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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 435.9
BDBM50268350

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))
BDBM50268350
PNG
(CHEMBL4098893)
Show SMILES Clc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCCC1=O
Show InChI InChI=1S/C19H22ClN5O3S/c20-15-5-1-2-6-16(15)29(27,28)24-13-11-23(12-14-24)17-8-9-18(22-21-17)25-10-4-3-7-19(25)26/h1-2,5-6,8-9H,3-4,7,10-14H2
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Similars

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



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair