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SMILES: C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCc3ccc(F)cc3)CCC1CC2)c1ccccc1

InChI Key: InChIKey=FNYFFCOCVNTJCD-NNMXADRKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50419505   
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))		BDBM50419505
PNG
(CHEMBL1921904)
Show SMILES C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCc3ccc(F)cc3)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:1.8,11.11,(42.03,-22.57,;42.04,-21.03,;42.04,-19.49,;43.38,-18.72,;43.38,-17.18,;42.04,-16.4,;40.7,-17.18,;40.7,-18.73,;43.39,-21.81,;43.39,-23.35,;44.72,-21.02,;46.07,-21.8,;46.07,-23.34,;47.4,-24.1,;47.45,-25.64,;48.8,-26.37,;50.11,-25.56,;51.46,-26.3,;52.77,-25.49,;52.72,-23.95,;54.03,-23.14,;51.36,-23.22,;50.06,-24.03,;48.74,-23.34,;48.74,-21.8,;47.4,-21.01,;46.62,-22.34,;48.1,-22.74,;40.7,-21.79,;39.38,-21,;38.04,-21.76,;38.03,-23.3,;39.36,-24.08,;40.69,-23.32,)|
Show InChI InChI=1S/C29H38FN2O2/c1-29(25-8-4-2-5-9-25,31-17-6-3-7-18-31)28(33)34-27-22-32(20-15-24(27)16-21-32)19-14-23-10-12-26(30)13-11-23/h2,4-5,8-13,24,27H,3,6-7,14-22H2,1H3/q+1/t24?,27-,29-,32?/m0/s1
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PubMed
n/an/a 0.158n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human M3 receptor expressed in CHO-K1 cells after 16 hrs

Bioorg Med Chem Lett 21: 7440-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.002
BindingDB Entry DOI: 10.7270/Q2H41SPH
More data for this
Ligand-Target Pair