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Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with all data for entry = 50028523   
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))		BDBM50267614
PNG
(4-[Hydroxy(diphenyl)methyl]-1-{2-[(phenylmethyl)ox...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1
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 0.0600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M3 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267573
PNG
(4-[Hydroxy(diphenyl)methyl]-1-[3-(phenyloxy)propyl...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(25-11-4-1-5-12-25,26-13-6-2-7-14-26)28-17-21-30(22-18-28,23-19-28)20-10-24-32-27-15-8-3-9-16-27/h1-9,11-16,31H,10,17-24H2/q+1
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 0.130n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M3 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50267614
PNG
(4-[Hydroxy(diphenyl)methyl]-1-{2-[(phenylmethyl)ox...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1
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 0.150n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M2 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50267614
PNG
(4-[Hydroxy(diphenyl)methyl]-1-{2-[(phenylmethyl)ox...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1
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 0.160n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M1 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50267573
PNG
(4-[Hydroxy(diphenyl)methyl]-1-[3-(phenyloxy)propyl...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(25-11-4-1-5-12-25,26-13-6-2-7-14-26)28-17-21-30(22-18-28,23-19-28)20-10-24-32-27-15-8-3-9-16-27/h1-9,11-16,31H,10,17-24H2/q+1
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 0.640n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M1 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50267573
PNG
(4-[Hydroxy(diphenyl)methyl]-1-[3-(phenyloxy)propyl...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(25-11-4-1-5-12-25,26-13-6-2-7-14-26)28-17-21-30(22-18-28,23-19-28)20-10-24-32-27-15-8-3-9-16-27/h1-9,11-16,31H,10,17-24H2/q+1
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 0.940n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M2 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267611
PNG
(4-[Hydroxy(diphenyl)methyl]-1-[4-(phenyloxy)butyl]...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCCOc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C30H36NO2/c32-30(26-12-4-1-5-13-26,27-14-6-2-7-15-27)29-18-22-31(23-19-29,24-20-29)21-10-11-25-33-28-16-8-3-9-17-28/h1-9,12-17,32H,10-11,18-25H2/q+1
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n/an/a 9.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267614
PNG
(4-[Hydroxy(diphenyl)methyl]-1-{2-[(phenylmethyl)ox...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50003641
PNG
(CHEMBL476434)
Show SMILES [Br-].Cc1cccc(COCC[N+]23CCC(CC2)(CC3)C(O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C30H36NO2.BrH/c1-25-9-8-10-26(23-25)24-33-22-21-31-18-15-29(16-19-31,17-20-31)30(32,27-11-4-2-5-12-27)28-13-6-3-7-14-28;/h2-14,23,32H,15-22,24H2,1H3;1H/q+1;/p-1
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50003628
PNG
(CHEMBL522418)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C28H32NO2.BrH/c30-28(24-10-4-1-5-11-24,25-12-6-2-7-13-25)27-16-19-29(20-17-27,21-18-27)22-23-31-26-14-8-3-9-15-26;/h1-15,30H,16-23H2;1H/q+1;/p-1
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50003633
PNG
(CHEMBL490243)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)C2
Show InChI InChI=1S/C28H32NO2.BrH/c30-28(25-12-6-2-7-13-25,26-14-8-3-9-15-26)27-16-18-29(23-27,19-17-27)20-21-31-22-24-10-4-1-5-11-24;/h1-15,30H,16-23H2;1H/q+1;/p-1
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50003636
PNG
(CHEMBL490244)
Show SMILES [Br-].N#CC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)C2
Show InChI InChI=1S/C29H31N2O.BrH/c30-23-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-18-31(24-28,19-17-28)20-21-32-22-25-10-4-1-5-11-25;/h1-15H,16-22,24H2;1H/q+1;/p-1
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50003638
PNG
(CHEMBL519652)
Show SMILES [Br-].COc1cccc(COCC[N+]23CCC(CC2)(CC3)C(O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C30H36NO3.BrH/c1-33-28-14-8-9-25(23-28)24-34-22-21-31-18-15-29(16-19-31,17-20-31)30(32,26-10-4-2-5-11-26)27-12-6-3-7-13-27;/h2-14,23,32H,15-22,24H2,1H3;1H/q+1;/p-1
