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Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with all data for entry = 50037986   
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 M3


(Homo sapiens (Human))
BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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0.680n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50371194
PNG
(CHEMBL1256938)
Show SMILES COc1ccccc1NCCCCCCNCCCCCCCCNCCCCCCNc1ccccc1OC
Show InChI InChI=1S/C34H58N4O2/c1-39-33-23-13-11-21-31(33)37-29-19-9-7-17-27-35-25-15-5-3-4-6-16-26-36-28-18-8-10-20-30-38-32-22-12-14-24-34(32)40-2/h11-14,21-24,35-38H,3-10,15-20,25-30H2,1-2H3
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10.4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


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


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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21.4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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35.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223174
PNG
(2-(4-Piperidin-1-ylbut-2-yn-1-yl)isoxazolidin-3-on...)
Show SMILES O=C1CCON1CC#CC[NH+]1CCCCC1
Show InChI InChI=1S/C12H18N2O2/c15-12-6-11-16-14(12)10-5-4-9-13-7-2-1-3-8-13/h1-3,6-11H2/p+1
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40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


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


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223170
PNG
(CHEMBL239655 | N,N-dimethyl-4-[(5-methylisoxazol-3...)
Show SMILES Cc1cc(OCC#CC[N+](C)(C)C)no1
Show InChI InChI=1S/C11H17N2O2/c1-10-9-11(12-15-10)14-8-6-5-7-13(2,3)4/h9H,7-8H2,1-4H3/q+1
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


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


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223182
PNG
(2-(4-(pyrrolidin-1-yl)but-2-ynyl)isoxazolidin-3-on...)
Show SMILES O=C1CCON1CC#CCN1CCCC1
Show InChI InChI=1S/C11H16N2O2/c14-11-5-10-15-13(11)9-4-3-8-12-6-1-2-7-12/h1-2,5-10H2
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70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


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


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223176
PNG
(1-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]pi...)
Show SMILES C[N+]1(CC#CCOC2=NOCC2)CCCCC1 |t:7|
Show InChI InChI=1S/C13H21N2O2/c1-15(8-3-2-4-9-15)10-5-6-11-16-13-7-12-17-14-13/h2-4,7-12H2,1H3/q+1
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219n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


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


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50223182
PNG
(2-(4-(pyrrolidin-1-yl)but-2-ynyl)isoxazolidin-3-on...)
Show SMILES O=C1CCON1CC#CCN1CCCC1
Show InChI InChI=1S/C11H16N2O2/c14-11-5-10-15-13(11)9-4-3-8-12-6-1-2-7-12/h1-2,5-10H2
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222n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223182
PNG
(2-(4-(pyrrolidin-1-yl)but-2-ynyl)isoxazolidin-3-on...)
Show SMILES O=C1CCON1CC#CCN1CCCC1
Show InChI InChI=1S/C11H16N2O2/c14-11-5-10-15-13(11)9-4-3-8-12-6-1-2-7-12/h1-2,5-10H2
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392n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223164
PNG
(2-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]-1...)
Show SMILES C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 |t:7|
Show InChI InChI=1S/C17H21N2O2/c1-19(10-4-5-12-20-17-9-13-21-18-17)11-8-15-6-2-3-7-16(15)14-19/h2-3,6-7H,8-14H2,1H3/q+1
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474n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


