BDBM50176516 (S)-4-oxo-3-(7-oxo-7-(4-(quinoxalin-2-ylamino)phenylamino)heptanamido)butanoic acid::CHEMBL201919

SMILES OC(=O)C[C@H](NC(=O)CCCCCC(=O)Nc1ccc(Nc2cnc3ccccc3n2)cc1)C=O

InChI Key InChIKey=BEXIKKWZIIPBHB-IBGZPJMESA-N

Data  1 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 1 hit for monomerid = 50176516   

TargetCaspase-1(Human)
Sunesis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50176516((S)-4-oxo-3-(7-oxo-7-(4-(quinoxalin-2-ylamino)phen...)
Affinity DataKi:  2.10E+3nMAssay Description:Inhibitory activity against human Caspase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed