Reaction Details |
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Target | Cathepsin B |
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Ligand | BDBM19828 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_821154 (CHEMBL2039696) |
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IC50 | 102000±n/a nM |
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Citation | Stumpfe, D; Bajorath, J Exploring activity cliffs in medicinal chemistry. J Med Chem55:2932-42 (2012) [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 |
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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BDBM19828 |
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n/a |
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Name | BDBM19828 |
Synonyms: | (1R,2R)-2-{[(3-chlorophenyl)sulfanyl]methyl}-N-(cyanomethyl)cyclohexane-1-carboxamide | Cyclohexanecarboxamide derivative, 12l | racemic mixture |
Type | Small organic molecule |
Emp. Form. | C16H19ClN2OS |
Mol. Mass. | 322.853 |
SMILES | Clc1cccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)c1 |r| |
Structure |
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