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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 = 'BDBM50381652'   
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))
BDBM50381652
PNG
(CHEMBL2023760)
Show SMILES C[N@+]1(CC2CC2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.1,wD:11.13,1.0,TLB:0:1:11.10.28:8.7,THB:2:1:11.10.28:8.7,12:11:1:8.7,(16.85,-39.66,;18.34,-40.07,;19.1,-38.73,;18.32,-37.4,;18.31,-35.87,;16.98,-36.65,;19.4,-40.91,;18.8,-42.24,;17.62,-42.96,;18.6,-41.61,;20.45,-41.61,;21.43,-42.42,;22.2,-43.75,;23.74,-43.75,;24.13,-42.25,;24.53,-40.75,;24.52,-45.08,;23.75,-46.41,;24.52,-47.74,;26.06,-47.74,;26.83,-46.4,;26.05,-45.07,;25.22,-43.34,;26.32,-44.42,;27.8,-44.02,;28.19,-42.53,;27.08,-41.44,;25.6,-41.86,;21.16,-40.87,)|
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-
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.0251n/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