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BDBM50419530 CHEMBL1921928

SMILES: C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)c1cccs1

InChI Key: InChIKey=ABIVXWKXMJCZMZ-LQXXZEARSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50419530   
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))		BDBM50419530
PNG
(CHEMBL1921928)
Show SMILES C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)c1cccs1 |r,wU:1.0,wD:1.8,11.11,(-6.76,.93,;-6.75,2.48,;-6.76,4.02,;-5.42,4.79,;-5.42,6.33,;-6.76,7.11,;-8.1,6.33,;-8.1,4.78,;-5.41,1.7,;-5.41,.16,;-4.07,2.48,;-2.73,1.71,;-2.73,.16,;-1.39,-.6,;-1.35,-2.14,;.01,-2.87,;1.32,-2.06,;2.67,-2.78,;3.98,-1.96,;5.33,-2.69,;6.64,-1.88,;6.59,-.34,;5.22,.39,;3.92,-.43,;-.06,.16,;-.06,1.71,;-1.39,2.5,;-2.18,1.17,;-.69,.77,;-8.01,1.59,;-9.47,2.09,;-10.39,.86,;-9.51,-.4,;-8.03,.05,)|
Show InChI InChI=1S/C29H41N2O2S/c1-29(27-14-10-22-34-27,30-17-7-3-8-18-30)28(32)33-26-23-31(20-15-25(26)16-21-31)19-9-6-13-24-11-4-2-5-12-24/h2,4-5,10-12,14,22,25-26H,3,6-9,13,15-21,23H2,1H3/q+1/t25?,26-,29-,31?/m0/s1
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PubMed
n/an/a 0.251n/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