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PubMed code 24844758

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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))
BDBM50019290
PNG
(CHEMBL3289390)
Show SMILES [Br-].C[N+]1(C)CCC[C@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H26NO3.BrH/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;1H/q+1;/p-1/t19-;/m1./s1
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Article
PubMed
0.450n/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
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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 M3


(Homo sapiens (Human))
BDBM50019290
PNG
(CHEMBL3289390)
Show SMILES [Br-].C[N+]1(C)CCC[C@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H26NO3.BrH/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;1H/q+1;/p-1/t19-;/m1./s1
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PubMed
2.10n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M3R 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))
BDBM50019289
PNG
(CHEMBL3289391)
Show SMILES [Br-].C[N+]1(C)CCC[C@@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H26NO3.BrH/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;1H/q+1;/p-1/t19-;/m0./s1
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PubMed
2.5n/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 M3


(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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Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M3R 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 M3


(Homo sapiens (Human))
BDBM50019289
PNG
(CHEMBL3289391)
Show SMILES [Br-].C[N+]1(C)CCC[C@@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H26NO3.BrH/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;1H/q+1;/p-1/t19-;/m0./s1
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Article
PubMed
28n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M3R 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
* indicates data uncertainty>20%