BDBM12197 (3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]propanamido]-4-oxo-9-phenylnonanoic acid::tetrapeptide inhibitor 1

SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCCCc1ccccc1

InChI Key InChIKey=BAHXAEZPSDVZAI-UHFFFAOYSA-N

Data  3 KI  1 IC50

  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 4 hits for monomerid = 12197   

TargetCaspase-1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM12197((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Affinity DataIC50: 78nMAssay Description:Inhibition of ICEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed
TargetCaspase-1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM12197((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Affinity DataKi:  11nM ΔG°:  -11.3kcal/molepH: 7.0 T: 2°CAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2006
Entry Details Article
PubMed
TargetCaspase-1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM12197((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Affinity DataKi:  11nMAssay Description:Inhibition of ICEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed
TargetCaspase-1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM12197((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Affinity DataKi:  19nMAssay Description:The compound was tested for its inhibitory activity against IL-1 beta converting enzymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article