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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cholinesterase | ||
| Ligand | BDBM50154654 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_745141 (CHEMBL1772320) | ||
| IC50 | 330±n/a nM | ||
| Citation |  Conejo-García, A; Pisani, L; Núñez, Mdel C; Catto, M; Nicolotti, O; Leonetti, F; Campos, JM; Gallo, MA; Espinosa, A; Carotti, A Homodimeric bis-quaternary heterocyclic ammonium salts as potent acetyl- and butyrylcholinesterase inhibitors: a systematic investigation of the influence of linker and cationic heads over affinity and selectivity. J Med Chem54:2627-45 (2011) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Cholinesterase | |||
| Name: | Cholinesterase | ||
| Synonyms: | Acylcholine acylhydrolase | BCHE | Butyrylcholine esterase (BChE) | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | CHE1 | CHLE_HUMAN | Choline esterase II | Cholinesterases | Cholinesterases; ACHE & BCHE | Pseudocholinesterase | ||
| Type: | Homotetramer | ||
| Mol. Mass.: | 68422.27 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P06276 | ||
| Residue: | 602 | ||
| Sequence: |
| ||
| BDBM50154654 | |||
| n/a | |||
| Name | BDBM50154654 | ||
| Synonyms: | 4-hexahydro-1-pyridinyl-1-{3-[3-(4-hexahydro-1-pyridinyl-1-pyridiniumylmethyl)phenyl]benzyl}pyridinium; bromide | CHEMBL187404 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H40N4 | ||
| Mol. Mass. | 504.7071 | ||
| SMILES | C(c1cccc(c1)-c1cccc(Cn2ccc(cc2)=[N+]2CCCCC2)c1)n1ccc(cc1)=[N+]1CCCCC1 |(-4.03,.12,;-3.24,-1.22,;-4.01,-2.54,;-3.24,-3.86,;-1.7,-3.86,;-.93,-2.52,;-1.7,-1.2,;.61,-2.52,;1.36,-3.86,;2.88,-3.86,;3.66,-2.52,;2.88,-1.19,;3.66,.14,;5.19,.14,;5.96,-1.19,;7.5,-1.18,;8.24,.17,;7.48,1.49,;5.93,1.47,;9.78,.17,;10.56,-1.17,;12.08,-1.15,;12.84,.18,;12.07,1.49,;10.53,1.49,;1.36,-1.2,;-5.56,.12,;-6.91,-.61,;-8.23,.23,;-8.18,1.75,;-6.8,2.47,;-5.49,1.63,;-9.47,2.56,;-9.4,4.11,;-10.69,4.92,;-12.06,4.21,;-12.11,2.69,;-10.8,1.83,)| | ||
| Structure | 
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