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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50381637'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381637
PNG
(CHEMBL2023754)
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,(-9.32,-23.68,;-7.82,-24.09,;-7.06,-22.75,;-7.84,-21.42,;-7.08,-20.08,;-7.85,-18.76,;-9.39,-18.76,;-10.16,-20.1,;-9.38,-21.44,;-6.77,-24.92,;-7.37,-26.26,;-8.55,-26.97,;-7.56,-25.63,;-5.72,-25.63,;-4.74,-26.43,;-3.97,-27.77,;-2.43,-27.76,;-2.04,-26.27,;-1.65,-24.77,;-1.66,-29.1,;-2.43,-30.42,;-1.65,-31.76,;-.11,-31.75,;.65,-30.41,;-.12,-29.08,;-.95,-27.35,;.14,-28.44,;1.62,-28.03,;2.01,-26.54,;.91,-25.46,;-.57,-25.87,;-5.01,-24.89,)|
Show InChI InChI=1S/C30H39N2/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/h3-4,7-10,13-16,24-25,28-29H,2,5-6,11-12,17-22H2,1H3/q+1/t25-,28?,29?,32?
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 89.6n/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