Reaction Details | |||
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Report a problem with these data | |||
Target | Renin | ||
Ligand | BDBM98689 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | FRET Assay | ||
IC50 | 9.0±0.0 nM | ||
Citation | Yokokawa, F; Ehara, T; Kawakami, S; Irie, O; Suzuki, M; Hitomi, Y; Toyao, A Organic compounds US Patent US8497286 Publication Date 7/30/2013 | ||
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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BDBM98689 | |||
n/a | |||
Name | BDBM98689 | ||
Synonyms: | US8497286, 165 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H42N4O5 | ||
Mol. Mass. | 502.6462 | ||
SMILES | COC[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C |r,wU:16.20,12.12,6.9,17.19,wD:3.2,(11.34,-2.21,;10,-1.44,;8.67,-2.21,;7.34,-1.44,;7.34,.1,;6,.87,;4.67,.1,;4.67,-1.44,;6,-2.21,;3.33,.87,;2,.1,;2,-1.44,;.67,.87,;.67,2.41,;-.67,3.18,;-2,2.41,;-2,.87,;-.67,.1,;-.67,-1.44,;-3.33,.1,;-3.33,-1.44,;-4.67,.87,;-4.67,2.41,;-3.9,3.75,;-5.44,3.75,;-6,.1,;-7.34,.87,;-8.67,.1,;-10,.87,;-10,2.41,;-8.67,-1.44,;-7.34,-2.21,;-6,-1.44,;-10,-2.21,;-11.34,-1.44,;-10,-3.75,)| | ||
Structure |