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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Myeloperoxidase | ||
| Ligand | BDBM434843 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | MPO Peroxidation Assay (Amplex Red Assay) | ||
| IC50 | 550±n/a nM | ||
| Citation |  Smallheer, JM; Kick, EK; Valente, MN; Hu, CH; Halpern, OS; Jusuf, S Macrocyclic inhibitors of myeloperoxidase US Patent US10577383 Publication Date 3/3/2020 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Myeloperoxidase | |||
| Name: | Myeloperoxidase | ||
| Synonyms: | 84 kDa myeloperoxidase | 89 kDa myeloperoxidase | MPO | Mpo protein | Myeloperoxidase | Myeloperoxidase (MPO) | Myeloperoxidase heavy chain | Myeloperoxidase light chain | PERM_HUMAN | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 83888.32 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P05164 | ||
| Residue: | 745 | ||
| Sequence: |
| ||
| BDBM434843 | |||
| n/a | |||
| Name | BDBM434843 | ||
| Synonyms: | 7-{3-Oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110,13]tetracosa-4,6,8(24),11,13 | US10577383, Example 18 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H30N8O | ||
| Mol. Mass. | 458.5587 | ||
| SMILES | Nc1cc(C2CCNC3CCC(CC3)COc3cccc(Cn4cc2cn4)c3)c2nn[nH]c2n1 |(-4.53,-6.28,;-3.2,-5.51,;-3.2,-3.97,;-1.86,-3.2,;-1.86,-1.66,;-.53,-.89,;.8,-1.66,;2.14,-.89,;5.57,1.94,;4.09,2.33,;2.6,1.94,;1.83,3.28,;3.31,2.89,;4.8,3.28,;.49,2.51,;.09,3.99,;-1.39,4.39,;-1.79,5.88,;-3.28,6.28,;-4.37,5.19,;-3.97,3.7,;-5.06,2.61,;-4.66,1.13,;-3.2,.65,;-3.2,-.89,;-4.66,-1.37,;-5.57,-.12,;-2.48,3.3,;-.53,-3.97,;.94,-3.49,;1.84,-4.74,;.94,-5.99,;-.53,-5.51,;-1.86,-6.28,)| | ||
| Structure | 
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