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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 = 'BDBM50381653'   
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))
BDBM50381653
PNG
(CHEMBL2021997)
Show SMILES C[N@+]1(CCCOCc2ccccc2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.1,wD:18.20,1.0,TLB:0:1:18.17.35:15.14,THB:2:1:18.17.35:15.14,19:18:1:15.14,(6.69,-36.05,;8.18,-36.46,;8.95,-35.12,;8.17,-33.79,;8.93,-32.45,;8.15,-31.12,;8.91,-29.78,;8.13,-28.46,;8.9,-27.12,;8.12,-25.79,;6.58,-25.8,;5.82,-27.15,;6.6,-28.47,;9.24,-37.29,;8.64,-38.63,;7.46,-39.34,;8.45,-38,;10.29,-38,;11.26,-38.8,;12.04,-40.14,;13.58,-40.13,;13.97,-38.64,;14.36,-37.14,;14.35,-41.47,;13.58,-42.79,;14.35,-44.13,;15.9,-44.12,;16.66,-42.78,;15.89,-41.45,;15.06,-39.72,;16.15,-40.81,;17.63,-40.4,;18.02,-38.91,;16.92,-37.83,;15.44,-38.24,;11,-37.26,)|
Show InChI InChI=1S/C33H39N2O/c1-35(20-11-21-36-25-27-12-5-2-6-13-27)31-18-19-32(35)23-28(22-31)24-33(26-34,29-14-7-3-8-15-29)30-16-9-4-10-17-30/h2-10,12-17,28,31-32H,11,18-25H2,1H3/q+1/t28-,31?,32?,35-
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.0398n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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