BDBM50058530 (S)-3-{[(1S,9S)-9-(2-Fluoro-benzoylamino)-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepine-1-carbonyl]-amino}-4-oxo-butyric acid::CHEMBL299288

SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1ccccc1F)C=O

InChI Key InChIKey=KXAUXHBXAIZBIR-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50058530   

TargetCaspase-1(Human)
Sanofi Winthrop

Curated by ChEMBL
LigandPNGBDBM50058530((S)-3-{[(1S,9S)-9-(2-Fluoro-benzoylamino)-6,10-dio...)
Affinity DataKi:  1nMAssay Description:Reversible Inhibition constants against IL-1 beta converting enzyme (ICE)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetInterleukin-1 beta(Human)
L J University Ahmedabad

Curated by ChEMBL
LigandPNGBDBM50058530((S)-3-{[(1S,9S)-9-(2-Fluoro-benzoylamino)-6,10-dio...)
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed