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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 = 'BDBM50381642'   
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))
BDBM50381642
PNG
(CHEMBL2023757)
Show SMILES C[N+]1(CCCCC=C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:13.14,TLB:0:1:13.12.30:10.9,THB:2:1:13.12.30:10.9,14:13:1:10.9,(30.98,-25.88,;32.47,-26.28,;33.23,-24.94,;32.46,-23.61,;33.22,-22.28,;32.44,-20.95,;33.2,-19.61,;32.42,-18.28,;33.53,-27.12,;32.93,-28.45,;31.75,-29.17,;32.73,-27.82,;34.57,-27.82,;35.55,-28.63,;36.33,-29.96,;37.87,-29.96,;38.26,-28.46,;38.65,-26.96,;38.64,-31.29,;37.87,-32.62,;38.64,-33.95,;40.18,-33.95,;40.95,-32.6,;40.17,-31.28,;39.35,-29.55,;40.44,-30.63,;41.92,-30.22,;42.31,-28.73,;41.2,-27.65,;39.73,-28.07,;35.29,-27.08,)|
Show InChI InChI=1S/C29H37N2/c1-3-4-5-12-19-31(2)27-17-18-28(31)21-24(20-27)22-29(23-30,25-13-8-6-9-14-25)26-15-10-7-11-16-26/h3,6-11,13-16,24,27-28H,1,4-5,12,17-22H2,2H3/q+1/t24-,27?,28?,31?
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 85.2n/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