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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 = 'BDBM50377964'   
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))
BDBM50377964
PNG
(Cantil | Glycophenylate | MEPENZOLATE BROMIDE | Me...)
Show SMILES C[N+]1(C)CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.680n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M2R expressed in CHOK1 cells after 2 hrs by scintillation counting analysis


Bioorg Med Chem 22: 3488-97 (2014)


Article DOI: 10.1016/j.bmc.2014.04.029
BindingDB Entry DOI: 10.7270/Q2VD7111
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50377964
PNG
(Cantil | Glycophenylate | MEPENZOLATE BROMIDE | Me...)
Show SMILES C[N+]1(C)CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M2R expressed in CHOK1 cell membranes incubated for 2 hrs by microbeta scintillation counting method


Bioorg Med Chem 27: 3339-3346 (2019)


Article DOI: 10.1016/j.bmc.2019.06.016
BindingDB Entry DOI: 10.7270/Q2DR2ZXC
More data for this
Ligand-Target Pair