| Reaction Details |
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 | Report a problem with these data |
| Target | Renin |
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| Ligand | BDBM18038 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_987020 (CHEMBL2439340) |
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| IC50 | 58±n/a nM |
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| Citation |  Shultz, MD The thermodynamic basis for the use of lipophilic efficiency (LipE) in enthalpic optimizations. Bioorg Med Chem Lett23:5992-6000 (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 |
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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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| BDBM18038 |
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| n/a |
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| Name | BDBM18038 |
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| Synonyms: | 6-ethyl-5-[1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine | diaminopyrimidine renin inhibitor compound, 3 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H31N5O |
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| Mol. Mass. | 417.5465 |
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| SMILES | CCc1nc(N)nc(N)c1-c1ccc2CCC(N(CCCOC)c2c1)c1ccccc1 |
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| Structure | 
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