Reaction Details |
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Target | Renin |
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Ligand | BDBM408717 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2200337 (CHEMBL5112853) |
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IC50 | >10000±n/a nM |
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Citation | Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Stocks, MJ; Smith, AJ; Rushbrooke, LJ; Pethen, SJ; Roe, MB; Clark, DE; McEwan, PA; Hampton, SL Sebetralstat (KVD900): A Potent and Selective Small Molecule Plasma Kallikrein Inhibitor Featuring a Novel P1 Group as a Potential Oral On-Demand Treatment for Hereditary Angioedema. J Med Chem65:13629-13644 (2022) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Renin |
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Name: | Renin |
Synonyms: | Angiotensinogenase | REN | RENI_HUMAN |
Type: | Enzyme |
Mol. Mass.: | 45058.99 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 406 |
Sequence: | MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEW
SQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRL
YTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEM
PALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGG
QIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISG
STSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKK
LCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
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BDBM408717 |
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n/a |
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Name | BDBM408717 |
Synonyms: | N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin- 1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide | US10364238, Example 41 | US10730874, Example 00397 | US11001578, Example 41 | US11084809, Example 41 | US11198691, Example 41 | US11352356, Table II.3 | US11584735, Example 41 of WO2016/083820 |
Type | Small organic molecule |
Emp. Form. | C26H26FN5O4 |
Mol. Mass. | 491.5141 |
SMILES | COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F |
Structure |
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