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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Neuronal acetylcholine receptor subunit alpha-3/beta-4 | ||
| Ligand | BDBM50149053 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_39943 (CHEMBL653226) | ||
| IC50 | 11400±n/a nM | ||
| Citation |  Bergmeier, SC; Ismail, KA; Arason, KM; McKay, S; Bryant, DL; McKay, DB Structure activity studies of ring E analogues of methyllycaconitine. Part 2: Synthesis of antagonists to the alpha3beta4* nicotinic acetylcholine receptors through modifications to the ester. Bioorg Med Chem Lett14:3739-42 (2004) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Neuronal acetylcholine receptor subunit alpha-3/beta-4 | |||
| Name: | Neuronal acetylcholine receptor subunit alpha-3/beta-4 | ||
| Synonyms: | Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit | Neuronal acetylcholine receptor; alpha3/beta4 | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | ASSAY_ID of ChEMBL is 1970247 | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| Name: | Neuronal acetylcholine receptor subunit beta-4 | ||
| Synonyms: | ACHB4_HUMAN | CHRNB4 | Cholinergic, Nicotinic Alpha6Beta3Beta4Alpha5 | Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 | ||
| Type: | Enzyme Catalytic Domain | ||
| Mol. Mass.: | 56388.51 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Cholinergic, Nicotinic Alpha6Beta3Beta4Alpha5 0 HUMAN::P30926 | ||
| Residue: | 498 | ||
| Sequence: |
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| Component 2 | |||
| Name: | Neuronal acetylcholine receptor subunit alpha-3 | ||
| Synonyms: | ACHA3_HUMAN | CHRNA3 | Cholinergic, Nicotinic Alpha3Beta2 | Cholinergic, Nicotinic Alpha3Beta4 | Cholinergic, Nicotinic Alpha3Beta4x | Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4 | NACHRA3 | Neuronal acetylcholine receptor protein alpha-3 subunit | Neuronal acetylcholine receptor subunit alpha-3 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 | nicotinic central | ||
| Type: | Enzyme Catalytic Domain | ||
| Mol. Mass.: | 57479.03 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Cholinergic, Nicotinic Alpha3Beta2 0 HUMAN::P32297 | ||
| Residue: | 505 | ||
| Sequence: |
| ||
| BDBM50149053 | |||
| n/a | |||
| Name | BDBM50149053 | ||
| Synonyms: | 2-(3-Methyl-2,5-dioxo-pyrrolidin-1-yl)-benzoic acid 1-phenethyl-piperidin-3-ylmethyl ester | CHEMBL305810 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H30N2O4 | ||
| Mol. Mass. | 434.5274 | ||
| SMILES | Cc1cc(O)n(c1O)-c1ccccc1C(=O)OCC1CCCN(CCc2ccccc2)C1 |(7.75,1.44,;6.86,.19,;5.32,.18,;4.84,-1.28,;3.38,-1.76,;6.1,-2.18,;7.33,-1.27,;8.82,-.87,;6.1,-3.72,;4.77,-4.49,;4.77,-6.03,;6.1,-6.8,;7.44,-6.03,;7.44,-4.49,;8.77,-3.71,;8.76,-2.17,;10.11,-4.46,;11.44,-3.69,;12.77,-4.46,;14.1,-3.69,;15.43,-4.46,;15.43,-6,;14.1,-6.77,;14.1,-8.29,;12.77,-9.08,;12.77,-10.62,;14.1,-11.37,;14.1,-12.91,;12.77,-13.68,;11.43,-12.91,;11.43,-11.37,;12.77,-6,)| | ||
| Structure | 
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