Reaction Details | |||
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Target | Renin | ||
Ligand | BDBM50259457 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_501175 (CHEMBL975288) | ||
IC50 | 0.3±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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BDBM50259457 | |||
n/a | |||
Name | BDBM50259457 | ||
Synonyms: | (1R,5S)-3-Acetyl-7-{4-[2-(2,6-dichloro-3,4-dimethyl-phenoxy)-ethoxy]-phenyl}-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxylic acid cyclopropyl-(2,3-dichloro-benzyl)-amide | CHEMBL506268 | ||
Type | Small organic molecule | ||
Emp. Form. | C36H37Cl4N3O4 | ||
Mol. Mass. | 717.509 | ||
SMILES | CC(=O)N1C[C@H]2CC(=C([C@@H](C1)N2)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1)c1ccc(OCCOc2c(Cl)cc(C)c(C)c2Cl)cc1 |r,wU:9.11,wD:5.12,c:7,TLB:27:7:11:3.10.4,1:3:11:8.7.6,THB:12:8:11:3.10.4,(14.25,-9.56,;12.89,-8.85,;12.82,-7.31,;11.58,-9.67,;11.04,-11.14,;9.33,-10.8,;9.78,-9.61,;9.2,-8.4,;7.95,-8.46,;8.66,-9.96,;10.47,-10.29,;8.13,-11.43,;6.41,-8.4,;5.69,-7.04,;5.59,-9.71,;4.05,-9.65,;3.23,-10.95,;3.96,-12.3,;3.15,-13.61,;1.6,-13.56,;.88,-12.2,;-.66,-12.14,;1.7,-10.89,;.98,-9.53,;6.31,-11.07,;6.26,-12.6,;7.62,-11.88,;9.9,-7.7,;11.44,-7.7,;12.21,-6.36,;11.43,-5.03,;12.2,-3.69,;13.74,-3.68,;14.5,-2.35,;16.04,-2.34,;16.8,-1,;18.35,-1.01,;19.12,-2.34,;19.12,.33,;18.34,1.65,;19.1,3,;16.79,1.64,;16.01,2.96,;16.04,.31,;14.5,.3,;9.88,-5.04,;9.12,-6.37,)| | ||
Structure |