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PubMed code 15225708

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
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))		BDBM50076091
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[2-((2R,6S)-1,6-Dimethyl...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CC[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H37NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h14-21H,4-13H2,1-3H3/t14-,15-,16+,17+,18-,19+,20-,21+/m0/s1
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 4.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M2 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50076089
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[2-((R)-1-methy...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+/m0/s1
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 4.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M2 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50149715
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(S)-1-Hydroxy-2-(1,5,5-...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3C(CCC3CCC(C)(C)N3C)[C@@H]12
Show InChI InChI=1S/C22H37NO2/c1-14-20-18(10-9-16-11-12-22(2,3)23(16)4)17-8-6-5-7-15(17)13-19(20)21(24)25-14/h14-20H,5-13H2,1-4H3/t14-,15+,16?,17-,18?,19-,20+/m0/s1
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 12.2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M2 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50149716
PNG
((3S,3aS,4aS,8aR,9aS)-4-[2-((2R,6S)-1,6-Dimethyl-pi...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3\C(=C\C[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h12,14-18,20-21H,4-11,13H2,1-3H3/b19-12-/t14-,15-,16+,17+,18-,20-,21+/m0/s1
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 13.3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M2 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50149713
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((2R,6S)-1,6-Dime...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CC[C@H]3CCC[C@H](C)N3)[C@@H]12
Show InChI InChI=1S/C21H35NO2/c1-13-6-5-8-16(22-13)10-11-18-17-9-4-3-7-15(17)12-19-20(18)14(2)24-21(19)23/h13-20,22H,3-12H2,1-2H3/t13-,14-,15+,16+,17-,18+,19-,20+/m0/s1
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 16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M2 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50076091
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[2-((2R,6S)-1,6-Dimethyl...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CC[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H37NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h14-21H,4-13H2,1-3H3/t14-,15-,16+,17+,18-,19+,20-,21+/m0/s1
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 32n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M1 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50149726
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(S)-1-Hydroxy-2-(1,5,5-...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3\C(=C\CC3CCC(C)(C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-20-18(10-9-16-11-12-22(2,3)23(16)4)17-8-6-5-7-15(17)13-19(20)21(24)25-14/h10,14-17,19-20H,5-9,11-13H2,1-4H3/b18-10-/t14-,15+,16?,17-,19-,20+/m0/s1
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 43n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M2 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50076089
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[2-((R)-1-methy...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+/m0/s1
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 48n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M1 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50149716
PNG
((3S,3aS,4aS,8aR,9aS)-4-[2-((2R,6S)-1,6-Dimethyl-pi...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3\C(=C\C[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h12,14-18,20-21H,4-11,13H2,1-3H3/b19-12-/t14-,15-,16+,17+,18-,20-,21+/m0/s1
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 65.9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M1 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50149725
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(S)-1-Hydroxy-2-(1,5,5-...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3\C(=C\CC3CCC(C)(C)N3C)[C@@H]12 |t:6|
Show InChI InChI=1S/C22H33NO2/c1-14-20-18(10-9-16-11-12-22(2,3)23(16)4)17-8-6-5-7-15(17)13-19(20)21(24)25-14/h10,13-14,16-17,19-20H,5-9,11-12H2,1-4H3/b18-10-/t14-,16?,17-,19-,20+/m0/s1
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 68n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M2 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50149713
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((2R,6S)-1,6-Dime...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CC[C@H]3CCC[C@H](C)N3)[C@@H]12
Show InChI InChI=1S/C21H35NO2/c1-13-6-5-8-16(22-13)10-11-18-17-9-4-3-7-15(17)12-19-20(18)14(2)24-21(19)23/h13-20,22H,3-12H2,1-2H3/t13-,14-,15+,16+,17-,18+,19-,20+/m0/s1
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 68n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M1 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50149715
