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-UHFFFAOYSA-N

Data  9 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 2 hits for monomerid = 220   

TargetCaspase-3(Human)
University of Lyon

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 220BDBM220(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 Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetCaspase-3(Human)
University of Lyon

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 220BDBM220(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)
Affinity DataKi:  200nM ΔG°:  -9.13kcal/molepH: 7.4 T: 2°CMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed