| Reaction Details |
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 | Report a problem with these data |
| Target | Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 |
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| Ligand | BDBM50229669 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_138771 (CHEMBL747399) |
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| IC50 | 2.8±n/a nM |
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| Citation |  Jenkins, SM; Wadsworth, HJ; Bromidge, S; Orlek, BS; Wyman, PA; Riley, GJ; Hawkins, J Substituent variation in azabicyclic triazole- and tetrazole-based muscarinic receptor ligands. J Med Chem35:2392-406 (1992) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 |
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| Name: | Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 |
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| Synonyms: | Muscarinic acetylcholine receptor |
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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 1821274 |
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| Components: | This complex has 5 components. |
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| Component 1 |
| Name: | Muscarinic acetylcholine receptor M1 |
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| Synonyms: | ACM1_RAT | Cholinergic, muscarinic M1 | Chrm-1 | Chrm1 | cholinergic receptor, muscarinic 1 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 51390.46 |
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| Organism: | RAT |
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| Description: | P08482 |
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| Residue: | 460 |
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| Sequence: | MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVN
NYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLIS
FDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYI
QFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSS
SERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEV
VIKMPMVDSEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKE
KKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYAL
CNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
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| Component 2 |
| Name: | Muscarinic acetylcholine receptor M3 |
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| Synonyms: | ACM3_RAT | Cholinergic, muscarinic M3 | Chrm-3 | Chrm3 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 66086.66 |
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| Organism: | RAT |
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| Description: | Cholinergic, muscarinic M3 CHRM3 RAT::P08483 |
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| Residue: | 589 |
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| Sequence: | MTLHSNSTTSPLFPNISSSWVHSPSEAGLPLGTVTQLGSYNISQETGNFSSNDTSSDPLG
GHTIWQVVFIAFLTGFLALVTIIGNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVIS
MNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRT
TKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFY
MPVTIMTILYWRIYKETEKRTKELAGLQASGTEAEAENFVHPTGSSRSCSSYELQQQGVK
RSSRRKYGRCHFWFTTKSWKPSAEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSET
RAIYSIVLKLPGHSSILNSTKLPSSDNLQVSNEDLGTVDVERNAHKLQAQKSMGDGDNCQ
KDFTKLPIQLESAVDTGKTSDTNSSADKTTATLPLSFKEATLAKRFALKTRSQITKRKRM
SLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNP
VCYALCNKTFRTTFKTLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL
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| Component 3 |
| Name: | Muscarinic acetylcholine receptor M4 |
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| Synonyms: | ACM4_RAT | Cholinergic, muscarinic M4 | Chrm-4 | Chrm4 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 52841.70 |
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| Organism: | RAT |
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| Description: | Cholinergic, muscarinic M4 CHRM4 RAT::P08485 |
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| Residue: | 477 |
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| Sequence: | MNFTPVNGSSANQSVRLVTAAHNHLETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQ
LQTVNNYFLFSLGCADLIIGAFSMNLYTLYIIKGYWPLGAVVCDLWLALDYVVSNASVMN
LLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPD
NQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTL
AFLKSPLMKPSIKKPPPGGASREELRNGKLEEAPPPALPPPPRPVPDKDTSNESSSGSAT
QNTKERPPTELSTAEATTPALPAPTLQPRTLNPASKWSKIQIVTKQTGNECVTAIEIVPA
TPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLV
NTFCQSCIPERVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
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| Component 4 |
| Name: | Muscarinic acetylcholine receptor M5 |
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| Synonyms: | ACM5_RAT | Cholinergic, muscarinic M5 | Chrm-5 | Chrm5 | Muscarinic acetylcholine receptor | Muscarinic acetylcholine receptor M5 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 60161.80 |
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| Organism: | RAT |
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| Description: | Cholinergic, muscarinic M5 CHRM5 RAT::P08911 |
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| Residue: | 531 |
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| Sequence: | MEGESYNESTVNGTPVNHQALERHGLWEVITIAVVTAVVSLMTIVGNVLVMISFKVNSQL
KTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWVLGSLACDLWLALDYVASNASVMNL
LVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLVSFILWAPAILCWQYLVGKRTVPPD
ECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTKDLADLQGSDSVAEAKK
REPAQRTLLRSFFSCPRPSLAQRERNQASWSSSRRSTSTTGKTTQATDLSADWEKAEQVT
TCSSYPSSEDEAKPTTDPVFQMVYKSEAKESPGKESNTQETKETVVNTRTENSDYDTPKY
FLSPAAAHRLKSQKCVAYKFRLVVKADGTQETNNGCRKVKIMPCSFPVSKDPSTKGPDPN
LSHQMTKRKRMVLVKERKAAQTLSAILLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLGY
WLCYVNSTINPICYALCNRTFRKTFKLLLLCRWKKKKVEEKLYWQGNSKLP
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| Component 5 |
| Name: | Muscarinic acetylcholine receptor M2 |
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| Synonyms: | ACM2_RAT | Cholinergic, muscarinic M2 | Chrm-2 | Chrm2 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 51555.53 |
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| Organism: | RAT |
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| Description: | P10980 |
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| Residue: | 466 |
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| Sequence: | MNNSTNSSNNGLAITSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNY
FLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFD
RYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQF
FSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKEKKEPVANQDPVSPSLVQGRI
VKPNNNNMPGGDGGLEHNKIQNGKAPRDGVTENCVQGEEKESSNDSTSVSAVASNMRDDE
ITQDENTVSTSLGHSRDDNSKQTCIKIVTKAQKGDVCTPTSTTVELVGSSGQNGDEKQNI
VARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNT
VWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
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| BDBM50229669 |
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| n/a |
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| Name | BDBM50229669 |
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| Synonyms: | CHEMBL309432 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H23N5O |
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| Mol. Mass. | 361.4402 |
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| SMILES | OC(c1nnn(n1)C1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(9.08,-4.44,;7.54,-4.44,;6.01,-4.28,;5.24,-2.95,;3.73,-3.27,;3.57,-4.81,;4.97,-5.43,;2.22,-5.58,;2.22,-7.12,;.9,-7.89,;-.44,-7.12,;-.44,-5.58,;.9,-4.81,;1.58,-6.16,;.11,-6.56,;8.45,-3.21,;7.81,-1.81,;8.71,-.56,;10.25,-.72,;10.88,-2.13,;9.98,-3.37,;8.16,-5.85,;7.26,-7.1,;7.87,-8.5,;9.41,-8.66,;10.31,-7.41,;9.69,-6.01,)| |
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| Structure | 
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