Reaction Details |
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Target | Renin |
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Ligand | BDBM50280494 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_195763 |
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IC50 | 27000±n/a nM |
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Citation | Schirlin, D; Tarnus, C; Baltzer, S; Rémy, JM MDL 74147, a novel selective and soluble inhibitor of human renin. Synthesis, structure-activity relationship, species and protease selectivities. Bioorg Med Chem Lett2:651-654 (1992) 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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BDBM50280494 |
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n/a |
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Name | BDBM50280494 |
Synonyms: | CHEMBL545117 | N-[(S)-1-[(R)-1-((S)-4-Amino-1-cyclohexylmethyl-3,3-difluoro-2-oxo-butylcarbamoyl)-ethylcarbamoyl]-2-(4-methoxy-phenyl)-ethyl]-3-methyl-butyramide; hydrochloride |
Type | Small organic molecule |
Emp. Form. | C29H44F2N4O5 |
Mol. Mass. | 566.6803 |
SMILES | COc1ccc(C[C@H](NC(=O)CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC2CCCCC2)C(=O)C(F)(F)CN)cc1 |r| |
Structure |
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