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BDBM50381638 CHEMBL2023755

SMILES: C[N+]1(Cc2ccccc2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2

InChI Key: InChIKey=ZSWGXUNSYOUQRE-SVZHKTCISA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50381638   
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))
BDBM50381638
PNG
(CHEMBL2023755)
Show SMILES C[N+]1(Cc2ccccc2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:14.16,TLB:0:1:14.13.31:11.10,THB:2:1:14.13.31:11.10,15:14:1:11.10,(3.57,-24.52,;5.06,-24.93,;5.83,-23.59,;5.05,-22.26,;5.81,-20.92,;5.04,-19.6,;3.5,-19.6,;2.73,-20.94,;3.51,-22.28,;6.12,-25.76,;5.52,-27.1,;4.34,-27.81,;5.33,-26.47,;7.17,-26.47,;8.14,-27.27,;8.92,-28.61,;10.46,-28.6,;10.85,-27.11,;11.24,-25.61,;11.23,-29.94,;10.46,-31.26,;11.23,-32.6,;12.78,-32.59,;13.54,-31.25,;12.77,-29.92,;11.94,-28.19,;13.03,-29.28,;14.51,-28.87,;14.9,-27.38,;13.8,-26.3,;12.32,-26.71,;7.88,-25.73,)|
Show InChI InChI=1S/C30H33N2/c1-32(22-24-11-5-2-6-12-24)28-17-18-29(32)20-25(19-28)21-30(23-31,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,25,28-29H,17-22H2,1H3/q+1/t25-,28?,29?,32?
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PC cid
PC sid
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Article
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n/an/a 318n/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