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(S)-1-Hydroxy-2-(1,5,5-...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3C(CCC3CCC(C)(C)N3C)[C@@H]12
Show InChI InChI=1S/C22H37NO2/c1-14-20-18(10-9-16-11-12-22(2,3)23(16)4)17-8-6-5-7-15(17)13-19(20)21(24)25-14/h14-20H,5-13H2,1-4H3/t14-,15+,16?,17-,18?,19-,20+/m0/s1
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 122n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M1 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50149725
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(S)-1-Hydroxy-2-(1,5,5-...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3\C(=C\CC3CCC(C)(C)N3C)[C@@H]12 |t:6|
Show InChI InChI=1S/C22H33NO2/c1-14-20-18(10-9-16-11-12-22(2,3)23(16)4)17-8-6-5-7-15(17)13-19(20)21(24)25-14/h10,13-14,16-17,19-20H,5-9,11-12H2,1-4H3/b18-10-/t14-,16?,17-,19-,20+/m0/s1
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 177n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M1 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50149724
PNG
((S)-6,6,7-Trimethyl-2-((3S,3aR,4R,4aR,9aS)-3-methy...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3CC4CCC(C)(C)[N+]4(C)O3)[C@@H]12 |t:6|
Show InChI InChI=1S/C22H34NO3/c1-13-19-17(21(24)25-13)11-14-7-5-6-8-16(14)20(19)18-12-15-9-10-22(2,3)23(15,4)26-18/h11,13,15-20H,5-10,12H2,1-4H3/q+1/t13-,15?,16-,17-,18-,19-,20-,23?/m0/s1
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 180n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M2 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50149723
PNG
((1S,4aR,5S,9aS)-4-[2-((2R,6S)-1,6-Dimethyl-piperid...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@H]([C@@H]12)C(=O)C[C@H]1CCC[C@H](C)N1C
Show InChI InChI=1S/C22H35NO3/c1-13-7-6-9-16(23(13)3)12-19(24)21-17-10-5-4-8-15(17)11-18-20(21)14(2)26-22(18)25/h13-18,20-21H,4-12H2,1-3H3/t13-,14-,15+,16+,17-,18-,20-,21-/m0/s1
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 203n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M2 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50149726
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(S)-1-Hydroxy-2-(1,5,5-...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3\C(=C\CC3CCC(C)(C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-20-18(10-9-16-11-12-22(2,3)23(16)4)17-8-6-5-7-15(17)13-19(20)21(24)25-14/h10,14-17,19-20H,5-9,11-13H2,1-4H3/b18-10-/t14-,15+,16?,17-,19-,20+/m0/s1
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 418n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M1 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50149717
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(S)-1-Hydroxy-2-(1,5,5-...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3\C(=C\CC3CCC(C)(C)[N+]3(C)C)[C@@H]12 |t:6|
Show InChI InChI=1S/C23H36NO2/c1-15-21-19(11-10-17-12-13-23(2,3)24(17,4)5)18-9-7-6-8-16(18)14-20(21)22(25)26-15/h11,14-15,17-18,20-21H,6-10,12-13H2,1-5H3/q+1/b19-11-/t15-,17?,18-,20-,21+/m0/s1
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 446n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M1 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50149722
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(S)-1-Hydroxy-2-(1,5,5-...)
Show SMILES CCN1C(CCC2[C@H]3[C@H](C)OC(=O)[C@H]3C[C@H]3CCCC[C@H]23)CCC1(C)C
Show InChI InChI=1S/C23H39NO2/c1-5-24-17(12-13-23(24,3)4)10-11-19-18-9-7-6-8-16(18)14-20-21(19)15(2)26-22(20)25/h15-21H,5-14H2,1-4H3/t15-,16+,17?,18-,19?,20-,21+/m0/s1
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 449n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M2 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50149717
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(S)-1-Hydroxy-2-(1,5,5-...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3\C(=C\CC3CCC(C)(C)[N+]3(C)C)[C@@H]12 |t:6|
Show InChI InChI=1S/C23H36NO2/c1-15-21-19(11-10-17-12-13-23(2,3)24(17,4)5)18-9-7-6-8-16(18)14-20(21)22(25)26-15/h11,14-15,17-18,20-21H,6-10,12-13H2,1-5H3/q+1/b19-11-/t15-,17?,18-,20-,21+/m0/s1
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 571n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M2 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50149719
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(S)-1-Hydroxy-2-(1,5,5-...)
Show SMILES CCN1C(C\C=C2/[C@H]3[C@H](C)OC(=O)[C@H]3C=C3CCCC[C@H]23)CCC1(C)C |t:15|
Show InChI InChI=1S/C23H35NO2/c1-5-24-17(12-13-23(24,3)4)10-11-19-18-9-7-6-8-16(18)14-20-21(19)15(2)26-22(20)25/h11,14-15,17-18,20-21H,5-10,12-13H2,1-4H3/b19-11-/t15-,17?,18-,20-,21+/m0/s1
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 640n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M1 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50149724
PNG
((S)-6,6,7-Trimethyl-2-((3S,3aR,4R,4aR,9aS)-3-methy...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3CC4CCC(C)(C)[N+]4(C)O3)[C@@H]12 |t:6|
Show InChI InChI=1S/C22H34NO3/c1-13-19-17(21(24)25-13)11-14-7-5-6-8-16(14)20(19)18-12-15-9-10-22(2,3)23(15,4)26-18/h11,13,15-20H,5-10,12H2,1-4H3/q+1/t13-,15?,16-,17-,18-,19-,20-,23?/m0/s1
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 790n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M1 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50149722
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(S)-1-Hydroxy-2-(1,5,5-...)
