new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50381644'   
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))
BDBM50381644
PNG
(CHEMBL2023761)
Show SMILES C[N@@+]1(CC2CC2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.0,wD:11.13,1.1,TLB:2:1:11.10.28:8.7,THB:12:11:1:8.7,0:1:11.10.28:8.7,(32.95,-38.67,;31.86,-39.76,;30.37,-39.36,;29.98,-37.87,;30.37,-36.38,;28.88,-36.78,;32.92,-40.6,;32.32,-41.94,;31.14,-42.65,;32.12,-41.3,;33.97,-41.3,;34.95,-42.11,;35.72,-43.44,;37.26,-43.44,;37.65,-41.94,;38.05,-40.44,;38.04,-44.77,;37.26,-46.1,;38.04,-47.43,;39.58,-47.43,;40.35,-46.09,;39.57,-44.76,;38.74,-43.03,;39.84,-44.12,;41.32,-43.71,;41.7,-42.22,;40.6,-41.14,;39.12,-41.55,;34.68,-40.56,)|
Show InChI InChI=1S/C27H33N2/c1-29(19-21-12-13-21)25-14-15-26(29)17-22(16-25)18-27(20-28,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,21-22,25-26H,12-19H2,1H3/q+1/t22-,25?,26?,29+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26.3n/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