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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 Monomerid = 50034871   
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


(Cavia porcellus)
BDBM50034871
PNG
((R)-[4-(2-Fluoro-ethyl)-phenyl]-hydroxy-phenyl-ace...)
Show SMILES O[C@](C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccc(CCF)cc1
Show InChI InChI=1S/C23H26FNO3/c24-13-10-17-6-8-20(9-7-17)23(27,19-4-2-1-3-5-19)22(26)28-21-16-25-14-11-18(21)12-15-25/h1-9,18,21,27H,10-16H2/t21?,23-/m1/s1
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity against guinea pig ileum using [3H]-N-methylscopolamine


J Med Chem 38: 1711-9 (1995)


Article DOI: 10.1021/jm00010a016
BindingDB Entry DOI: 10.7270/Q2PV6JDQ
More data for this
Ligand-Target Pair