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


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50223182
PNG
(2-(4-(pyrrolidin-1-yl)but-2-ynyl)isoxazolidin-3-on...)
Show SMILES O=C1CCON1CC#CCN1CCCC1
Show InChI InChI=1S/C11H16N2O2/c14-11-5-10-15-13(11)9-4-3-8-12-6-1-2-7-12/h1-2,5-10H2
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510n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223174
PNG
(2-(4-Piperidin-1-ylbut-2-yn-1-yl)isoxazolidin-3-on...)
Show SMILES O=C1CCON1CC#CC[NH+]1CCCCC1
Show InChI InChI=1S/C12H18N2O2/c15-12-6-11-16-14(12)10-5-4-9-13-7-2-1-3-8-13/h1-3,6-11H2/p+1
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537n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50223174
PNG
(2-(4-Piperidin-1-ylbut-2-yn-1-yl)isoxazolidin-3-on...)
Show SMILES O=C1CCON1CC#CC[NH+]1CCCCC1
Show InChI InChI=1S/C12H18N2O2/c15-12-6-11-16-14(12)10-5-4-9-13-7-2-1-3-8-13/h1-3,6-11H2/p+1
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544n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50223170
PNG
(CHEMBL239655 | N,N-dimethyl-4-[(5-methylisoxazol-3...)
Show SMILES Cc1cc(OCC#CC[N+](C)(C)C)no1
Show InChI InChI=1S/C11H17N2O2/c1-10-9-11(12-15-10)14-8-6-5-7-13(2,3)4/h9H,7-8H2,1-4H3/q+1
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682n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50223174
PNG
(2-(4-Piperidin-1-ylbut-2-yn-1-yl)isoxazolidin-3-on...)
Show SMILES O=C1CCON1CC#CC[NH+]1CCCCC1
Show InChI InChI=1S/C12H18N2O2/c15-12-6-11-16-14(12)10-5-4-9-13-7-2-1-3-8-13/h1-3,6-11H2/p+1
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792n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223174
PNG
(2-(4-Piperidin-1-ylbut-2-yn-1-yl)isoxazolidin-3-on...)
Show SMILES O=C1CCON1CC#CC[NH+]1CCCCC1
Show InChI InChI=1S/C12H18N2O2/c15-12-6-11-16-14(12)10-5-4-9-13-7-2-1-3-8-13/h1-3,6-11H2/p+1
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819n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223163
PNG
(1-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]pi...)
Show SMILES C(OC1=NOCC1)C#CC[NH+]1CCCCC1 |t:2|
Show InChI InChI=1S/C12H18N2O2/c1-2-7-14(8-3-1)9-4-5-10-15-12-6-11-16-13-12/h1-3,6-11H2/p+1
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876n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


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


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223164
PNG
(2-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]-1...)
Show SMILES C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 |t:7|
Show InChI InChI=1S/C17H21N2O2/c1-19(10-4-5-12-20-17-9-13-21-18-17)11-8-15-6-2-3-7-16(15)14-19/h2-3,6-7H,8-14H2,1H3/q+1
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887n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223182
PNG
(2-(4-(pyrrolidin-1-yl)but-2-ynyl)isoxazolidin-3-on...)
Show SMILES O=C1CCON1CC#CCN1CCCC1
Show InChI InChI=1S/C11H16N2O2/c14-11-5-10-15-13(11)9-4-3-8-12-6-1-2-7-12/h1-2,5-10H2
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905n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50223173
PNG
(CHEMBL239017 | N,N-dimethyl-4-[(5-methylisoxazol-3...)
Show SMILES C[NH+](C)CC#CCOc1cc(C)on1
Show InChI InChI=1S/C10H14N2O2/c1-9-8-10(11-14-9)13-7-5-4-6-12(2)3/h8H,6-7H2,1-3H3/p+1
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1.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223179
PNG
(5-phenyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]is...)
Show SMILES C[N+]1(CC#CCOc2cc(on2)-c2ccccc2)CCCC1
Show InChI InChI=1S/C18H21N2O2/c1-20(11-5-6-12-20)13-7-8-14-21-18-15-17(22-19-18)16-9-3-2-4-10-16/h2-4,9-10,15H,5-6,11-14H2,1H3/q+1
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1.45E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50223176
PNG
(1-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]pi...)
Show SMILES C[N+]1(CC#CCOC2=NOCC2)CCCCC1 |t:7|
Show InChI InChI=1S/C13H21N2O2/c1-15(8-3-2-4-9-15)10-5-6-11-16-13-7-12-17-14-13/h2-4,7-12H2,1H3/q+1
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1.68E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50223179
PNG
(5-phenyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]is...)
Show SMILES C[N+]1(CC#CCOc2cc(on2)-c2ccccc2)CCCC1
Show InChI InChI=1S/C18H21N2O2/c1-20(11-5-6-12-20)13-7-8-14-21-18-15-17(22-19-18)16-9-3-2-4-10-16/h2-4,9-10,15H,5-6,11-14H2,1H3/q+1
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1.84E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223165
PNG
(5-methyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]is...)
Show SMILES Cc1cc(OCC#CC[N+]2(C)CCCC2)no1
Show InChI InChI=1S/C13H19N2O2/c1-12-11-13(14-17-12)16-10-6-5-9-15(2)7-3-4-8-15/h11H,3-4,7-10H2,1-2H3/q+1
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2.04E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


