| Reaction Details |
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 | Report a problem with these data |
| Target | Renin |
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| Ligand | BDBM50340406 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_741046 (CHEMBL1764274) |
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| pH | 7.4±n/a |
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| IC50 | 0.028±n/a nM |
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| Comments | extracted |
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| Citation |  Aspiotis, R; Chen, A; Cauchon, E; Dubé, D; Falgueyret, JP; Gagné, S; Gallant, M; Grimm, EL; Houle, R; Juteau, H; Lacombe, P; Laliberté, S; Lévesque, JF; MacDonald, D; McKay, D; Percival, MD; Roy, P; Soisson, SM; Wu, T The discovery and synthesis of potent zwitterionic inhibitors of renin. Bioorg Med Chem Lett21:2430-6 (2011) [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 |
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| Synonyms: | Angiotensinogenase | REN | RENI_HUMAN |
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| Type: | Enzyme |
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| Mol. Mass.: | 45058.99 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 406 |
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| Sequence: | MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEW
SQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRL
YTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEM
PALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGG
QIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISG
STSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKK
LCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
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| BDBM50340406 |
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| n/a |
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| Name | BDBM50340406 |
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| Synonyms: | (3R,4S)-N-(3-((1-(cyanomethyl)cyclopropyl)methoxy)-5-(3-methoxypropyl)benzyl)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)piperidine-3-carboxamide | CHEMBL1761518 |
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| Type | Small organic molecule |
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| Emp. Form. | C41H49Cl2N3O5 |
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| Mol. Mass. | 734.751 |
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| SMILES | COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCC2(CC#N)CC2)c1 |r| |
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| Structure | 
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