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50003639
PNG
(CHEMBL484475)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C30H36NO.BrH/c32-30(27-15-6-2-7-16-27,28-17-8-3-9-18-28)29-19-23-31(24-20-29,25-21-29)22-11-10-14-26-12-4-1-5-13-26;/h1-9,12-13,15-18,32H,10-11,14,19-25H2;1H/q+1;/p-1
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50003623
PNG
(CHEMBL522081)
Show SMILES [Br-].OC(c1ccc(F)cc1)(c1ccc(F)cc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H32F2NO2.BrH/c30-26-10-6-24(7-11-26)29(33,25-8-12-27(31)13-9-25)28-14-17-32(18-15-28,19-16-28)20-21-34-22-23-4-2-1-3-5-23;/h1-13,33H,14-22H2;1H/q+1;/p-1
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50003625
PNG
(CHEMBL490237)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3F)(CC1)CC2
Show InChI InChI=1S/C29H33FNO2.BrH/c30-27-14-8-7-9-24(27)23-33-22-21-31-18-15-28(16-19-31,17-20-31)29(32,25-10-3-1-4-11-25)26-12-5-2-6-13-26;/h1-14,32H,15-23H2;1H/q+1;/p-1
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50003632
PNG
(CHEMBL490242)
Show SMILES [Br-].N#CC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C30H33N2O.BrH/c31-25-30(27-12-6-2-7-13-27,28-14-8-3-9-15-28)29-16-19-32(20-17-29,21-18-29)22-23-33-24-26-10-4-1-5-11-26;/h1-15H,16-24H2;1H/q+1;/p-1
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50003640
PNG
(CHEMBL489625)
Show SMILES [Br-].OC(c1cccc(F)c1)(c1cccc(F)c1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H32F2NO2.BrH/c30-26-10-4-8-24(20-26)29(33,25-9-5-11-27(31)21-25)28-12-15-32(16-13-28,17-14-28)18-19-34-22-23-6-2-1-3-7-23;/h1-11,20-21,33H,12-19,22H2;1H/q+1;/p-1
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267573
PNG
(4-[Hydroxy(diphenyl)methyl]-1-[3-(phenyloxy)propyl...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(25-11-4-1-5-12-25,26-13-6-2-7-14-26)28-17-21-30(22-18-28,23-19-28)20-10-24-32-27-15-8-3-9-16-27/h1-9,11-16,31H,10,17-24H2/q+1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50003630
PNG
(CHEMBL523598)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccc(cc3)C#N)(CC1)CC2
Show InChI InChI=1S/C30H33N2O2.BrH/c31-23-25-11-13-26(14-12-25)24-34-22-21-32-18-15-29(16-19-32,17-20-32)30(33,27-7-3-1-4-8-27)28-9-5-2-6-10-28;/h1-14,33H,15-22,24H2;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50003626
PNG
(CHEMBL489211)
Show SMILES [Br-].Cc1ccc(COCC[N+]23CCC(CC2)(CC3)C(O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H36NO2.BrH/c1-25-12-14-26(15-13-25)24-33-23-22-31-19-16-29(17-20-31,18-21-31)30(32,27-8-4-2-5-9-27)28-10-6-3-7-11-28;/h2-15,32H,16-24H2,1H3;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50003635
PNG
(CHEMBL521781)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccc(F)cc3)(CC1)CC2
Show InChI InChI=1S/C29H33FNO2.BrH/c30-27-13-11-24(12-14-27)23-33-22-21-31-18-15-28(16-19-31,17-20-31)29(32,25-7-3-1-4-8-25)26-9-5-2-6-10-26;/h1-14,32H,15-23H2;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50003637
PNG
(CHEMBL523474)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccc(Cl)cc3)(CC1)CC2
Show InChI InChI=1S/C29H33ClNO2.BrH/c30-27-13-11-24(12-14-27)23-33-22-21-31-18-15-28(16-19-31,17-20-31)29(32,25-7-3-1-4-8-25)26-9-5-2-6-10-26;/h1-14,32H,15-23H2;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50003629
PNG
(CHEMBL489212)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3cccc(F)c3)(CC1)CC2
Show InChI InChI=1S/C29H33FNO2.BrH/c30-27-13-7-8-24(22-27)23-33-21-20-31-17-14-28(15-18-31,16-19-31)29(32,25-9-3-1-4-10-25)26-11-5-2-6-12-26;/h1-13,22,32H,14-21,23H2;1H/q+1;/p-1
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50003631
PNG
(CHEMBL523957)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccc(Br)cc3)(CC1)CC2
Show InChI InChI=1S/C29H33BrNO2.BrH/c30-27-13-11-24(12-14-27)23-33-22-21-31-18-15-28(16-19-31,17-20-31)29(32,25-7-3-1-4-8-25)26-9-5-2-6-10-26;/h1-14,32H,15-23H2;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50003622
PNG
(CHEMBL524119)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3cccc(Br)c3)(CC1)CC2
Show InChI InChI=1S/C29H33BrNO2.BrH/c30-27-13-7-8-24(22-27)23-33-21-20-31-17-14-28(15-18-31,16-19-31)29(32,25-9-3-1-4-10-25)26-11-5-2-6-12-26;/h1-13,22,32H,14-21,23H2;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267812
PNG
(4-{Hydroxy[bis(4-methylphenyl)]methyl}-1-{2-[(phen...)
