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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 414.5
BDBM50538995

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))
BDBM50538995
PNG
(CHEMBL4642156)
Show SMILES Cc1n(C)nc2ccc3c(NCc4ccc(cc4)C(=O)NC4CCCC4)ncnc3c12
Show InChI InChI=1S/C24H26N6O/c1-15-21-20(29-30(15)2)12-11-19-22(21)26-14-27-23(19)25-13-16-7-9-17(10-8-16)24(31)28-18-5-3-4-6-18/h7-12,14,18H,3-6,13H2,1-2H3,(H,28,31)(H,25,26,27)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 239n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induce...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126811
BindingDB Entry DOI: 10.7270/Q2J67MG1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50538995
PNG
(CHEMBL4642156)
Show SMILES Cc1n(C)nc2ccc3c(NCc4ccc(cc4)C(=O)NC4CCCC4)ncnc3c12
Show InChI InChI=1S/C24H26N6O/c1-15-21-20(29-30(15)2)12-11-19-22(21)26-14-27-23(19)25-13-16-7-9-17(10-8-16)24(31)28-18-5-3-4-6-18/h7-12,14,18H,3-6,13H2,1-2H3,(H,28,31)(H,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 168n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M4 receptor


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126811
BindingDB Entry DOI: 10.7270/Q2J67MG1
More data for this
Ligand-Target Pair