| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin B |
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| Ligand | BDBM50257018 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_562602 (CHEMBL1016183) |
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| Ki | 7300±n/a nM |
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| Citation |  Ettari, R; Micale, N; Schirmeister, T; Gelhaus, C; Leippe, M; Nizi, E; Di Francesco, ME; Grasso, S; Zappalà, M Novel peptidomimetics containing a vinyl ester moiety as highly potent and selective falcipain-2 inhibitors. J Med Chem52:2157-60 (2009) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cathepsin B |
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| Name: | Cathepsin B |
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| Synonyms: | APP secretase | APPS | CATB_HUMAN | CPSB | CTSB | Cathepsin B heavy chain | Cathepsin B light chain | Cathepsin B1 |
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| Type: | Enzyme |
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| Mol. Mass.: | 37819.69 |
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| Organism: | Homo sapiens (Human) |
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| Description: | gi_63102437 |
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| Residue: | 339 |
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| Sequence: | MWQLWASLCCLLVLANARSRPSFHPLSDELVNYVNKRNTTWQAGHNFYNVDMSYLKRLCG
TFLGGPKPPQRVMFTEDLKLPASFDAREQWPQCPTIKEIRDQGSCGSCWAFGAVEAISDR
ICIHTNAHVSVEVSAEDLLTCCGSMCGDGCNGGYPAEAWNFWTRKGLVSGGLYESHVGCR
PYSIPPCEHHVNGSRPPCTGEGDTPKCSKICEPGYSPTYKQDKHYGYNSYSVSNSEKDIM
AEIYKNGPVEGAFSVYSDFLLYKSGVYQHVTGEMMGGHAIRILGWGVENGTPYWLVANSW
NTDWGDNGFFKILRGQDHCGIESEVVAGIPRTDQYWEKI
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| BDBM50257018 |
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| n/a |
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| Name | BDBM50257018 |
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| Synonyms: | (E)-methyl4-(2-((R,Z)-3-((4-chloro-2-(trifluoromethyl)phenylcarbamoyloxy)methyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-1-yl)acetamido)but-2-enoate | 4-{2-[3-(4-Chloro-2-trifluoromethyl-phenylcarbamoyloxymethyl) (3R)-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetylamino}-but-2-enoic acid methyl ester | CHEMBL501901 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H26ClF3N4O6 |
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| Mol. Mass. | 643.01 |
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| SMILES | COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:19| |
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| Structure | 
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