Reaction Details |
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Target | Calpain-1 catalytic subunit |
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Ligand | BDBM50084655 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1791645 (CHEMBL4263564) |
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IC50 | 52±n/a nM |
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Citation | Gutiérrez, S; Morón, M; Griera, M; Sucunza, D; Calleros, L; García-Jérez, A; Coderch, C; Hermoso, FJ; Burgos, C; Rodríguez-Puyol, M; de Pascual-Teresa, B; Diez-Marques, ML; Jimenez, A; Toro-Londoño, M; Rodríguez-Puyol, D; Vaquero, JJ Discovery of potent calpain inhibitors based on the azolo-imidazolidenone scaffold. Eur J Med Chem157:946-959 (2018) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Calpain-1 catalytic subunit |
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Name: | Calpain-1 catalytic subunit |
Synonyms: | CAN1_HUMAN | CANPL1 | CAPN1 | Calpain µ-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: | MSEEIITPVYCTGVSAQVQKQRARELGLGRHENAIKYLGQDYEQLRVRCLQSGTLFRDEA
FPPVPQSLGYKDLGPNSSKTYGIKWKRPTELLSNPQFIVDGATRTDICQGALGDCWLLAA
IASLTLNDTLLHRVVPHGQSFQNGYAGIFHFQLWQFGEWVDVVVDDLLPIKDGKLVFVHS
AEGNEFWSALLEKAYAKVNGSYEALSGGSTSEGFEDFTGGVTEWYELRKAPSDLYQIILK
ALERGSLLGCSIDISSVLDMEAITFKKLVKGHAYSVTGAKQVNYRGQVVSLIRMRNPWGE
VEWTGAWSDSSSEWNNVDPYERDQLRVKMEDGEFWMSFRDFMREFTRLEICNLTPDALKS
RTIRKWNTTLYEGTWRRGSTAGGCRNYPATFWVNPQFKIRLDETDDPDDYGDRESGCSFV
LALMQKHRRRERRFGRDMETIGFAVYEVPPELVGQPAVHLKRDFFLANASRARSEQFINL
REVSTRFRLPPGEYVVVPSTFEPNKEGDFVLRFFSEKSAGTVELDDQIQANLPDEQVLSE
EEIDENFKALFRQLAGEDMEISVKELRTILNRIISKHKDLRTKGFSLESCRSMVNLMDRD
GNGKLGLVEFNILWNRIRNYLSIFRKFDLDKSGSMSAYEMRMAIESAGFKLNKKLYELII
TRYSEPDLAVDFDNFVCCLVRLETMFRFFKTLDTDLDGVVTFDLFKWLQLTMFA
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BDBM50084655 |
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n/a |
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Name | BDBM50084655 |
Synonyms: | CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester | [1-((S)-(S)-1-Formyl-pentylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester | [1-(1-Formyl-pentylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester | [1-(1-Formyl-pentylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester(calpeptin) | benzyl (S)-4-methyl-1-oxo-1-((S)-1-oxohexan-2-ylamino)pentan-2-ylcarbamate |
Type | Small organic molecule |
Emp. Form. | C20H30N2O4 |
Mol. Mass. | 362.4632 |
SMILES | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| |
Structure |
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