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BDBM50381648 CHEMBL2023750

SMILES: C[N+]1(CCO)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2

InChI Key: InChIKey=HWQNEOLBBSKQSE-SKDOWNRHSA-N

Data: 1 Kd

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50381648   
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))		BDBM50381648
PNG
(CHEMBL2023750)
Show SMILES C[N+]1(CCO)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:10.11,TLB:0:1:10.9.27:7.6,THB:2:1:10.9.27:7.6,11:10:1:7.6,(-9.08,-9.39,;-7.59,-9.8,;-6.82,-8.46,;-7.6,-7.13,;-6.84,-5.79,;-6.53,-10.63,;-7.13,-11.97,;-8.31,-12.68,;-7.32,-11.34,;-5.48,-11.34,;-4.5,-12.15,;-3.73,-13.48,;-2.19,-13.48,;-1.8,-11.98,;-1.41,-10.48,;-1.42,-14.81,;-2.19,-16.14,;-1.41,-17.47,;.13,-17.47,;.9,-16.12,;.12,-14.79,;-.71,-13.07,;.38,-14.15,;1.87,-13.74,;2.25,-12.25,;1.15,-11.17,;-.33,-11.59,;-4.77,-10.6,)|
Show InChI InChI=1S/C25H31N2O/c1-27(14-15-28)23-12-13-24(27)17-20(16-23)18-25(19-26,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,20,23-24,28H,12-18H2,1H3/q+1/t20-,23?,24?,27?
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Similars
Article
PubMed
n/an/an/a 0.158n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...

Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair