| Reaction Details |
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 | Report a problem with these data |
| Target | 5-hydroxytryptamine receptor 3A |
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| Ligand | BDBM50211097 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1636028 (CHEMBL3878926) |
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| IC50 | 230±n/a nM |
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| Citation |  Cook, J; Zusi, FC; McDonald, IM; King, D; Hill, MD; Iwuagwu, C; Mate, RA; Fang, H; Zhao, R; Wang, B; Cutrone, J; Ma, B; Gao, Q; Knox, RJ; Matchett, M; Gallagher, L; Ferrante, M; Post-Munson, D; Molski, T; Easton, A; Miller, R; Jones, K; Digavalli, S; Healy, F; Lentz, K; Benitex, Y; Clarke, W; Natale, J; Siuciak, JA; Lodge, N; Zaczek, R; Denton, R; Morgan, D; Bristow, LJ; Macor, JE; Olson, RE Design and Synthesis of a New Series of 4-Heteroarylamino-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octanes asa7 Nicotinic Receptor Agonists. 1. Development of Pharmacophore and Early Structure-Activity Relationship. J Med Chem59:11171-11181 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| 5-hydroxytryptamine receptor 3A |
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| Name: | 5-hydroxytryptamine receptor 3A |
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| Synonyms: | 5-HT-3 | 5-HT3 | 5-HT3A | 5-HT3R | 5-hydroxytryptamine receptor 3 (5-HT3) | 5-hydroxytryptamine receptor 3A (5-HT3a) | 5-hydroxytryptamine receptor 3A (5HT3A) | 5HT3A_HUMAN | 5HT3R | HTR3 | HTR3A | Serotonin 3 (5-HT3) receptor | Serotonin 3 receptor (5HT3) | Serotonin receptor 3A | Serotonin-gated ion channel receptor | Serotonin-gated ion channel receptor 3 |
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| Type: | Protein |
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| Mol. Mass.: | 55283.27 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P46098 |
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| Residue: | 478 |
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| Sequence: | MLLWVQQALLALLLPTLLAQGEARRSRNTTRPALLRLSDYLLTNYRKGVRPVRDWRKPTT
VSIDVIVYAILNVDEKNQVLTTYIWYRQYWTDEFLQWNPEDFDNITKLSIPTDSIWVPDI
LINEFVDVGKSPNIPYVYIRHQGEVQNYKPLQVVTACSLDIYNFPFDVQNCSLTFTSWLH
TIQDINISLWRLPEKVKSDRSVFMNQGEWELLGVLPYFREFSMESSNYYAEMKFYVVIRR
RPLFYVVSLLLPSIFLMVMDIVGFYLPPNSGERVSFKITLLLGYSVFLIIVSDTLPATAI
GTPLIGVYFVVCMALLVISLAETIFIVRLVHKQDLQQPVPAWLRHLVLERIAWLLCLREQ
STSQRPPATSQATKTDDCSAMGNHCSHMGGPQDFEKSPRDRCSPPPPPREASLAVCGLLQ
ELSSIRQFLEKRDEIREVARDWLRVGSVLDKLLFHIYLLAVLAYSITLVMLWSIWQYA
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| BDBM50211097 |
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| n/a |
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| Name | BDBM50211097 |
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| Synonyms: | CHEMBL3973872 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H19N3O |
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| Mol. Mass. | 257.3309 |
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| SMILES | C1N=C(Nc2ccccc2)OC11CN2CCC1CC2 |t:1,THB:10:11:14.15:18.17,(7.22,-8.53,;8.06,-7.24,;7.09,-6.04,;7.48,-4.55,;8.97,-4.15,;10.05,-5.24,;11.54,-4.84,;11.93,-3.35,;10.83,-2.26,;9.35,-2.67,;5.65,-6.6,;5.73,-8.13,;6.04,-9.65,;4.54,-8.97,;2.88,-9.68,;2.67,-8.18,;4.27,-7.48,;4.34,-5.7,;4.82,-6.91,)| |
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| Structure | 
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