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Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Renin | ||
| Ligand | BDBM50008522 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_195764 (CHEMBL803430) | ||
| IC50 | 12±n/a nM | ||
| Citation |  Kleemann, HW; Heitsch, H; Henning, R; Kramer, W; Kocher, W; Lerch, U; Linz, W; Nickel, WU; Ruppert, D; Urbach, H Renin inhibitory pentols showing improved enteral bioavailability. J Med Chem35:559-67 (1992) [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: |
| ||
| BDBM50008522 | |||
| n/a | |||
| Name | BDBM50008522 | ||
| Synonyms: | 4-Amino-cyclohexanecarboxylic acid {1-[1-(1-cyclohexylmethyl-2,3,4,5,6-pentahydroxy-hexylcarbamoyl)-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-amide | CHEMBL427931 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C35H54N6O8 | ||
| Mol. Mass. | 686.8387 | ||
| SMILES | N[C@H]1CC[C@H](CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |wU:31.33,10.10,4.7,41.45,43.47,1.0,wD:39.43,45.49,(13.3,-11.59,;11.83,-11.13,;10.7,-12.18,;9.21,-11.73,;8.89,-10.22,;10.03,-9.18,;11.48,-9.64,;7.42,-9.77,;6.25,-10.76,;7.15,-8.26,;5.7,-7.72,;4.52,-8.72,;3.05,-8.27,;2.7,-6.76,;1.22,-6.32,;.1,-7.38,;.45,-8.88,;1.92,-9.33,;5.43,-6.22,;6.61,-5.22,;3.98,-5.69,;3.98,-4.05,;2.74,-3.19,;1.5,-4.1,;1.5,-5.63,;.05,-6.13,;-.86,-4.92,;.03,-3.63,;5.49,-3.32,;5.44,-2.02,;6.95,-3.16,;8.28,-2.39,;8.28,-.85,;6.95,-.08,;5.59,-.85,;4.28,-.05,;4.28,1.49,;5.63,2.24,;6.95,1.47,;9.61,-3.16,;9.61,-4.7,;10.94,-2.39,;10.94,-.85,;12.28,-3.16,;12.28,-4.7,;13.62,-2.39,;13.62,-.85,;14.96,-3.16,;16.3,-2.39,)| | ||
| Structure | 
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