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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Plasma kallikrein | ||
| Ligand | BDBM263235 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Inhibitory Activity Assay | ||
| IC50 | 0.89±0 nM | ||
| Citation |  Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Miller, I; Novak, AR; Smith, AJ; Stocks, MJ Heterocyclic derivates US Patent US9533987 Publication Date 1/3/2017 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Plasma kallikrein | |||
| Name: | Plasma kallikrein | ||
| Synonyms: | Fletcher factor | KLK3 | KLKB1 | KLKB1_HUMAN | Kallikrein | Kininogenin | Plasma kallikrein heavy chain | Plasma kallikrein light chain | Plasma prekallikrein | ||
| Type: | Protein | ||
| Mol. Mass.: | 71391.16 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P03952 | ||
| Residue: | 638 | ||
| Sequence: |
| ||
| BDBM263235 | |||
| n/a | |||
| Name | BDBM263235 | ||
| Synonyms: | 3-(3,5-dimethyl-isoxazol-4-yl)-1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-pyrazole-4-carboxylic acid (1-amino-isoquinolin-6-ylmethyl)-amide | US9533987, example 20 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C31H30N8O2 | ||
| Mol. Mass. | 546.6223 | ||
| SMILES | Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)-c3c(C)noc3C)cc2)c1 |(-10.81,-15.06,;-10.81,-13.52,;-12.06,-12.61,;-11.58,-11.15,;-10.04,-11.15,;-9.14,-9.9,;-7.6,-10.06,;-6.7,-8.82,;-5.17,-8.98,;-4.54,-10.38,;-3.01,-10.55,;-2.1,-9.3,;-2.58,-7.84,;-1.33,-6.93,;-1.33,-5.39,;-2.67,-4.62,;,-4.62,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;5.33,1.54,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;-.09,-7.84,;-.56,-9.3,;1.38,-7.36,;1.85,-5.89,;.95,-4.65,;3.39,-5.89,;3.87,-7.36,;2.62,-8.26,;2.62,-9.8,;-5.45,-11.63,;-6.98,-11.47,;-9.56,-12.61,)| | ||
| Structure | 
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