Reaction Details Report a problem with these data
Target
Chymotrypsinogen B
Ligand
BDBM50075110
Substrate
n/a
Meas. Tech.
ChEMBL_216469 (CHEMBL818539)
IC50
15±n/a nM
Citation
 Iijima, K; Katada, J; Hayashi, Y Symmetrical anhydride-type serine protease inhibitors: structure-activity relationship studies of human chymase inhibitors. Bioorg Med Chem Lett 9:413-8 (1999) [PubMed]  Article 
Target
Name:
Chymotrypsinogen B
Synonyms:
Beta-chymotrypsin | CTRB | CTRB1 | CTRB1_HUMAN | Chymotrypsin B chain A | Chymotrypsin B chain B | Chymotrypsin B chain C | Chymotrypsinogen B | Synonyms=CTRB
Type:
PROTEIN
Mol. Mass.:
27713.98
Organism:
Homo sapiens (Human)
Description:
ChEMBL_10909
Residue:
263
Sequence:
MASLWLLSCFSLVGAAFGCGVPAIHPVLSGLSRIVNGEDAVPGSWPWQVSLQDKTGFHFCGGSLISEDWVVTAAHCGVRTSDVVVAGEFDQGSDEENIQVLKIAKVFKNPKFSILTVNNDITLLKLATPARFSQTVSAVCLPSADDDFPAGTLCATTGWGKTKYNANKTPDKLQQAALPLLSNAECKKSWGRRITDVMICAGASGVSSCMGDSGGPLVCQKDGAWTLVGIVSWGSDTCSTSSPGVYARVTKLIPWVQKILAAN
  
Inhibitor
Name:
BDBM50075110
Synonyms:
2-(4-cyanophenylcarboxamido)-1,1-dimethyl-2-phenylpropanoic anhydride | CHEMBL134816
Type:
Small organic molecule
Emp. Form.:
C38H34N4O5
Mol. Mass.:
626.7004
SMILES:
CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: