| Reaction Details |
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 | Report a problem with these data |
| Target | Kallikrein-1 |
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| Ligand | BDBM408691 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Inhibitory Activity In Vitro |
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| IC50 | >10000±n/a nM |
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| Citation |  Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST N-((het)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors US Patent US11198691 Publication Date 12/14/2021 |
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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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| BDBM408691 |
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| n/a |
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| Name | BDBM408691 |
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| Synonyms: | N-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-1-({4-[(4-methylpyrazol-1- yl)methyl]phenyl}methyl)-3-(trifluoromethyl)pyrazole-4-carboxamide | US10364238, Example 15 | US11001578, Example 15 | US11084809, Example 15 | US11198691, Example 15 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H20F7N5O |
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| Mol. Mass. | 539.448 |
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| SMILES | Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4c(F)cccc4C(F)(F)F)c(n3)C(F)(F)F)cc2)c1 |
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| Structure | 
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