| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM25134 |
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| Substrate/Competitor | BDBM19963 |
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| Meas. Tech. | Enzyme Inhibition Assay |
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| pH | 7±n/a |
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| Temperature | 295.15±n/a K |
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| IC50 | 10±1 nM |
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| Citation |  Irie, O; Kosaka, T; Ehara, T; Yokokawa, F; Kanazawa, T; Hirao, H; Iwasaki, A; Sakaki, J; Teno, N; Hitomi, Y; Iwasaki, G; Fukaya, H; Nonomura, K; Tanabe, K; Koizumi, S; Uchiyama, N; Bevan, SJ; Malcangio, M; Gentry, C; Fox, AJ; Yaqoob, M; Culshaw, AJ Discovery of orally bioavailable cathepsin S inhibitors for the reversal of neuropathic pain. J Med Chem51:5502-5 (2008) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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| Cathepsin S |
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| Name: | Cathepsin S |
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| Synonyms: | CATS_MOUSE | Cats | Ctss |
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| Type: | Enzyme |
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| Mol. Mass.: | 38476.67 |
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| Organism: | Mus musculus (Mouse) |
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| Description: | O70370 |
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| Residue: | 340 |
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| Sequence: | MRAPGHAAIRWLFWMPLVCSVAMEQLQRDPTLDYHWDLWKKTHEKEYKDKNEEEVRRLIW
EKNLKFIMIHNLEYSMGMHTYQVGMNDMGDMTNEEILCRMGALRIPRQSPKTVTFRSYSN
RTLPDTVDWREKGCVTEVKYQGSCGACWAFSAVGALEGQLKLKTGKLISLSAQNLVDCSN
EEKYGNKGCGGGYMTEAFQYIIDNGGIEADASYPYKATDEKCHYNSKNRAATCSRYIQLP
FGDEDALKEAVATKGPVSVGIDASHSSFFFYKSGVYDDPSCTGNVNHGVLVVGYGTLDGK
DYWLVKNSWGLNFGDQGYIRMARNNKNHCGIASYCSYPEI
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| BDBM25134 |
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| BDBM19963 |
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| Name | BDBM25134 |
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| Synonyms: | 2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)-6-[4-(4-acetylpiperazin-1-yl)phenoxymethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile | CHEMBL481170 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H34N6O2 |
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| Mol. Mass. | 486.6086 |
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| SMILES | CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 |
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| Structure | 
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