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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 316.7
BDBM372315

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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 M4


(Homo sapiens (Human))
BDBM372315
PNG
(8-chloro-N-(cyclobutyl- methyl)-7,9-dimethyl- pyri...)
Show SMILES Cc1nc2oc3c(NCC4CCC4)ncnc3c2c(C)c1Cl
Show InChI InChI=1S/C16H17ClN4O/c1-8-11-13-14(22-16(11)21-9(2)12(8)17)15(20-7-19-13)18-6-10-4-3-5-10/h7,10H,3-6H2,1-2H3,(H,18,19,20)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.53E+3n/an/an/an/a



Merck Research Laboratories



Assay Description
For high throughput measurement of agonist-evoked increases in intracellular calcium, CHO-K1 cells stably expressing muscarinic receptors were plated...


J Med Chem 48: 6169-73 (2005)


BindingDB Entry DOI: 10.7270/Q2W09880
More data for this
Ligand-Target Pair