| Reaction Details |
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 | Report a problem with these data |
| Target | Kallikrein-1 |
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| Ligand | BDBM408666 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Determination of the IC50 for KLK1 |
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| IC50 | >10000±n/a nM |
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| Citation |  Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP Pyrazole derivatives as plasma kallikrein inhibitors US Patent US11180484 Publication Date 11/23/2021 |
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| More Info.: | Get all data from this article, Assay Method |
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| Kallikrein-1 |
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| Name: | Kallikrein-1 |
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| Synonyms: | KLK1 | KLK1_HUMAN | Kallikrein 1 | Kallikrein-1 | Kidney/pancreas/salivary gland kallikrein | Tissue kallikrein |
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| Type: | Enzyme |
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| Mol. Mass.: | 28874.69 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P06870 |
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| Residue: | 262 |
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| Sequence: | MWFLVLCLALSLGGTGAAPPIQSRIVGGWECEQHSQPWQAALYHFSTFQCGGILVHRQWV
LTAAHCISDNYQLWLGRHNLFDDENTAQFVHVSESFPHPGFNMSLLENHTRQADEDYSHD
LMLLRLTEPADTITDAVKVVELPTEEPEVGSTCLASGWGSIEPENFSFPDDLQCVDLKIL
PNDECKKAHVQKVTDFMLCVGHLEGGKDTCVGDSGGPLMCDGVLQGVTSWGYVPCGTPNK
PSVAVRVLSYVKWIEDTIAENS
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| BDBM408666 |
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| n/a |
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| Name | BDBM408666 |
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| Synonyms: | 3-Amino-1-[4-(2-oxo-2H-pyridin-1-ylmethyl)-benzyl]-1H-pyrazole-4-carboxylic acid 2-fluoro-3-methoxy-benzylamide | US10364238, Example 2 | US11001578, Example 2 | US11084809, Example 2 | US11198691, Example 2 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H24FN5O3 |
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| Mol. Mass. | 461.4882 |
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| SMILES | COc1cccc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N)c1F |
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| Structure | 
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