Brief Information of the Compound and Protein
Compound Name
1-N,3-N-bis[2-[3-[1-[4-[1-[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]piperidin-4-yl]butyl]imidazol-4-yl]propanoylamino]ethyl]-5-[(propanoylamino)methyl]benzene-1,3-dicarboxamide
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PubChem ID
CID: 137630050
Canonical SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]CC([3H])C(=O)NCc1cc(cc(c1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
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Compound Formula C84H95F12N15O17
Compound Structure
Protein Name
Muscarinic acetylcholine receptor M2
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Monoamine receptor
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Acetylcholine receptor
Uniprot ID
P08172
Gene Name
CHRM2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000845 CHO-K9 Cricetulus griseus (Chinese hamster)  2
1
Ki = 0.3548 nM
   TI
   LI
   LO
   TS
2
Ki = 0.5248 nM
   TI
   LI
   LO
   TS