Show SMILES Cc1ccc(cc1)C(O)(c1ccc(C)cc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C31H38NO2/c1-25-8-12-28(13-9-25)31(33,29-14-10-26(2)11-15-29)30-16-19-32(20-17-30,21-18-30)22-23-34-24-27-6-4-3-5-7-27/h3-15,33H,16-24H2,1-2H3/q+1
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n/an/a 1.20E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267684
PNG
(4-[Hydroxy(diphenyl)methyl]-1-(2-{[(2-methylphenyl...)
Show SMILES Cc1ccccc1COCC[N+]12CCC(CC1)(CC2)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H36NO2/c1-25-10-8-9-11-26(25)24-33-23-22-31-19-16-29(17-20-31,18-21-31)30(32,27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-15,32H,16-24H2,1H3/q+1
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n/an/a 1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267809
PNG
(4-(Hydroxy{bis[3-(methyloxy)phenyl]}methyl)-1-{2-[...)
Show SMILES COc1cccc(c1)C(O)(c1cccc(OC)c1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C31H38NO4/c1-34-28-12-6-10-26(22-28)31(33,27-11-7-13-29(23-27)35-2)30-14-17-32(18-15-30,19-16-30)20-21-36-24-25-8-4-3-5-9-25/h3-13,22-23,33H,14-21,24H2,1-2H3/q+1
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n/an/a 1.70E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267765
PNG
(1-(2-{[(2-Bromophenyl)methyl]oxy}ethyl)-4-[hydroxy...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3Br)(CC1)CC2
Show InChI InChI=1S/C29H33BrNO2/c30-27-14-8-7-9-24(27)23-33-22-21-31-18-15-28(16-19-31,17-20-31)29(32,25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-14,32H,15-23H2/q+1
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n/an/a 2.20E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267533
PNG
(4-[Hydroxy(diphenyl)methyl]-1-[2-(methyloxy)ethyl]...)
Show SMILES COCC[N+]12CCC(CC1)(CC2)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H30NO2/c1-26-19-18-24-15-12-22(13-16-24,14-17-24)23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,25H,12-19H2,1H3/q+1
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n/an/a 3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267811
PNG
(4-(Hydroxy{bis[4-(methyloxy)phenyl]}methyl)-1-{2-[...)
Show SMILES COc1ccc(cc1)C(O)(c1ccc(OC)cc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C31H38NO4/c1-34-28-12-8-26(9-13-28)31(33,27-10-14-29(35-2)15-11-27)30-16-19-32(20-17-30,21-18-30)22-23-36-24-25-6-4-3-5-7-25/h3-15,33H,16-24H2,1-2H3/q+1
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n/an/a 3.60E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267649
PNG
(1-[2-({[4-(1,1-Dimethylethyl)phenyl]methyl}oxy)eth...)
Show SMILES CC(C)(C)c1ccc(COCC[N+]23CCC(CC2)(CC3)C(O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C33H42NO2/c1-31(2,3)28-16-14-27(15-17-28)26-36-25-24-34-21-18-32(19-22-34,20-23-34)33(35,29-10-6-4-7-11-29)30-12-8-5-9-13-30/h4-17,35H,18-26H2,1-3H3/q+1
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n/an/a 3.90E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267472
PNG
(4-[Hydroxy(diphenyl)methyl]-1-(2-phenylethyl)-1-az...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C28H32NO/c30-28(25-12-6-2-7-13-25,26-14-8-3-9-15-26)27-17-21-29(22-18-27,23-19-27)20-16-24-10-4-1-5-11-24/h1-15,30H,16-23H2/q+1
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n/an/a 8.70E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267530
PNG
(1-Ethyl-4-[hydroxy(diphenyl)methyl]-1-azoniabicycl...)
Show SMILES CC[N+]12CCC(CC1)(CC2)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H28NO/c1-2-23-16-13-21(14-17-23,15-18-23)22(24,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,24H,2,13-18H2,1H3/q+1
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n/an/a 1.04E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267471
PNG
(3-(2-Hydroxy-2,2-diphenylethyl)-1-(2-phenylethyl)-...)
