Reaction Details | |||
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Target | Renin | ||
Ligand | BDBM50259449 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_501175 (CHEMBL975288) | ||
IC50 | 7±n/a nM | ||
Citation | Bezençon, O; Bur, D; Weller, T; Richard-Bildstein, S; Remen, L; Sifferlen, T; Corminboeuf, O; Grisostomi, C; Boss, C; Prade, L; Delahaye, S; Treiber, A; Strickner, P; Binkert, C; Hess, P; Steiner, B; Fischli, W Design and preparation of potent, nonpeptidic, bioavailable renin inhibitors. J Med Chem52:3689-702 (2009) [PubMed] Article | ||
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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BDBM50259449 | |||
n/a | |||
Name | BDBM50259449 | ||
Synonyms: | (1R,5S)-3-Acetyl-7-{4-[2-(4-chloro-phenoxy)-ethoxy]-phenyl}-3,9-diaza-bicyclo[3.3.1]non-6-ene-6-carboxylic acid cyclopropyl-(2,3-dichloro-benzyl)-amide | CHEMBL453778 | ||
Type | Small organic molecule | ||
Emp. Form. | C34H34Cl3N3O4 | ||
Mol. Mass. | 655.01 | ||
SMILES | CC(=O)N1C[C@H]2CC(=C([C@@H](C1)N2)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1)c1ccc(OCCOc2ccc(Cl)cc2)cc1 |r,wU:9.11,wD:5.12,c:7,(14.49,-10.58,;13.13,-9.87,;13.07,-8.33,;11.83,-10.69,;11.29,-12.16,;9.57,-11.82,;9.95,-10.38,;9.6,-9.5,;8.19,-9.48,;8.91,-10.98,;10.72,-11.32,;8.37,-12.45,;6.65,-9.42,;5.93,-8.06,;5.83,-10.73,;4.29,-10.67,;3.47,-11.98,;4.2,-13.32,;3.39,-14.63,;1.84,-14.58,;1.12,-13.22,;-.42,-13.16,;1.94,-11.91,;1.22,-10.55,;6.55,-12.09,;6.5,-13.62,;7.86,-12.9,;10.14,-8.72,;11.68,-8.72,;12.45,-7.38,;11.67,-6.05,;12.44,-4.71,;13.98,-4.7,;14.74,-3.37,;16.28,-3.36,;17.05,-2.02,;18.6,-2.02,;19.36,-.69,;18.58,.64,;19.35,1.97,;17.04,.62,;16.28,-.71,;10.13,-6.06,;9.37,-7.39,)| | ||
Structure |