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Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50286789
Substrate
n/a
Meas. Tech.
ChEMBL_1729568 (CHEMBL4144846)
IC50
10000±n/a nM
Citation
 Jecs, E; Miller, EJ; Wilson, RJ; Nguyen, HH; Tahirovic, YA; Katzman, BM; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett 9:89-93 (2018) [PubMed]  Article 
Target
Name:
Muscarinic acetylcholine receptor M3
Synonyms:
ACM3_HUMAN | CHRM3 | Cholinergic, muscarinic M3 | Muscarinic Receptors M3 | Muscarinic receptor M3 | RecName: Full=Muscarinic acetylcholine receptor M3
Type:
Enzyme
Mol. Mass.:
66151.03
Organism:
Homo sapiens (Human)
Description:
P20309
Residue:
590
Sequence:
MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL
  
Inhibitor
Name:
BDBM50286789
Synonyms:
CHEMBL4167221
Type:
Small organic molecule
Emp. Form.:
C27H38N4
Mol. Mass.:
418.6174
SMILES:
NC[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1 |r,wU:9.8,2.1,wD:19.20,5.5,(39.55,-22.51,;38.22,-21.74,;36.88,-22.51,;36.88,-24.05,;35.55,-24.82,;34.21,-24.05,;32.88,-24.83,;31.55,-24.06,;30.22,-24.84,;30.22,-26.38,;31.56,-27.14,;31.56,-28.68,;32.88,-29.45,;32.88,-30.98,;31.55,-31.75,;30.23,-30.98,;30.23,-29.45,;28.9,-28.68,;28.89,-27.15,;31.54,-22.52,;32.88,-21.74,;32.87,-20.2,;31.53,-19.43,;30.21,-20.21,;28.87,-19.45,;27.54,-20.21,;27.54,-21.77,;28.87,-22.53,;30.21,-21.75,;34.2,-22.51,;35.54,-21.74,)|
Structure:
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