| Reaction Details |
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 | Report a problem with these data |
| Target | Renin |
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| Ligand | BDBM50345193 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_751249 (CHEMBL1787617) |
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| IC50 | 0.9±n/a nM |
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| Citation |  Thangapandian, S; John, S; Sakkiah, S; Lee, KW Potential virtual lead identification in the discovery of renin inhibitors: application of ligand and structure-based pharmacophore modeling approaches. Eur J Med Chem46:2469-76 (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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| BDBM50345193 |
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| n/a |
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| Name | BDBM50345193 |
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| Synonyms: | CHEMBL1783186 | N-(4-amino-8-(butylamino)-5-hydroxy-2-isopropyl-7-methyl-8-oxooctyl)-3-(3-methoxypropoxy)benzamide |
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| Type | Small organic molecule |
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| Emp. Form. | C27H47N3O5 |
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| Mol. Mass. | 493.6792 |
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| SMILES | CCCCNC(=O)C(C)CC(O)C(N)CC(CNC(=O)c1cccc(OCCCOC)c1)C(C)C |
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| Structure | 
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