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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50044035   
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))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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Article
PubMed
158n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 614-8 (2008)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.11.073
BindingDB Entry DOI: 10.7270/Q2XP76FV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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PubMed
1.23E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 614-8 (2008)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.11.073
BindingDB Entry DOI: 10.7270/Q2XP76FV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50385682
PNG
(CHEMBL390842)
Show SMILES C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
Show InChI InChI=1S/C9H20NO2/c1-8-6-11-7-9(12-8)5-10(2,3)4/h8-9H,5-7H2,1-4H3/q+1/t8-,9+/m0/s1
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PubMed
1.26E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 614-8 (2008)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.11.073
BindingDB Entry DOI: 10.7270/Q2XP76FV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50003014
PNG
(CHEMBL228144)
Show SMILES [I-].CC1COCC(C[N+](C)(C)C)O1
Show InChI InChI=1S/C9H20NO2.HI/c1-8-6-11-7-9(12-8)5-10(2,3)4;/h8-9H,5-7H2,1-4H3;1H/q+1;/p-1
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PubMed
4.89E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 614-8 (2008)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.11.073
BindingDB Entry DOI: 10.7270/Q2XP76FV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50003014
PNG
(CHEMBL228144)
Show SMILES [I-].CC1COCC(C[N+](C)(C)C)O1
Show InChI InChI=1S/C9H20NO2.HI/c1-8-6-11-7-9(12-8)5-10(2,3)4;/h8-9H,5-7H2,1-4H3;1H/q+1;/p-1
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Article
PubMed
4.89E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 614-8 (2008)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.11.073
BindingDB Entry DOI: 10.7270/Q2XP76FV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50003016
PNG
(CHEMBL227429)
Show SMILES [I-].C[C@H]1COC[C@H](C[N+](C)(C)C)O1
Show InChI InChI=1S/C9H20NO2.HI/c1-8-6-11-7-9(12-8)5-10(2,3)4;/h8-9H,5-7H2,1-4H3;1H/q+1;/p-1/t8-,9-;/m0./s1
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PubMed
5.25E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 614-8 (2008)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.11.073
BindingDB Entry DOI: 10.7270/Q2XP76FV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50003015
PNG
(CHEMBL227378)
Show SMILES [I-].C[C@@H]1COC[C@H](C[N+](C)(C)C)O1
Show InChI InChI=1S/C9H20NO2.HI/c1-8-6-11-7-9(12-8)5-10(2,3)4;/h8-9H,5-7H2,1-4H3;1H/q+1;/p-1/t8-,9+;/m1./s1
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Article
PubMed
6.92E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 614-8 (2008)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.11.073
BindingDB Entry DOI: 10.7270/Q2XP76FV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50415218
PNG
(CHEMBL404557)
Show SMILES C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
Show InChI InChI=1S/C9H20NO2/c1-8-6-11-7-9(12-8)5-10(2,3)4/h8-9H,5-7H2,1-4H3/q+1/t8-,9-/m1/s1
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Article
PubMed
6.17E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 614-8 (2008)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.11.073
BindingDB Entry DOI: 10.7270/Q2XP76FV
More data for this
Ligand-Target Pair