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BDBM50381639 CHEMBL2023756

SMILES: C[N+]1(CCC2CCCCC2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2

InChI Key: InChIKey=JGZPNRUKZCVELA-OSDVXVDRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50381639   
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))
BDBM50381639
PNG
(CHEMBL2023756)
Show SMILES C[N+]1(CCC2CCCCC2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:15.17,TLB:0:1:15.14.32:12.11,THB:2:1:15.14.32:12.11,16:15:1:12.11,(16.43,-25.46,;17.93,-25.86,;18.69,-24.52,;17.91,-23.19,;18.67,-21.86,;20.21,-21.86,;20.97,-20.52,;20.2,-19.19,;18.66,-19.2,;17.89,-20.54,;18.98,-26.7,;18.38,-28.03,;17.2,-28.75,;18.19,-27.4,;20.03,-27.4,;21.01,-28.21,;21.78,-29.54,;23.32,-29.54,;23.71,-28.04,;24.11,-26.54,;24.1,-30.87,;23.33,-32.2,;24.1,-33.53,;25.64,-33.53,;26.41,-32.18,;25.63,-30.86,;24.8,-29.13,;25.9,-30.21,;27.38,-29.8,;27.76,-28.31,;26.66,-27.23,;25.18,-27.65,;20.74,-26.66,)|
Show InChI InChI=1S/C31H41N2/c1-33(20-19-25-11-5-2-6-12-25)29-17-18-30(33)22-26(21-29)23-31(24-32,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h3-4,7-10,13-16,25-26,29-30H,2,5-6,11-12,17-23H2,1H3/q+1/t26-,29?,30?,33?
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PC cid
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Article
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n/an/a 109n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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