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Target
Chymotrypsinogen B
Ligand
BDBM50073138
Substrate
n/a
Meas. Tech.
ChEMBL_216467 (CHEMBL818537)
IC50
73000±n/a nM
Citation
 Iijima, K; Katada, J; Yasuda, E; Uno, I; Hayashi, Y N-[2,2-dimethyl-3-(N-(4-cyanobenzoyl)amino)nonanoyl]-L-phenylalanine ethyl ester as a stable ester-type inhibitor of chymotrypsin-like serine proteases: structural requirements for potent inhibition of alpha-chymotrypsin. J Med Chem 42:312-23 (1999) [PubMed]  Article 
Target
Name:
Chymotrypsinogen B
Synonyms:
Beta-chymotrypsin | CTRB_BOVIN
Type:
PROTEIN
Mol. Mass.:
25751.02
Organism:
Bos taurus
Description:
ChEMBL_216467
Residue:
245
Sequence:
CGVPAIQPVLSGLARIVNGEDAVPGSWPWQVSLQDSTGFHFCGGSLISEDWVVTAAHCGVTTSDVVVAGEFDQGLETEDTQVLKIGKVFKNPKFSILTVRNDITLLKLATPAQFSETVSAVCLPSADEDFPAGMLCATTGWGKTKYNALKTPDKLQQATLPIVSNTDCRKYWGSRVTDVMICAGASGVSSCMGDSGGPLVCQKNGAWTLAGIVSWGSSTCSTSTPAVYARVTALMPWVQETLAAN
  
Inhibitor
Name:
BDBM50073138
Synonyms:
(S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonanoylamino]-3-phenyl-propionic acid tert-butyl ester | CHEMBL320712
Type:
Small organic molecule
Emp. Form.:
C32H43N3O4
Mol. Mass.:
533.7015
SMILES:
CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C
Structure:
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