Reaction Details |
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Target | Cathepsin B |
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Ligand | BDBM50107629 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_47411 (CHEMBL657288) |
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IC50 | 35.7±n/a nM |
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Citation | Greenspan, PD; Clark, KL; Tommasi, RA; Cowen, SD; McQuire, LW; Farley, DL; van Duzer, JH; Goldberg, RL; Zhou, H; Du, Z; Fitt, JJ; Coppa, DE; Fang, Z; Macchia, W; Zhu, L; Capparelli, MP; Goldstein, R; Wigg, AM; Doughty, JR; Bohacek, RS; Knap, AK Identification of dipeptidyl nitriles as potent and selective inhibitors of cathepsin B through structure-based drug design. J Med Chem44:4524-34 (2001) [PubMed] |
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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 |
Synonyms: | APP secretase | APPS | CATB_HUMAN | CPSB | CTSB | Cathepsin B heavy chain | Cathepsin B light chain | Cathepsin B1 |
Type: | Enzyme |
Mol. Mass.: | 37819.69 |
Organism: | Homo sapiens (Human) |
Description: | gi_63102437 |
Residue: | 339 |
Sequence: | MWQLWASLCCLLVLANARSRPSFHPLSDELVNYVNKRNTTWQAGHNFYNVDMSYLKRLCG
TFLGGPKPPQRVMFTEDLKLPASFDAREQWPQCPTIKEIRDQGSCGSCWAFGAVEAISDR
ICIHTNAHVSVEVSAEDLLTCCGSMCGDGCNGGYPAEAWNFWTRKGLVSGGLYESHVGCR
PYSIPPCEHHVNGSRPPCTGEGDTPKCSKICEPGYSPTYKQDKHYGYNSYSVSNSEKDIM
AEIYKNGPVEGAFSVYSDFLLYKSGVYQHVTGEMMGGHAIRILGWGVENGTPYWLVANSW
NTDWGDNGFFKILRGQDHCGIESEVVAGIPRTDQYWEKI
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BDBM50107629 |
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n/a |
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Name | BDBM50107629 |
Synonyms: | 3-[2-Cyano-2-(2-pentanoylamino-3-m-tolyl-propionylamino)-ethoxymethyl]-benzoic acid | CHEMBL141793 |
Type | Small organic molecule |
Emp. Form. | C26H31N3O5 |
Mol. Mass. | 465.5414 |
SMILES | CCCCC(=O)N[C@@H](Cc1cccc(C)c1)C(=O)N[C@@H](COCc1cccc(c1)C(O)=O)C#N |
Structure |
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