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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M4' and Ligand = 'BDBM50502347'   
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))
BDBM50502347
PNG
(CHEMBL4584879)
Show SMILES COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cncc(C)n1
Show InChI InChI=1S/C22H31N5O/c1-17-15-23-16-21(25-17)27-11-4-5-19(9-14-27)26-12-7-18(8-13-26)22-20(28-2)6-3-10-24-22/h3,6,10,15-16,18-19H,4-5,7-9,11-14H2,1-2H3
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulatory activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assess...


ACS Med Chem Lett 10: 941-948 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00106
BindingDB Entry DOI: 10.7270/Q2GM8BJH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50502347
PNG
(CHEMBL4584879)
Show SMILES COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cncc(C)n1
Show InChI InChI=1S/C22H31N5O/c1-17-15-23-16-21(25-17)27-11-4-5-19(9-14-27)26-12-7-18(8-13-26)22-20(28-2)6-3-10-24-22/h3,6,10,15-16,18-19H,4-5,7-9,11-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9.83E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assessed as decrease in isopr...


ACS Med Chem Lett 10: 941-948 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00106
BindingDB Entry DOI: 10.7270/Q2GM8BJH
More data for this
Ligand-Target Pair