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


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50223164
PNG
(2-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]-1...)
Show SMILES C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 |t:7|
Show InChI InChI=1S/C17H21N2O2/c1-19(10-4-5-12-20-17-9-13-21-18-17)11-8-15-6-2-3-7-16(15)14-19/h2-3,6-7H,8-14H2,1H3/q+1
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2.27E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223179
PNG
(5-phenyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]is...)
Show SMILES C[N+]1(CC#CCOc2cc(on2)-c2ccccc2)CCCC1
Show InChI InChI=1S/C18H21N2O2/c1-20(11-5-6-12-20)13-7-8-14-21-18-15-17(22-19-18)16-9-3-2-4-10-16/h2-4,9-10,15H,5-6,11-14H2,1H3/q+1
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3.38E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223173
PNG
(CHEMBL239017 | N,N-dimethyl-4-[(5-methylisoxazol-3...)
Show SMILES C[NH+](C)CC#CCOc1cc(C)on1
Show InChI InChI=1S/C10H14N2O2/c1-9-8-10(11-14-9)13-7-5-4-6-12(2)3/h8H,6-7H2,1-3H3/p+1
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3.80E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


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


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223163
PNG
(1-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]pi...)
Show SMILES C(OC1=NOCC1)C#CC[NH+]1CCCCC1 |t:2|
Show InChI InChI=1S/C12H18N2O2/c1-2-7-14(8-3-1)9-4-5-10-15-12-6-11-16-13-12/h1-3,6-11H2/p+1
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3.92E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223170
PNG
(CHEMBL239655 | N,N-dimethyl-4-[(5-methylisoxazol-3...)
Show SMILES Cc1cc(OCC#CC[N+](C)(C)C)no1
Show InChI InChI=1S/C11H17N2O2/c1-10-9-11(12-15-10)14-8-6-5-7-13(2,3)4/h9H,7-8H2,1-4H3/q+1
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4.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223166
PNG
(5-phenyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]-i...)
Show SMILES C(Oc1cc(on1)-c1ccccc1)C#CC[NH+]1CCCC1
Show InChI InChI=1S/C17H18N2O2/c1-2-8-15(9-3-1)16-14-17(18-21-16)20-13-7-6-12-19-10-4-5-11-19/h1-3,8-9,14H,4-5,10-13H2/p+1
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4.01E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223178
PNG
(1-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]in...)
Show SMILES C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc12 |t:7|
Show InChI InChI=1S/C16H19N2O2/c1-18(11-8-14-6-2-3-7-15(14)18)10-4-5-12-19-16-9-13-20-17-16/h2-3,6-7H,8-13H2,1H3/q+1
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4.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


