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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Myeloperoxidase | ||
| Ligand | BDBM434867 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2103813 (CHEMBL4812316) | ||
| IC50 | 7.0±n/a nM | ||
| Citation |  Hu, CH; Neissel Valente, MW; Halpern, OS; Jusuf, S; Khan, JA; Locke, GA; Duke, GJ; Liu, X; Duclos, FJ; Wexler, RR; Kick, EK; Smallheer, JM Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO). Bioorg Med Chem Lett42:0 (2021) [PubMed] Article | ||
| 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: |
| ||
| BDBM434867 | |||
| n/a | |||
| Name | BDBM434867 | ||
| Synonyms: | 7-[(17S)-18-Phenyl-16-oxa-2,8,9-triazapentacyclo[16.2.2.11,17.16,9.111,15]pentacosa-6(25),7,11 | US10577383, Example 27 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C32H34N8O | ||
| Mol. Mass. | 546.6654 | ||
| SMILES | Nc1cc(C2CCNC34CCC(CC3)([C@H](C4)Oc3cccc(Cn4cc2cn4)c3)c2ccccc2)c2nn[nH]c2n1 |r,wD:14.15,(-2.43,-8.47,;-1.1,-7.7,;-1.1,-6.16,;.24,-5.39,;.24,-3.85,;1.57,-3.08,;1.57,-1.54,;2.9,-.77,;2.9,.77,;4.24,1.54,;4.24,3.08,;2.9,3.85,;3.67,2.52,;2.13,2.1,;1.57,3.08,;1.57,1.54,;.28,3.46,;-1.26,3.46,;-2.35,4.55,;-3.84,4.15,;-4.24,2.66,;-3.15,1.57,;-3.55,.08,;-2.9,-1.31,;-1.38,-1.6,;-1.19,-3.13,;-2.59,-3.78,;-3.64,-2.66,;-1.66,1.97,;2.9,5.39,;1.57,6.16,;1.57,7.7,;2.9,8.47,;4.24,7.7,;4.24,6.16,;1.57,-6.16,;3.04,-5.68,;3.94,-6.93,;3.04,-8.18,;1.57,-7.7,;.24,-8.47,)| | ||
| Structure | 
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