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Target
Calpain-1 catalytic subunit
Ligand
BDBM50128682
Substrate
n/a
Meas. Tech.
ChEMBL_43654 (CHEMBL654080)
IC50
700±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 mu-type | Calpain-1 (u-Calpain) | Calpain1
Type:
Protein
Mol. Mass.:
81880.51
Organism:
Human
Description:
n/a
Residue:
714
Sequence:
MSEEIITPVYCTGVSAQVQKQRARELGLGRHENAIKYLGQDYEQLRVRCLQSGTLFRDEAFPPVPQSLGYKDLGPNSSKTYGIKWKRPTELLSNPQFIVDGATRTDICQGALGDCWLLAAIASLTLNDTLLHRVVPHGQSFQNGYAGIFHFQLWQFGEWVDVVVDDLLPIKDGKLVFVHSAEGNEFWSALLEKAYAKVNGSYEALSGGSTSEGFEDFTGGVTEWYELRKAPSDLYQIILKALERGSLLGCSIDISSVLDMEAITFKKLVKGHAYSVTGAKQVNYRGQVVSLIRMRNPWGEVEWTGAWSDSSSEWNNVDPYERDQLRVKMEDGEFWMSFRDFMREFTRLEICNLTPDALKSRTIRKWNTTLYEGTWRRGSTAGGCRNYPATFWVNPQFKIRLDETDDPDDYGDRESGCSFVLALMQKHRRRERRFGRDMETIGFAVYEVPPELVGQPAVHLKRDFFLANASRARSEQFINLREVSTRFRLPPGEYVVVPSTFEPNKEGDFVLRFFSEKSAGTVELDDQIQANLPDEQVLSEEEIDENFKALFRQLAGEDMEISVKELRTILNRIISKHKDLRTKGFSLESCRSMVNLMDRDGNGKLGLVEFNILWNRIRNYLSIFRKFDLDKSGSMSAYEMRMAIESAGFKLNKKLYELIITRYSEPDLAVDFDNFVCCLVRLETMFRFFKTLDTDLDGVVTFDLFKWLQLTMFA
  
Inhibitor
Name:
BDBM50128682
Synonyms:
CHEMBL80605 | N-(1-Carbamoyl-2-phenyl-ethyl)-2-[2-(4-diethylaminomethyl-phenyl)-vinyl]-benzamide
Type:
Small organic molecule
Emp. Form.:
C29H33N3O2
Mol. Mass.:
455.5912
SMILES:
CCN(CC)Cc1ccc(\C=C\c2ccccc2C(=O)NC(Cc2ccccc2)C(N)=O)cc1
Structure:
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