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


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50223176
PNG
(1-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]pi...)
Show SMILES C[N+]1(CC#CCOC2=NOCC2)CCCCC1 |t:7|
Show InChI InChI=1S/C13H21N2O2/c1-15(8-3-2-4-9-15)10-5-6-11-16-13-7-12-17-14-13/h2-4,7-12H2,1H3/q+1
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4.12E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223163
PNG
(1-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]pi...)
Show SMILES C(OC1=NOCC1)C#CC[NH+]1CCCCC1 |t:2|
Show InChI InChI=1S/C12H18N2O2/c1-2-7-14(8-3-1)9-4-5-10-15-12-6-11-16-13-12/h1-3,6-11H2/p+1
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4.55E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223176
PNG
(1-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]pi...)
Show SMILES C[N+]1(CC#CCOC2=NOCC2)CCCCC1 |t:7|
Show InChI InChI=1S/C13H21N2O2/c1-15(8-3-2-4-9-15)10-5-6-11-16-13-7-12-17-14-13/h2-4,7-12H2,1H3/q+1
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4.74E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50223163
PNG
(1-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]pi...)
Show SMILES C(OC1=NOCC1)C#CC[NH+]1CCCCC1 |t:2|
Show InChI InChI=1S/C12H18N2O2/c1-2-7-14(8-3-1)9-4-5-10-15-12-6-11-16-13-12/h1-3,6-11H2/p+1
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5.14E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50223166
PNG
(5-phenyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]-i...)
Show SMILES C(Oc1cc(on1)-c1ccccc1)C#CC[NH+]1CCCC1
Show InChI InChI=1S/C17H18N2O2/c1-2-8-15(9-3-1)16-14-17(18-21-16)20-13-7-6-12-19-10-4-5-11-19/h1-3,8-9,14H,4-5,10-13H2/p+1
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5.48E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223178
PNG
(1-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]in...)
Show SMILES C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc12 |t:7|
Show InChI InChI=1S/C16H19N2O2/c1-18(11-8-14-6-2-3-7-15(14)18)10-4-5-12-19-16-9-13-20-17-16/h2-3,6-7H,8-13H2,1H3/q+1
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5.54E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50223164
PNG
(2-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]-1...)
Show SMILES C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 |t:7|
Show InChI InChI=1S/C17H21N2O2/c1-19(10-4-5-12-20-17-9-13-21-18-17)11-8-15-6-2-3-7-16(15)14-19/h2-3,6-7H,8-14H2,1H3/q+1
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5.66E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50223165
PNG
(5-methyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]is...)
Show SMILES Cc1cc(OCC#CC[N+]2(C)CCCC2)no1
Show InChI InChI=1S/C13H19N2O2/c1-12-11-13(14-17-12)16-10-6-5-9-15(2)7-3-4-8-15/h11H,3-4,7-10H2,1-2H3/q+1
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5.93E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50223179
PNG
(5-phenyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]is...)
Show SMILES C[N+]1(CC#CCOc2cc(on2)-c2ccccc2)CCCC1
Show InChI InChI=1S/C18H21N2O2/c1-20(11-5-6-12-20)13-7-8-14-21-18-15-17(22-19-18)16-9-3-2-4-10-16/h2-4,9-10,15H,5-6,11-14H2,1H3/q+1
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5.99E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50223163
PNG
(1-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]pi...)
Show SMILES C(OC1=NOCC1)C#CC[NH+]1CCCCC1 |t:2|
Show InChI InChI=1S/C12H18N2O2/c1-2-7-14(8-3-1)9-4-5-10-15-12-6-11-16-13-12/h1-3,6-11H2/p+1
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6.04E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223166
PNG
(5-phenyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]-i...)
Show SMILES C(Oc1cc(on1)-c1ccccc1)C#CC[NH+]1CCCC1
Show InChI InChI=1S/C17H18N2O2/c1-2-8-15(9-3-1)16-14-17(18-21-16)20-13-7-6-12-19-10-4-5-11-19/h1-3,8-9,14H,4-5,10-13H2/p+1
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PubMed
6.14E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50223170
PNG
(CHEMBL239655 | N,N-dimethyl-4-[(5-methylisoxazol-3...)
Show SMILES Cc1cc(OCC#CC[N+](C)(C)C)no1
Show InChI InChI=1S/C11H17N2O2/c1-10-9-11(12-15-10)14-8-6-5-7-13(2,3)4/h9H,7-8H2,1-4H3/q+1
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6.31E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50223166
PNG
(5-phenyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]-i...)
Show SMILES C(Oc1cc(on1)-c1ccccc1)C#CC[NH+]1CCCC1
Show InChI InChI=1S/C17H18N2O2/c1-2-8-15(9-3-1)16-14-17(18-21-16)20-13-7-6-12-19-10-4-5-11-19/h1-3,8-9,14H,4-5,10-13H2/p+1
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6.89E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223164
PNG
(2-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]-1...)
Show SMILES C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 |t:7|
Show InChI InChI=1S/C17H21N2O2/c1-19(10-4-5-12-20-17-9-13-21-18-17)11-8-15-6-2-3-7-16(15)14-19/h2-3,6-7H,8-14H2,1H3/q+1
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6.96E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223176
PNG
(1-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]pi...)
Show SMILES C[N+]1(CC#CCOC2=NOCC2)CCCCC1 |t:7|
Show InChI InChI=1S/C13H21N2O2/c1-15(8-3-2-4-9-15)10-5-6-11-16-13-7-12-17-14-13/h2-4,7-12H2,1H3/q+1
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7.37E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223165
PNG
(5-methyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]is...)
Show SMILES Cc1cc(OCC#CC[N+]2(C)CCCC2)no1
Show InChI InChI=1S/C13H19N2O2/c1-12-11-13(14-17-12)16-10-6-5-9-15(2)7-3-4-8-15/h11H,3-4,7-10H2,1-2H3/q+1
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7.39E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50223165
PNG
(5-methyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]is...)
Show SMILES Cc1cc(OCC#CC[N+]2(C)CCCC2)no1
Show InChI InChI=1S/C13H19N2O2/c1-12-11-13(14-17-12)16-10-6-5-9-15(2)7-3-4-8-15/h11H,3-4,7-10H2,1-2H3/q+1
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7.51E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223165
PNG
(5-methyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]is...)
Show SMILES Cc1cc(OCC#CC[N+]2(C)CCCC2)no1
Show InChI InChI=1S/C13H19N2O2/c1-12-11-13(14-17-12)16-10-6-5-9-15(2)7-3-4-8-15/h11H,3-4,7-10H2,1-2H3/q+1
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PubMed
7.68E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
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