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SMILES: O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=LEZAADQEXXUNDF-QZLZOZNSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 162365   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM162365
PNG
(US9687478, 1)
Show SMILES O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1ccccc1)c1ccccc1 |wU:3.2,(1.33,1.54,;1.33,3.08,;,3.85,;-1.33,3.08,;-1.33,1.54,;-2.67,.77,;-2.67,-.77,;-4,-1.54,;-4,-3.08,;-5.33,-3.85,;-5.33,-5.39,;-4,-6.16,;-4,-7.7,;-5.33,-8.47,;-6.67,-7.7,;-6.67,-6.16,;-3.3,1.73,;-3.3,2.89,;-2.67,3.85,;-4,3.08,;-4,1.54,;2.67,3.85,;2.67,5.39,;1.33,6.16,;1.33,7.7,;2.67,8.47,;4,7.7,;4,6.16,;4,3.08,;5.33,3.85,;6.67,3.08,;6.67,1.54,;5.33,.77,;4,1.54,)|
Show InChI InChI=1S/C30H34NO3/c32-30(29(25-11-4-1-5-12-25)26-13-6-2-7-14-26)34-28-23-31(20-17-24(28)18-21-31)19-10-22-33-27-15-8-3-9-16-27/h1-9,11-16,24,28-29H,10,17-23H2/q+1/t24?,28-,31?/m0/s1
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PC cid
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US Patent
n/an/a 31n/an/an/an/an/a25



ALMIRALL, S.A.

US Patent


Assay Description
Assays were carried out at 25° C. Membrane preparations from stably transfected chinese hamster ovary-K1 cells (CHO) expressing the genes for the...

US Patent US9687478 (2017)


BindingDB Entry DOI: 10.7270/Q2RV0KV9
More data for this
Ligand-Target Pair