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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 415.2
BDBM372323

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

Found 2 hits 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))
BDBM372323
PNG
(N-[1-(2,5-dichloro-4- pyridyl)azetidin-3-yl]- 7,9-...)
Show SMILES Cc1cc(C)c2c(n1)oc1c(NC3CN(C3)c3cc(Cl)ncc3Cl)ncnc21
Show InChI InChI=1S/C19H16Cl2N6O/c1-9-3-10(2)25-19-15(9)16-17(28-19)18(24-8-23-16)26-11-6-27(7-11)13-4-14(21)22-5-12(13)20/h3-5,8,11H,6-7H2,1-2H3,(H,23,24,26)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.49E+3n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human muscarinic acetylcholine M4/Gqi5 receptor expressed in CHO cells in presence of acetylcholine at EC20 concent...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128416
BindingDB Entry DOI: 10.7270/Q22R3WHF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM372323
PNG
(N-[1-(2,5-dichloro-4- pyridyl)azetidin-3-yl]- 7,9-...)
Show SMILES Cc1cc(C)c2c(n1)oc1c(NC3CN(C3)c3cc(Cl)ncc3Cl)ncnc21
Show InChI InChI=1S/C19H16Cl2N6O/c1-9-3-10(2)25-19-15(9)16-17(28-19)18(24-8-23-16)26-11-6-27(7-11)13-4-14(21)22-5-12(13)20/h3-5,8,11H,6-7H2,1-2H3,(H,23,24,26)
PDB

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.49E+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