BDBM219 5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxobutan-2-yl]carbamoyl}thiophen-2-yl)methyl](methyl)amino}methyl)-2-hydroxybenzoic acid::Inhibitor 47c::Thiophene Scaffold 47c

SMILES CN(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)Cc1ccc(O)c(c1)C(O)=O

InChI Key InChIKey=FIEQQFOHZKVJLV-NRFANRHFSA-N

Data  8 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 219   

TargetCaspase-3(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM219(5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methy...)
Affinity DataKi:  90nM ΔG°:  -9.61kcal/molepH: 7.4 T: 25°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(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM219(5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methy...)
Affinity DataKi:  190nM ΔG°:  -9.16kcal/molepH: 7.4 T: 25°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(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM219(5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methy...)
Affinity DataKi:  4.00E+3nM ΔG°:  -7.36kcal/molepH: 7.4 T: 25°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(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM219(5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methy...)
Affinity DataKi:  1.20E+4nM ΔG°:  -6.71kcal/molepH: 7.4 T: 25°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(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM219(5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methy...)
Affinity DataKi:  2.20E+4nM ΔG°:  -6.35kcal/molepH: 7.4 T: 25°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(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM219(5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methy...)
Affinity DataKi:  3.00E+4nM ΔG°:  -6.17kcal/molepH: 7.4 T: 25°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(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM219(5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methy...)
Affinity DataKi:  9.60E+4nM ΔG°:  -5.48kcal/molepH: 7.4 T: 25°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(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM219(5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methy...)
Affinity DataKi:  9.80E+4nM ΔG°:  -5.46kcal/molepH: 7.4 T: 25°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