Show SMILES OC(CC1C[N+]2(CCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(27.38,-21.98,;28.16,-23.31,;26.82,-24.08,;25.49,-23.31,;25.49,-21.76,;24.14,-20.98,;24.12,-19.44,;25.45,-18.65,;25.44,-17.11,;26.77,-16.33,;26.75,-14.79,;25.41,-14.03,;24.07,-14.82,;24.1,-16.36,;22.8,-21.76,;22.8,-23.31,;24.14,-24.08,;24.79,-22.79,;23.51,-22.15,;29.48,-22.53,;30.82,-23.29,;32.14,-22.51,;32.13,-20.97,;30.78,-20.21,;29.46,-21,;28.92,-24.64,;28.14,-25.96,;28.9,-27.28,;30.43,-27.29,;31.19,-25.96,;30.43,-24.64,)|
Show InChI InChI=1S/C29H34NO/c31-29(27-12-6-2-7-13-27,28-14-8-3-9-15-28)22-26-23-30(20-17-25(26)18-21-30)19-16-24-10-4-1-5-11-24/h1-15,25-26,31H,16-23H2/q+1
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n/an/a 1.22E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267532
PNG
(1-Butyl-4-[hydroxy(diphenyl)methyl]-1-azoniabicycl...)
Show SMILES CCCC[N+]12CCC(CC1)(CC2)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H32NO/c1-2-3-17-25-18-14-23(15-19-25,16-20-25)24(26,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,26H,2-3,14-20H2,1H3/q+1
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n/an/a 1.35E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267392
PNG
(2-(1-Azabicyclo[2.2.2]oct-3-yl)-1,1-diphenylethano...)
Show SMILES OC(CC1C[NH+]2CCC1CC2)(c1ccccc1)c1ccccc1 |(-5.84,-18.12,;-5.06,-19.46,;-6.4,-20.23,;-7.74,-19.46,;-7.74,-17.9,;-9.09,-17.12,;-10.42,-17.9,;-10.42,-19.46,;-9.09,-20.23,;-8.43,-18.93,;-9.72,-18.3,;-3.74,-18.68,;-2.39,-19.44,;-1.07,-18.65,;-1.08,-17.11,;-2.44,-16.36,;-3.76,-17.14,;-4.3,-20.79,;-5.08,-22.11,;-4.32,-23.44,;-2.79,-23.44,;-2.02,-22.11,;-2.78,-20.79,)|
Show InChI InChI=1S/C21H25NO/c23-21(19-7-3-1-4-8-19,20-9-5-2-6-10-20)15-18-16-22-13-11-17(18)12-14-22/h1-10,17-18,23H,11-16H2/p+1
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n/an/a 1.45E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267531
PNG
(4-[Hydroxy(diphenyl)methyl]-1-propyl-1-azoniabicyc...)
Show SMILES CCC[N+]12CCC(CC1)(CC2)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H30NO/c1-2-16-24-17-13-22(14-18-24,15-19-24)23(25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,25H,2,13-19H2,1H3/q+1
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n/an/a 2.08E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267647
PNG
(4-[Hydroxy(diphenyl)methyl]-1-[5-(phenyloxy)pentyl...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCCCOc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C31H38NO2/c33-31(27-13-5-1-6-14-27,28-15-7-2-8-16-28)30-19-23-32(24-20-30,25-21-30)22-11-4-12-26-34-29-17-9-3-10-18-29/h1-3,5-10,13-18,33H,4,11-12,19-26H2/q+1
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n/an/a 3.06E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267572
PNG
(4-[Hydroxy(diphenyl)methyl]-1-(2-hydroxyethyl)-1-a...)
Show SMILES OCC[N+]12CCC(CC1)(CC2)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H28NO2/c24-18-17-23-14-11-21(12-15-23,13-16-23)22(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,24-25H,11-18H2/q+1
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n/an/a 4.86E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267613
PNG
(4-[Hydroxy(diphenyl)methyl]-1-[3-(methyloxy)propyl...)
Show SMILES COCCC[N+]12CCC(CC1)(CC2)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H32NO2/c1-27-20-8-16-25-17-13-23(14-18-25,15-19-25)24(26,21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12,26H,8,13-20H2,1H3/q+1
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n/an/a 8.29E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267571
PNG
(CHEMBL489032 | [1-(2-Aminoethyl)-1-azoniabicyclo[2...)
Show SMILES NCC[N+]12CCC(CC1)(CC2)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H29N2O/c23-14-18-24-15-11-21(12-16-24,13-17-24)22(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,25H,11-18,23H2/q+1
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n/an/a 8.50E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267473
PNG
(4-[Hydroxy(diphenyl)methyl]-1-methyl-1-azoniabicyc...)