Show SMILES CCN1C(CCC2[C@H]3[C@H](C)OC(=O)[C@H]3C[C@H]3CCCC[C@H]23)CCC1(C)C
Show InChI InChI=1S/C23H39NO2/c1-5-24-17(12-13-23(24,3)4)10-11-19-18-9-7-6-8-16(18)14-20-21(19)15(2)26-22(20)25/h15-21H,5-14H2,1-4H3/t15-,16+,17?,18-,19?,20-,21+/m0/s1
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 811n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M1 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50149720
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((2S,6S)-1,6-Dime...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17-,18-,19+,20-,21+/m0/s1
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>1.40E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M1 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50149714
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(S)-1-Hydroxy-2-((R)-1,...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H]([C@@H](O)C[C@H]3CCC(C)(C)N3C)[C@@H]12
Show InChI InChI=1S/C22H37NO3/c1-13-19-17(21(25)26-13)11-14-7-5-6-8-16(14)20(19)18(24)12-15-9-10-22(2,3)23(15)4/h13-20,24H,5-12H2,1-4H3/t13-,14+,15+,16-,17-,18-,19-,20-/m0/s1
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>1.40E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M2 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50149721
PNG
((3S,3aR,4R,4aR,9aS)-4-((S)-6,6-Dimethyl-hexahydro-...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3CC4CCC(C)(C)N4O3)[C@@H]12 |t:6|
Show InChI InChI=1S/C21H31NO3/c1-12-18-16(20(23)24-12)10-13-6-4-5-7-15(13)19(18)17-11-14-8-9-21(2,3)22(14)25-17/h10,12,14-19H,4-9,11H2,1-3H3/t12-,14?,15-,16-,17-,18-,19-/m0/s1
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>1.40E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M1 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50149718
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[(E)-2-((2S,6S)...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@@H]3CCC[C@H](C)N3)[C@@H]12
Show InChI InChI=1S/C21H33NO2/c1-13-6-5-8-16(22-13)10-11-18-17-9-4-3-7-15(17)12-19-20(18)14(2)24-21(19)23/h10-11,13-20,22H,3-9,12H2,1-2H3/b11-10+/t13-,14-,15+,16-,17-,18+,19-,20+/m0/s1
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>1.40E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M2 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50149721
PNG
((3S,3aR,4R,4aR,9aS)-4-((S)-6,6-Dimethyl-hexahydro-...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3CC4CCC(C)(C)N4O3)[C@@H]12 |t:6|
Show InChI InChI=1S/C21H31NO3/c1-12-18-16(20(23)24-12)10-13-6-4-5-7-15(13)19(18)17-11-14-8-9-21(2,3)22(14)25-17/h10,12,14-19H,4-9,11H2,1-3H3/t12-,14?,15-,16-,17-,18-,19-/m0/s1
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>1.40E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M2 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50149720
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((2S,6S)-1,6-Dime...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17-,18-,19+,20-,21+/m0/s1
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>1.40E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M2 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50149719
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(S)-1-Hydroxy-2-(1,5,5-...)
Show SMILES CCN1C(C\C=C2/[C@H]3[C@H](C)OC(=O)[C@H]3C=C3CCCC[C@H]23)CCC1(C)C |t:15|
Show InChI InChI=1S/C23H35NO2/c1-5-24-17(12-13-23(24,3)4)10-11-19-18-9-7-6-8-16(18)14-20-21(19)15(2)26-22(20)25/h11,14-15,17-18,20-21H,5-10,12-13H2,1-4H3/b19-11-/t15-,17?,18-,20-,21+/m0/s1
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>1.40E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M2 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50149714
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(S)-1-Hydroxy-2-((R)-1,...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H]([C@@H](O)C[C@H]3CCC(C)(C)N3C)[C@@H]12
Show InChI InChI=1S/C22H37NO3/c1-13-19-17(21(25)26-13)11-14-7-5-6-8-16(14)20(19)18(24)12-15-9-10-22(2,3)23(15)4/h13-20,24H,5-12H2,1-4H3/t13-,14+,15+,16-,17-,18-,19-,20-/m0/s1
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>1.40E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M1 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50149718
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[(E)-2-((2S,6S)...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@@H]3CCC[C@H](C)N3)[C@@H]12
Show InChI InChI=1S/C21H33NO2/c1-13-6-5-8-16(22-13)10-11-18-17-9-4-3-7-15(17)12-19-20(18)14(2)24-21(19)23/h10-11,13-20,22H,3-9,12H2,1-2H3/b11-10+/t13-,14-,15+,16-,17-,18+,19-,20+/m0/s1
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>1.40E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M1 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50149723
PNG
((1S,4aR,5S,9aS)-4-[2-((2R,6S)-1,6-Dimethyl-piperid...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@H]([C@@H]12)C(=O)C[C@H]1CCC[C@H](C)N1C
Show InChI InChI=1S/C22H35NO3/c1-13-7-6-9-16(23(13)3)12-19(24)21-17-10-5-4-8-15(17)11-18-20(21)14(2)26-22(18)25/h13-18,20-21H,4-12H2,1-3H3/t13-,14-,15+,16+,17-,18-,20-,21-/m0/s1
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 1.57E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M1 muscarinic receptor

Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%