Reaction Details |
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Target | Renin |
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Ligand | BDBM50427040 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_939881 (CHEMBL2327103) |
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IC50 | 25±n/a nM |
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Citation | Ostermann, N; Ruedisser, S; Ehrhardt, C; Breitenstein, W; Marzinzik, A; Jacoby, E; Vangrevelinghe, E; Ottl, J; Klumpp, M; Hartwieg, JC; Cumin, F; Hassiepen, U; Trappe, J; Sedrani, R; Geisse, S; Gerhartz, B; Richert, P; Francotte, E; Wagner, T; Krömer, M; Kosaka, T; Webb, RL; Rigel, DF; Maibaum, J; Baeschlin, DK A novel class of oral direct renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore. J Med Chem56:2196-206 (2013) [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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BDBM50427040 |
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n/a |
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Name | BDBM50427040 |
Synonyms: | CHEMBL2322207 |
Type | Small organic molecule |
Emp. Form. | C32H39N3O5S |
Mol. Mass. | 577.734 |
SMILES | COCCCCC1(CNC(=O)[C@@H]2CNC[C@@H](C2)NS(=O)(=O)c2ccc(C)cc2)c2ccccc2Oc2ccccc12 |r| |
Structure |
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