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Target
Chymotrypsinogen B
Ligand
BDBM50187800
Substrate
n/a
Meas. Tech.
ChEMBL_385591 (CHEMBL869124)
Ki
>150000±n/a nM
Citation
 Sperandio, D; Tai, VW; Lohman, J; Hirschbein, B; Mendonca, R; Lee, CS; Spencer, JR; Janc, J; Nguyen, M; Beltman, J; Sprengeler, P; Scheerens, H; Lin, T; Liu, L; Gadre, A; Kellogg, A; Green, MJ; McGrath, ME Novel, potent, selective, and orally bioavailable human betaII-tryptase inhibitors. Bioorg Med Chem Lett 16:4085-9 (2006) [PubMed]  Article 
Target
Name:
Chymotrypsinogen B
Synonyms:
A0A2R8YG87_HUMAN | Beta-chymotrypsin | CTRB1 | Chymotrypsin B chain A | Chymotrypsin B chain B | Chymotrypsin B chain C | Chymotrypsinogen B
Type:
PROTEIN
Mol. Mass.:
27871.19
Organism:
Homo sapiens (Human)
Description:
ChEMBL_216634
Residue:
263
Sequence:
MAFLWLLSCWALLGTTFGCGVPAIHPVLSGLSRIVNGEDAVPGSWPWQVSLQDKTGFHFCGGSLISEDWVVTAAHCGVRTSDVVVAGEFDQGSDEENIQVLKIAKVFKNPKFSILTVNNDITLLKLATPARFSQTVSAVCLPSADDDFPAGTLCATTGWGKTKYNANKTPDKLQQAALPLLSNAECKKSWGRRITDVMICAGASGVSSCMGDSGGPLVCQKDGAWTLVGIVSWGSDTCSTSSPGVYARVTKLIPWVQKILAAN
  
Inhibitor
Name:
BDBM50187800
Synonyms:
(S)-ethyl 1-(5-(4-phenethoxybenzyl)-1,2,4-oxadiazol-3-yl)-6-amino-1-oxohexan-2-ylcarbamate | CHEMBL211561
Type:
Small organic molecule
Emp. Form.:
C26H32N4O5
Mol. Mass.:
480.5561
SMILES:
CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(OCCc3ccccc3)cc2)n1
Structure:
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