Reaction Details |
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Target | Cathepsin B |
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Ligand | BDBM50196752 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_440732 (CHEMBL889829) |
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IC50 | 396±n/a nM |
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Citation | Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Design of potent inhibitors of human beta-secretase. Part 2. Bioorg Med Chem Lett17:78-81 (2006) [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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BDBM50196752 |
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n/a |
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Name | BDBM50196752 |
Synonyms: | CHEMBL412852 | N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)-4-methylbenzamide |
Type | Small organic molecule |
Emp. Form. | C37H49F2N3O5S |
Mol. Mass. | 685.864 |
SMILES | CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(C)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 |
Structure |
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