Show SMILES C[N+]12CCC(CC1)(CC2)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO/c1-22-15-12-20(13-16-22,14-17-22)21(23,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,23H,12-17H2,1H3/q+1
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n/an/a 9.35E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267391
PNG
(4-(hydroxydiphenylmethyl)-1-azoniabicyclo[2.2.2]oc...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[NH+](CC1)CC2
Show InChI InChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-11-14-21(15-12-19)16-13-19/h1-10,22H,11-16H2/p+1
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n/an/a 1.07E+6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267390
PNG
(3-(hydroxydiphenylmethyl)-1-azoniabicyclo[2.2.2]oc...)
Show SMILES OC(C1C[NH+]2CCC1CC2)(c1ccccc1)c1ccccc1 |(9.93,.18,;9.15,-1.16,;7.82,-.39,;7.82,1.17,;6.47,1.95,;5.14,1.17,;5.14,-.39,;6.47,-1.16,;7.13,.14,;5.84,.77,;8.39,-2.5,;6.85,-2.5,;6.08,-3.84,;6.86,-5.17,;8.41,-5.16,;9.17,-3.82,;10.48,-1.93,;10.47,-3.46,;11.79,-4.23,;13.12,-3.47,;13.12,-1.93,;11.8,-1.17,)|
Show InChI InChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,16,19,22H,11-15H2/p+1
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n/an/a 1.10E+6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267529
PNG
(1-(Cyclopropylmethyl)-4-[hydroxy(diphenyl)methyl]-...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CC3CC3)(CC1)CC2
Show InChI InChI=1S/C24H30NO/c26-24(21-7-3-1-4-8-21,22-9-5-2-6-10-22)23-13-16-25(17-14-23,18-15-23)19-20-11-12-20/h1-10,20,26H,11-19H2/q+1
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n/an/a 1.96E+6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267470
PNG
(3-[Hydroxy(diphenyl)methyl]-1-(2-phenylethyl)-1-az...)
Show SMILES OC(C1C[N+]2(CCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(10.91,-21.64,;10.13,-22.98,;8.8,-22.2,;8.8,-20.65,;7.46,-19.87,;7.44,-18.33,;8.77,-17.55,;8.75,-16.01,;10.08,-15.23,;10.07,-13.69,;8.72,-12.93,;7.39,-13.72,;7.41,-15.26,;6.12,-20.65,;6.12,-22.2,;7.46,-22.97,;8.11,-21.68,;6.82,-21.05,;9.37,-24.32,;7.83,-24.32,;7.07,-25.65,;7.85,-26.99,;9.4,-26.97,;10.15,-25.63,;11.46,-23.75,;11.45,-25.28,;12.77,-26.05,;14.1,-25.28,;14.1,-23.75,;12.78,-22.99,)|
Show InChI InChI=1S/C28H32NO/c30-28(25-12-6-2-7-13-25,26-14-8-3-9-15-26)27-22-29(20-17-24(27)18-21-29)19-16-23-10-4-1-5-11-23/h1-15,24,27,30H,16-22H2/q+1
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n/an/a 2.82E+6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267727
PNG
(1-(2-{[(2-Cyanophenyl)methyl]oxy}ethyl)-4-[hydroxy...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3C#N)(CC1)CC2
Show InChI InChI=1S/C30H33N2O2/c31-23-25-9-7-8-10-26(25)24-34-22-21-32-18-15-29(16-19-32,17-20-32)30(33,27-11-3-1-4-12-27)28-13-5-2-6-14-28/h1-14,33H,15-22,24H2/q+1
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n/an/a 5.40E+6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50267389
PNG
(2-(hydroxydiphenylmethyl)-1-azoniabicyclo[2.2.2]oc...)
Show SMILES OC(C1CC2CC[NH+]1CC2)(c1ccccc1)c1ccccc1 |(-4.05,-3.64,;-4.83,-2.31,;-6.17,-3.08,;-6.17,-4.63,;-7.51,-5.4,;-8.84,-4.63,;-8.84,-3.08,;-7.51,-2.3,;-8.14,-3.48,;-6.86,-4.11,;-3.51,-1.53,;-2.18,-2.29,;-.85,-1.51,;-.87,.02,;-2.22,.78,;-3.53,-.01,;-5.6,-.98,;-4.83,.35,;-5.6,1.69,;-7.14,1.69,;-7.91,.35,;-7.14,-.98,)|
Show InChI InChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-15-16-11-13-21(19)14-12-16/h1-10,16,19,22H,11-15H2/p+1
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n/an/a 6.60E+6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...

J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
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