BDBM220 5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}phenyl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Inhibitor 3

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

Data  9 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 9 hits for monomerid = 220   

TargetCaspase-8(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)
Affinity DataKi:  150nM ΔG°:  -9.30kcal/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

LigandPNGBDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)
Affinity DataKi:  160nM ΔG°:  -9.26kcal/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-3(Human)
University of Lyon

Curated by ChEMBL
LigandPNGBDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)
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 ArticlePubMed

TargetCaspase-3(Human)
University of Lyon

Curated by ChEMBL
LigandPNGBDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)
Affinity DataKi:  200nM ΔG°:  -9.13kcal/molepH: 7.4 T: 25°CMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCaspase-7(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)
Affinity DataKi:  470nM ΔG°:  -8.63kcal/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

LigandPNGBDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)
Affinity DataKi:  1.00E+3nM ΔG°:  -8.18kcal/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

LigandPNGBDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)
Affinity DataKi:  9.00E+3nM ΔG°:  -6.88kcal/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

LigandPNGBDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)
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-4(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)
Affinity DataKi:  2.10E+4nM ΔG°:  -6.38kcal/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