Reaction Details Report a problem with these data
Target
Calpain-1 catalytic subunit
Ligand
BDBM50189822
Substrate
n/a
Meas. Tech.
ChEMBL_367107 (CHEMBL863671)
IC50
150±n/a nM
Citation
 Shirasaki, Y; Nakamura, M; Yamaguchi, M; Miyashita, H; Sakai, O; Inoue, J Exploration of orally available calpain inhibitors 2: peptidyl hemiacetal derivatives. J Med Chem 49:3926-32 (2006) [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:
BDBM50189822
Synonyms:
(2S)-2-((benzylamino)thioxomethyl)amino)-4-methyl-N-((3S)-tetrahydro-2-hydroxy-3-furanyl)pentanamide | CHEMBL379402
Type:
Small organic molecule
Emp. Form.:
C18H27N3O3S
Mol. Mass.:
365.49
SMILES:
CC(C)C[C@H](NC(=S)NCc1ccccc1)C(=O)N[C@H]1CCOC1O
Structure:
Search PDB for entries with ligand similarity: