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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 = 'BDBM50381649'   
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))
BDBM50381649
PNG
(CHEMBL2023751)
Show SMILES C[N+]1(CC=C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:10.11,TLB:0:1:10.9.27:7.6,THB:2:1:10.9.27:7.6,11:10:1:7.6,(4.71,-10.44,;6.21,-10.84,;6.97,-9.5,;6.19,-8.18,;6.95,-6.84,;7.26,-11.68,;6.66,-13.02,;5.48,-13.73,;6.47,-12.38,;8.31,-12.38,;9.29,-13.19,;10.06,-14.52,;11.6,-14.52,;11.99,-13.02,;12.39,-11.52,;12.37,-15.85,;11.61,-17.18,;12.38,-18.51,;13.92,-18.51,;14.69,-17.16,;13.91,-15.84,;13.08,-14.11,;14.17,-15.19,;15.65,-14.78,;16.04,-13.3,;14.94,-12.22,;13.46,-12.63,;9.02,-11.64,)|
Show InChI InChI=1S/C26H31N2/c1-3-16-28(2)24-14-15-25(28)18-21(17-24)19-26(20-27,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h3-13,21,24-25H,1,14-19H2,2H3/q+1/t21-,24?,25?,28?
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.26n/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