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SMILES: C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCc3cccnc3)CCC1CC2)c1ccccc1

InChI Key: InChIKey=FKZXUTFIOSGCHU-NGWQEONKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50419496   
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))		BDBM50419496
PNG
(CHEMBL1921921)
Show SMILES C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCc3cccnc3)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:1.8,11.11,(27.34,-20.68,;27.35,-19.14,;27.34,-17.6,;28.68,-16.83,;28.68,-15.29,;27.34,-14.51,;26,-15.29,;26,-16.84,;28.69,-19.91,;28.69,-21.46,;30.03,-19.13,;31.37,-19.91,;31.37,-21.45,;32.7,-22.21,;32.75,-23.75,;34.1,-24.48,;35.41,-23.67,;36.77,-24.4,;38.07,-23.59,;39.42,-24.31,;39.47,-25.86,;38.16,-26.67,;36.81,-25.94,;34.04,-21.45,;34.04,-19.91,;32.7,-19.12,;31.92,-20.45,;33.4,-20.85,;26.02,-19.92,;24.69,-19.15,;23.36,-19.93,;23.37,-21.47,;24.71,-22.23,;26.03,-21.45,)|
Show InChI InChI=1S/C29H40N3O2/c1-29(26-12-4-2-5-13-26,31-17-6-3-7-18-31)28(33)34-27-23-32(20-14-25(27)15-21-32)19-9-11-24-10-8-16-30-22-24/h2,4-5,8,10,12-13,16,22,25,27H,3,6-7,9,11,14-15,17-21,23H2,1H3/q+1/t25?,27-,29-,32?/m0/s1
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Similars
Article
PubMed
n/an/a 0.316n/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