Reaction Details | |||
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Target | Acetylcholinesterase | ||
Ligand | BDBM50135156 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEBML_29848 | ||
IC50 | 61660±n/a nM | ||
Citation | Zaheer-ul-Haq, na; Wellenzohn, B; Tonmunphean, S; Khalid, A; Choudhary, MI; Rode, BM 3D-QSAR studies on natural acetylcholinesterase inhibitors of Sarcococca saligna by comparative molecular field analysis (CoMFA). Bioorg Med Chem Lett13:4375-80 (2003) [PubMed] | ||
More Info.: | Get all data from this article, Assay Method | ||
Acetylcholinesterase | |||
Name: | Acetylcholinesterase | ||
Synonyms: | ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE) | ||
Type: | Enzyme | ||
Mol. Mass.: | 67792.70 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P22303 | ||
Residue: | 614 | ||
Sequence: |
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BDBM50135156 | |||
n/a | |||
Name | BDBM50135156 | ||
Synonyms: | Acetic acid (2S,3S,4R,5R,8R,9S,10R,13R,17S)-17-((S)-1-dimethylamino-ethyl)-2-hydroxy-10,13-dimethyl-3-((E)-2-methyl-but-2-enoylamino)-2,3,4,5,6,7,8,9,10,11,12,13,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl ester | CHEMBL343054 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H48N2O4 | ||
Mol. Mass. | 500.7131 | ||
SMILES | C\C=C(/C)C(=O)N[C@H]1[C@@H](O)C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC=C4[C@@H]3CC[C@H]2[C@H]1OC(C)=O)[C@H](C)N(C)C |c:20| | ||
Structure |