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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM280408'   
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 M2


(Homo sapiens (Human))
BDBM280408
PNG
(US10030012, Example 38 | ethyl 4-[4-(3- methoxypyr...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
Show InChI InChI=1S/C20H31N3O3/c1-3-26-20(24)23-12-5-6-17(10-15-23)22-13-8-16(9-14-22)19-18(25-2)7-4-11-21-19/h4,7,11,16-17H,3,5-6,8-10,12-15H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.52E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human Muscarinic acetylcholine receptor M2 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
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM280408
PNG
(US10030012, Example 38 | ethyl 4-[4-(3- methoxypyr...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
Show InChI InChI=1S/C20H31N3O3/c1-3-26-20(24)23-12-5-6-17(10-15-23)22-13-8-16(9-14-22)19-18(25-2)7-4-11-21-19/h4,7,11,16-17H,3,5-6,8-10,12-15H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 160n/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair