Reaction Details | |||
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Report a problem with these data | |||
Target | Renin | ||
Ligand | BDBM50045681 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_195976 (CHEMBL807682) | ||
IC50 | 0.470000±n/a nM | ||
Citation | Heitsch, H; Henning, R; Kleemann, HW; Linz, W; Nickel, WU; Ruppert, D; Urbach, H; Wagner, A Renin inhibitors containing a pyridyl amino diol derived C-terminus. J Med Chem36:2788-800 (1993) [PubMed] | ||
More Info.: | Get all data from this article, Assay Method | ||
Renin | |||
Name: | Renin | ||
Synonyms: | Angiotensinogenase | REN | RENI_HUMAN | ||
Type: | Enzyme | ||
Mol. Mass.: | 45058.99 | ||
Organism: | Homo sapiens (Human) | ||
Description: | n/a | ||
Residue: | 406 | ||
Sequence: |
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BDBM50045681 | |||
n/a | |||
Name | BDBM50045681 | ||
Synonyms: | 4-Amino-cyclohexanecarboxylic acid {1-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-pyridin-2-yl-pentylcarbamoyl)-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-amide | CHEMBL93763 | ||
Type | Small organic molecule | ||
Emp. Form. | C39H55N7O5 | ||
Mol. Mass. | 701.8979 | ||
SMILES | N[C@H]1CC[C@H](CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 |wU:31.33,10.10,4.7,1.0,41.45,wD:21.22,39.43,(-.88,-15.35,;.47,-14.59,;.5,-13.05,;1.83,-12.3,;3.16,-13.09,;3.13,-14.63,;1.8,-15.38,;4.49,-12.33,;4.51,-10.79,;5.82,-13.11,;7.17,-12.34,;7.17,-10.8,;6.4,-9.47,;4.84,-9.47,;4.07,-8.14,;4.84,-6.79,;6.38,-6.77,;7.17,-8.12,;8.5,-13.12,;8.48,-14.66,;9.83,-12.37,;11.16,-13.14,;11.14,-14.68,;12.47,-15.45,;13.89,-14.84,;14.92,-15.99,;14.12,-17.32,;12.63,-16.99,;12.49,-12.37,;12.51,-10.83,;13.82,-13.14,;15.17,-12.39,;15.17,-10.85,;15.94,-9.52,;17.48,-9.52,;18.25,-8.17,;17.48,-6.86,;15.94,-6.84,;15.17,-8.17,;16.5,-13.16,;16.48,-14.7,;17.83,-12.41,;17.83,-10.87,;19.16,-13.18,;20.49,-12.42,;21.82,-13.21,;21.82,-14.75,;23.15,-15.52,;24.48,-14.77,;24.48,-13.21,;23.15,-12.44,)| | ||
Structure |