:  2.30E+4nM ΔG°:  -6.32kcal/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