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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 = 'BDBM50176705'   
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))
BDBM50176705
PNG
((R)-1,1-bis(4-chlorophenyl)-3-(3-methoxyquinuclidi...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(-1.92,-25.58,;-.43,-25.96,;-.02,-27.46,;.18,-28.83,;1.71,-28.18,;3.08,-28.81,;2.8,-27.42,;1.45,-26.81,;1.52,-25.18,;1.97,-26.28,;-1.51,-27.85,;-3.01,-28.25,;-4.5,-28.64,;-4.89,-27.16,;-5.99,-29.04,;-7.08,-27.95,;-8.57,-28.34,;-8.97,-29.83,;-10.46,-30.23,;-7.88,-30.93,;-6.39,-30.53,;-4.1,-30.13,;-5.19,-31.22,;-4.8,-32.7,;-3.31,-33.11,;-2.91,-34.59,;-2.22,-32.01,;-2.62,-30.53,)|
Show InChI InChI=1S/C23H23Cl2NO2/c1-28-22(16-26-14-10-17(22)11-15-26)12-13-23(27,18-2-6-20(24)7-3-18)19-4-8-21(25)9-5-19/h2-9,17,27H,10-11,14-16H2,1H3/t22-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
7.90n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M3 receptor


Bioorg Med Chem Lett 16: 373-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.079
BindingDB Entry DOI: 10.7270/Q2T72J70
More data for this
Ligand-Target Pair