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Target
Muscarinic acetylcholine receptor M1
Ligand
BDBM50135205
Substrate
n/a
Meas. Tech.
ChEMBL_1545717 (CHEMBL3748814)
EC50
248±n/a nM
Citation
 Davoren, JE; O'Neil, SV; Anderson, DP; Brodney, MA; Chenard, L; Dlugolenski, K; Edgerton, JR; Green, M; Garnsey, M; Grimwood, S; Harris, AR; Kauffman, GW; LaChapelle, E; Lazzaro, JT; Lee, CW; Lotarski, SM; Nason, DM; Obach, RS; Reinhart, V; Salomon-Ferrer, R; Steyn, SJ; Webb, D; Yan, J; Zhang, L Design and optimization of selective azaindole amide M1 positive allosteric modulators. Bioorg Med Chem Lett 26:650-5 (2016) [PubMed]  Article 
Target
Name:
Muscarinic acetylcholine receptor M1
Synonyms:
ACM1_HUMAN | CHRM1 | Cholinergic receptor, muscarinic 1 | Cholinergic, muscarinic M1
Type:
Protein
Mol. Mass.:
51442.54
Organism:
Homo sapiens (Human)
Description:
P11229
Residue:
460
Sequence:
MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPETPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPRSSPNTVKRPTKKGRDRAGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTINPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
  
Inhibitor
Name:
BDBM50135205
Synonyms:
CHEMBL3745855
Type:
Small organic molecule
Emp. Form.:
C25H27N5O2
Mol. Mass.:
429.5142
SMILES:
OC[C@H]1CC[C@@H](CC1)NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12 |r,wU:5.8,wD:2.1,(6.87,9.12,;5.66,8.87,;5.18,7.41,;3.68,7.09,;3.2,5.62,;4.23,4.48,;5.73,4.8,;6.21,6.26,;3.75,3.01,;2.24,2.7,;1.42,3.61,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.77,-3.63,;6.28,-2.16,;4.77,-1.86,;8.28,-3.93,;8.9,-5.33,;10.43,-5.16,;10.73,-3.65,;9.39,-2.89,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,)|
Structure:
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