Reaction Details Report a problem with these data
Target
Calpain-1 catalytic subunit
Ligand
BDBM50128678
Substrate
n/a
Meas. Tech.
ChEMBL_43669 (CHEMBL656202)
Ki
8.4±n/a nM
Citation
 Lubisch, W; Beckenbach, E; Bopp, S; Hofmann, HP; Kartal, A; Kästel, C; Lindner, T; Metz-Garrecht, M; Reeb, J; Regner, F; Vierling, M; Möller, A Benzoylalanine-derived ketoamides carrying vinylbenzyl amino residues: discovery of potent water-soluble calpain inhibitors with oral bioavailability. J Med Chem 46:2404-12 (2003) [PubMed]  Article 
Target
Name:
Calpain-1 catalytic subunit
Synonyms:
CAN1_HUMAN | CANPL1 | CAPN1 | Calpain ยต-type | Calpain-1 (u-Calpain) | Calpain-1 catalytic subunit | Calpain1
Type:
Protein
Mol. Mass.:
81880.51
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
714
Sequence:
MSEEIITPVYCTGVSAQVQKQRARELGLGRHENAIKYLGQDYEQLRVRCLQSGTLFRDEAFPPVPQSLGYKDLGPNSSKTYGIKWKRPTELLSNPQFIVDGATRTDICQGALGDCWLLAAIASLTLNDTLLHRVVPHGQSFQNGYAGIFHFQLWQFGEWVDVVVDDLLPIKDGKLVFVHSAEGNEFWSALLEKAYAKVNGSYEALSGGSTSEGFEDFTGGVTEWYELRKAPSDLYQIILKALERGSLLGCSIDISSVLDMEAITFKKLVKGHAYSVTGAKQVNYRGQVVSLIRMRNPWGEVEWTGAWSDSSSEWNNVDPYERDQLRVKMEDGEFWMSFRDFMREFTRLEICNLTPDALKSRTIRKWNTTLYEGTWRRGSTAGGCRNYPATFWVNPQFKIRLDETDDPDDYGDRESGCSFVLALMQKHRRRERRFGRDMETIGFAVYEVPPELVGQPAVHLKRDFFLANASRARSEQFINLREVSTRFRLPPGEYVVVPSTFEPNKEGDFVLRFFSEKSAGTVELDDQIQANLPDEQVLSEEEIDENFKALFRQLAGEDMEISVKELRTILNRIISKHKDLRTKGFSLESCRSMVNLMDRDGNGKLGLVEFNILWNRIRNYLSIFRKFDLDKSGSMSAYEMRMAIESAGFKLNKKLYELIITRYSEPDLAVDFDNFVCCLVRLETMFRFFKTLDTDLDGVVTFDLFKWLQLTMFA
  
Inhibitor
Name:
BDBM50128678
Synonyms:
CHEMBL310855 | N-(1-Carbamoyl-2-phenyl-ethyl)-2-(2-naphthalen-1-yl-vinyl)-benzamide
Type:
Small organic molecule
Emp. Form.:
C28H24N2O2
Mol. Mass.:
420.5024
SMILES:
NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1\C=C\c1cccc2ccccc12
Structure:
Search PDB for entries with ligand similarity: