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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50006584'   
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 M1


(Homo sapiens (Human))
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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8.20n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 689-94 (1991)


BindingDB Entry DOI: 10.7270/Q25T3J06
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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600n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


Article DOI: 10.1021/jm00050a006
BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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1.95E+3n/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 M1


(Homo sapiens (Human))
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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1.95E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


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


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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1.95E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor transfected in CHO cells after 120 mins by scintillation counting analysis


Bioorg Med Chem Lett 24: 3255-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.020
BindingDB Entry DOI: 10.7270/Q2WW7KBT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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9.10E+3n/an/an/an/an/an/an/an/a



University of Arizona Health Science Center

Curated by PDSP Ki Database




Life Sci 50: 355-63 (1992)


BindingDB Entry DOI: 10.7270/Q2XK8D19
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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n/an/a 355n/an/an/an/an/an/a



Novo Nordisk CNS Division

Curated by ChEMBL


Assay Description
In vitro binding affinity against muscarinic acetylcholine receptor M1 from rat hippocampus, using [3H]-oxotremorine-M (Oxo-M) as radioligand


J Med Chem 35: 2274-83 (1992)


Article DOI: 10.1021/jm00090a019
BindingDB Entry DOI: 10.7270/Q22J69TH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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n/an/a 355n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding activity against muscarinic acetylcholine receptor M1 in rat brain, using [3H]OXO-M as the radioligand.


J Med Chem 38: 3469-81 (1995)


Article DOI: 10.1021/jm00018a007
BindingDB Entry DOI: 10.7270/Q2TB17JZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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n/an/a 955n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pz (pirenzepine) from the muscarinic receptor M1 of the rat hippocampus


Bioorg Med Chem Lett 2: 809-814 (1992)


Article DOI: 10.1016/S0960-894X(00)80536-3
BindingDB Entry DOI: 10.7270/Q2T72HBX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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n/an/a 955n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding activity against muscarinic acetylcholine receptor M1 in rat brain, using [3H]-Pz as the radioligand.


J Med Chem 38: 3469-81 (1995)


Article DOI: 10.1021/jm00018a007
BindingDB Entry DOI: 10.7270/Q2TB17JZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human Muscarinic acetylcholine receptor M1 using [3H]-quinuclidinyl benzilate to label antagonist site (RQNB) in CHO cell...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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n/an/a 7.24E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB in genetically transformed mouse cell line (m1C2) transfected with Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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n/an/an/an/a 3.50E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective concentration for HMPA (human muscarinic inositol phosphate accumulation) activity measured in CHO cells expressing Muscarinic acetylcholin...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair