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SMILES: C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(Cc3noc(n3)-c3ccccc3)CCC1CC2)c1cccs1

InChI Key: InChIKey=NSUXHNATZRCPHE-VEERZVHFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50419525   
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))		BDBM50419525
PNG
(CHEMBL1922058)
Show SMILES C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(Cc3noc(n3)-c3ccccc3)CCC1CC2)c1cccs1 |r,wU:1.0,wD:11.11,1.8,(28.15,-48.94,;28.16,-47.39,;28.16,-45.85,;29.5,-45.08,;29.49,-43.54,;28.16,-42.76,;26.82,-43.54,;26.81,-45.09,;29.5,-48.17,;29.51,-49.71,;30.84,-47.39,;32.18,-48.16,;32.18,-49.71,;33.52,-50.47,;33.53,-52,;34.87,-52.76,;34.88,-54.3,;36.34,-54.77,;37.24,-53.53,;36.33,-52.28,;38.78,-53.52,;39.55,-54.86,;41.09,-54.85,;41.85,-53.52,;41.07,-52.18,;39.54,-52.19,;34.85,-49.71,;34.85,-48.16,;33.52,-47.37,;32.74,-48.7,;34.22,-49.1,;26.83,-48.16,;25.38,-47.68,;24.46,-48.91,;25.35,-50.17,;26.82,-49.71,)|
Show InChI InChI=1S/C28H35N4O3S/c1-28(24-11-8-18-36-24,31-14-6-3-7-15-31)27(33)34-23-19-32(16-12-21(23)13-17-32)20-25-29-26(35-30-25)22-9-4-2-5-10-22/h2,4-5,8-11,18,21,23H,3,6-7,12-17,19-20H2,1H3/q+1/t21?,23-,28-,32?/m0/s1
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PC cid
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Article
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