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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 151.2
BDBM50412427
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   
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))
BDBM50412427
PNG
(CHEMBL461089)
Show SMILES Cc1ccc(o1)[C@H]1CCCN1 |r|
Show InChI InChI=1S/C9H13NO/c1-7-4-5-9(11-7)8-3-2-6-10-8/h4-5,8,10H,2-3,6H2,1H3/t8-/m1/s1
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MCE
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Article
PubMed
3.24E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells by liquid scintillation counter


J Med Chem 51: 3905-12 (2008)


Article DOI: 10.1021/jm800145d
BindingDB Entry DOI: 10.7270/Q2TX3GMC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50412427
PNG
(CHEMBL461089)
Show SMILES Cc1ccc(o1)[C@H]1CCCN1 |r|
Show InChI InChI=1S/C9H13NO/c1-7-4-5-9(11-7)8-3-2-6-10-8/h4-5,8,10H,2-3,6H2,1H3/t8-/m1/s1
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Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells by liquid scintillation counter


J Med Chem 51: 3905-12 (2008)


Article DOI: 10.1021/jm800145d
BindingDB Entry DOI: 10.7270/Q2TX3GMC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412427
PNG
(CHEMBL461089)
Show SMILES Cc1ccc(o1)[C@H]1CCCN1 |r|
Show InChI InChI=1S/C9H13NO/c1-7-4-5-9(11-7)8-3-2-6-10-8/h4-5,8,10H,2-3,6H2,1H3/t8-/m1/s1
UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
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PC sid
UniChem

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Article
PubMed
1.45E+4n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells by liquid scintillation counter


J Med Chem 51: 3905-12 (2008)


Article DOI: 10.1021/jm800145d
BindingDB Entry DOI: 10.7270/Q2TX3GMC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50412427
PNG
(CHEMBL461089)
Show SMILES Cc1ccc(o1)[C@H]1CCCN1 |r|
Show InChI InChI=1S/C9H13NO/c1-7-4-5-9(11-7)8-3-2-6-10-8/h4-5,8,10H,2-3,6H2,1H3/t8-/m1/s1
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CHEMBL
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Article
PubMed
1.58E+4n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells by liquid scintillation counter


J Med Chem 51: 3905-12 (2008)


Article DOI: 10.1021/jm800145d
BindingDB Entry DOI: 10.7270/Q2TX3GMC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50412427
PNG
(CHEMBL461089)
Show SMILES Cc1ccc(o1)[C@H]1CCCN1 |r|
Show InChI InChI=1S/C9H13NO/c1-7-4-5-9(11-7)8-3-2-6-10-8/h4-5,8,10H,2-3,6H2,1H3/t8-/m1/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
2.95E+4n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO cells by liquid scintillation counter


J Med Chem 51: 3905-12 (2008)


Article DOI: 10.1021/jm800145d
BindingDB Entry DOI: 10.7270/Q2TX3GMC
More data for this
Ligand-Target Pair