| Reaction Details |
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 | Report a problem with these data |
| Target | Renin |
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| Ligand | BDBM50350941 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_763606 (CHEMBL1820132) |
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| IC50 | 1437±n/a nM |
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| Citation |  Yuan, J; Simpson, RD; Zhao, W; Tice, CM; Xu, Z; Cacatian, S; Jia, L; Flaherty, PT; Guo, J; Ishchenko, A; Wu, Z; McKeever, BM; Scott, BB; Bukhtiyarov, Y; Berbaum, J; Panemangalore, R; Bentley, R; Doe, CP; Harrison, RK; McGeehan, GM; Singh, SB; Dillard, LW; Baldwin, JJ; Claremon, DA Biphenyl/diphenyl ether renin inhibitors: filling the S1 pocket of renin via the S3 pocket. Bioorg Med Chem Lett21:4836-43 (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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| BDBM50350941 |
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| n/a |
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| Name | BDBM50350941 |
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| Synonyms: | CHEMBL1818044 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H40N2O4 |
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| Mol. Mass. | 480.6389 |
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| SMILES | COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@@H]1CC[C@@H](N)C1)c1ccccc1Oc1ccccc1 |r| |
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| Structure | 
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