Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-cyanopyridin-2-yl)-2-methylbenzamide
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 PubChem ID
CID: 132213349
Canonical SMILES
Cc1cc(CN2[C@H](Cc3ccccn3)C(=O)Nc3cc(Cl)ccc3C2=O)ccc1C(=O)Nc1ccc(cn1)C#N
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Compound Formula C30H23ClN6O3
Compound Structure
Protein Name
 Protein Info 
Toxin B
Protein Classification
Enzyme
>
Hydrolase
Uniprot ID
P18177
Gene Name
TCDB
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 78 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3 nM