| Reaction Details |
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 | Report a problem with these data |
| Target | Neuronal acetylcholine receptor subunit beta-2/beta-4 |
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| Ligand | BDBM50270371 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1708058 (CHEMBL4059291) |
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| IC50 | 5700±n/a nM |
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| Citation |  Crestey, F; Jensen, AA; Soerensen, C; Magnus, CB; Andreasen, JT; Peters, GHJ; Kristensen, JL Dual Nicotinic Acetylcholine Receptor ?4?2 Antagonists/?7 Agonists: Synthesis, Docking Studies, and Pharmacological Evaluation of Tetrahydroisoquinolines and Tetrahydroisoquinolinium Salts. J Med Chem61:1719-1729 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Neuronal acetylcholine receptor subunit beta-2/beta-4 |
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| Name: | Neuronal acetylcholine receptor subunit beta-2/beta-4 |
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| Synonyms: | Nicotinic acetylcholine receptor alpha-4/beta-2 |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 1335312 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Neuronal acetylcholine receptor subunit beta-4 |
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| Synonyms: | ACHB4_MOUSE | Acrb4 | Chrnb4 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 55814.93 |
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| Organism: | Mus musculus |
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| Description: | ChEMBL_108396 |
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| Residue: | 495 |
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| Sequence: | MRGTPLLLVSLFALLQPGDCRLANAEEKLMDDLLNKTRYNNLIRPATSSSQLISIRLELS
LSQLISVNEREQIMTTSIWLKQEWTDYRLAWNSSCYEGVNILRIPAKRVWLPDIVLYNNA
DGTYEVSVYTNVIVRSNGSIQWLPPAIYKSACKIEVKHFPFDQQNCTLKFRSWTYDHTEI
DMVLKSPTAIMDDFTPSGEWDIVALPGRRTVNPQDPSYVDVTYDFIIKRKPLFYTINLII
PCVLITSLAILVFYLPSDCGEKMTLCISVLLALTFFLLLISKIVPPTSLDIPLIGKYLLF
TMVLVTFSIVTTVCVLNVHHRSPSTHTMASWVKECFLHKLPTFLFMKRPGLEVSPARVPH
SSQLHLTTAEATSTSALGPSSPSNLYGNSMYFVNPVPATPKSAVSSHTAGLPRDARLRSS
GRFRQDLQEALEGVSFIAQHLESDDRDQSVIEDWKFVAMVVDRLFLWVFVIVCILGTMGL
FLPPLFQIHAPSKGL
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| Component 2 |
| Name: | Neuronal acetylcholine receptor subunit beta-2 |
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| Synonyms: | ACHB2_MOUSE | Chrnb2 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 57114.19 |
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| Organism: | Mus musculus |
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| Description: | ChEMBL_108396 |
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| Residue: | 501 |
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| Sequence: | MARCSNSMALLFSFGLLWLCSGVLGTDTEERLVEHLLDPSRYNKLIRPATNGSELVTVQL
MVSLAQLISVHEREQIMTTNVWLTQEWEDYRLTWKPEDFDNMKKVRLPSKHIWLPDVVLY
NNADGMYEVSFYSNAVVSYDGSIFWLPPAIYKSACKIEVKHFPFDQQNCTMKFRSWTYDR
TEIDLVLKSDVASLDDFTPSGEWDIIALPGRRNENPDDSTYVDITYDFIIRRKPLFYTIN
LIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKY
LMFTMVLVTFSIVTSVCVLNVHHRSPTTHTMAPWVKVVFLEKLPTLLFLQQPRHRCARQR
LRLRRRQREREGAGTLFFREGPAADPCTCFVNPASMQGLAGAFQAEPAAAGLGRSMGPCS
CGLREAVDGVRFIADHMRSEDDDQSVREDWKYVAMVIDRLFLWIFVFVCVFGTIGMFLQP
LFQNYTATTFLHSDHSAPSSK
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| BDBM50270371 |
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| n/a |
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| Name | BDBM50270371 |
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| Synonyms: | CHEMBL4087153 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H24INO2 |
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| Mol. Mass. | 437.3145 |
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| SMILES | [I-].COc1cc2CC[N+]3(C)CCCC3c2cc1Oc1ccccc1 |
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| Structure | 
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