| Reaction Details |
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 | Report a problem with these data |
| Target | Renin |
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| Ligand | BDBM50305452 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_603748 (CHEMBL1039373) |
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| IC50 | 0.82±n/a nM |
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| Citation |  Xu, Z; Cacatian, S; Yuan, J; Simpson, RD; Jia, L; Zhao, W; Tice, CM; Flaherty, PT; Guo, J; Ishchenko, A; Singh, SB; Wu, Z; McKeever, BM; Scott, BB; Bukhtiyarov, Y; Berbaum, J; Mason, J; Panemangalore, R; Cappiello, MG; Bentley, R; Doe, CP; Harrison, RK; McGeehan, GM; Dillard, LW; Baldwin, JJ; Claremon, DA Optimization of orally bioavailable alkyl amine renin inhibitors. Bioorg Med Chem Lett20:694-9 (2010) [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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| BDBM50305452 |
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| n/a |
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| Name | BDBM50305452 |
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| Synonyms: | CHEMBL591578 | methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-1-cyclohexyl-3-(methylamino)propan-2-ylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate |
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| Type | Small organic molecule |
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| Emp. Form. | C27H43ClN4O4 |
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| Mol. Mass. | 523.108 |
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| SMILES | CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1 |r| |
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| Structure | 
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