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BDBM228860 US9333195, 114

SMILES: CC1(C(=O)O[C@H]2C[N+]3(C\C=C\c4ccccc4)CCC2CC3)c2ccccc2-c2ccccc12

InChI Key: InChIKey=KYFKPDYXHLIICQ-ZGQLEKGKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 228860   
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))		BDBM228860
PNG
(US9333195, 114)
Show SMILES CC1(C(=O)O[C@H]2C[N+]3(C\C=C\c4ccccc4)CCC2CC3)c2ccccc2-c2ccccc12 |wU:5.4,TLB:4:5:17.18:20.21,(4.72,.22,;3.81,-1.03,;5.15,-1.8,;5.15,-3.34,;6.48,-1.03,;7.81,-1.8,;9.03,-1.01,;8.94,-2.55,;10.38,-2.01,;11.57,-2.99,;13.02,-2.45,;14.21,-3.42,;15.65,-2.88,;16.84,-3.86,;16.59,-5.38,;15.14,-5.92,;13.95,-4.94,;7.04,-3.02,;6.16,-3.86,;7.74,-3.31,;8.9,-4.47,;10.14,-3.76,;3.19,-2.44,;3.81,-3.84,;2.91,-5.09,;1.37,-4.93,;.75,-3.52,;1.65,-2.28,;1.33,-.77,;;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,)|
Show InChI InChI=1S/C31H32NO2/c1-31(27-15-7-5-13-25(27)26-14-6-8-16-28(26)31)30(33)34-29-22-32(20-17-24(29)18-21-32)19-9-12-23-10-3-2-4-11-23/h2-16,24,29H,17-22H2,1H3/q+1/b12-9+/t24?,29-,32?/m0/s1
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US Patent
n/an/a 14n/an/an/an/an/an/a



ALMIRALL, S.A.

US Patent


Assay Description
The binding of [3H]-NMS to human muscarinic receptors was performed according to Waelbroek et al (1990) (1). Assays were carried out at 25° C. Membra...

US Patent US9333195 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SDB
More data for this
Ligand-Target Pair