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Compile Data Set for Download or QSAR

Found 161 hits with Last Name = 'lucas' and Initial = 'aj'   
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))
BDBM50416151
PNG
(CHEMBL1084850)
Show SMILES OC(CCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1
Show InChI InChI=1S/C20H24ClNO/c21-17-5-3-4-16(14-17)18-6-1-2-7-19(18)20(23)9-8-15-10-12-22-13-11-15/h1-7,14-15,20,22-23H,8-13H2
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416152
PNG
(CHEMBL1084851)
Show SMILES Clc1cccc(c1)-c1ccccc1\C=C\CC1CCNCC1
Show InChI InChI=1S/C20H22ClN/c21-19-9-4-8-18(15-19)20-10-2-1-6-17(20)7-3-5-16-11-13-22-14-12-16/h1-4,6-10,15-16,22H,5,11-14H2/b7-3+
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n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416164
PNG
(CHEMBL1083402)
Show SMILES Clc1cccc(c1)-c1ccccc1S(=O)(=O)CCC1CCNCC1
Show InChI InChI=1S/C19H22ClNO2S/c20-17-5-3-4-16(14-17)18-6-1-2-7-19(18)24(22,23)13-10-15-8-11-21-12-9-15/h1-7,14-15,21H,8-13H2
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n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416141
PNG
(CHEMBL1083925)
Show SMILES C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClFN2O/c1-13-11-23-9-8-15(13)12-24-20(25)19-17(6-3-7-18(19)22)14-4-2-5-16(21)10-14/h2-7,10,13,15,23H,8-9,11-12H2,1H3,(H,24,25)/t13-,15+/m0/s1
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n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416159
PNG
(CHEMBL1084804)
Show SMILES Clc1cccc(c1)-c1ccccc1CC(=O)NC1CCNCC1
Show InChI InChI=1S/C19H21ClN2O/c20-16-6-3-5-14(12-16)18-7-2-1-4-15(18)13-19(23)22-17-8-10-21-11-9-17/h1-7,12,17,21H,8-11,13H2,(H,22,23)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50416141
PNG
(CHEMBL1083925)
Show SMILES C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClFN2O/c1-13-11-23-9-8-15(13)12-24-20(25)19-17(6-3-7-18(19)22)14-4-2-5-16(21)10-14/h2-7,10,13,15,23H,8-9,11-12H2,1H3,(H,24,25)/t13-,15+/m0/s1
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50416141
PNG
(CHEMBL1083925)
Show SMILES C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClFN2O/c1-13-11-23-9-8-15(13)12-24-20(25)19-17(6-3-7-18(19)22)14-4-2-5-16(21)10-14/h2-7,10,13,15,23H,8-9,11-12H2,1H3,(H,24,25)/t13-,15+/m0/s1
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50416141
PNG
(CHEMBL1083925)
Show SMILES C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClFN2O/c1-13-11-23-9-8-15(13)12-24-20(25)19-17(6-3-7-18(19)22)14-4-2-5-16(21)10-14/h2-7,10,13,15,23H,8-9,11-12H2,1H3,(H,24,25)/t13-,15+/m0/s1
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416142
PNG
(CHEMBL1083404)
Show SMILES Fc1cccc(-c2cc(Cl)ccc2Cl)c1C(=O)NCC1CCNCC1
Show InChI InChI=1S/C19H19Cl2FN2O/c20-13-4-5-16(21)15(10-13)14-2-1-3-17(22)18(14)19(25)24-11-12-6-8-23-9-7-12/h1-5,10,12,23H,6-9,11H2,(H,24,25)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416150
PNG
(CHEMBL1085985)
Show SMILES Fc1cccc(-c2cccc(Cl)c2)c1C(=O)NCC1(F)CCNCC1
Show InChI InChI=1S/C19H19ClF2N2O/c20-14-4-1-3-13(11-14)15-5-2-6-16(21)17(15)18(25)24-12-19(22)7-9-23-10-8-19/h1-6,11,23H,7-10,12H2,(H,24,25)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50416140
PNG
(CHEMBL1083618)
Show SMILES Fc1cccc(-c2cccc(Cl)c2)c1C(=O)NCC1=CCNCC1 |t:20|
Show InChI InChI=1S/C19H18ClFN2O/c20-15-4-1-3-14(11-15)16-5-2-6-17(21)18(16)19(24)23-12-13-7-9-22-10-8-13/h1-7,11,22H,8-10,12H2,(H,23,24)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50416140
PNG
(CHEMBL1083618)
Show SMILES Fc1cccc(-c2cccc(Cl)c2)c1C(=O)NCC1=CCNCC1 |t:20|
Show InChI InChI=1S/C19H18ClFN2O/c20-15-4-1-3-14(11-15)16-5-2-6-17(21)18(16)19(24)23-12-13-7-9-22-10-8-13/h1-7,11,22H,8-10,12H2,(H,23,24)
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n/an/a 1.58E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416157
PNG
(CHEMBL1085556)
Show SMILES Clc1cccc(c1)-c1ccccc1CNC(=O)C1CCNCC1
Show InChI InChI=1S/C19H21ClN2O/c20-17-6-3-5-15(12-17)18-7-2-1-4-16(18)13-22-19(23)14-8-10-21-11-9-14/h1-7,12,14,21H,8-11,13H2,(H,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50416139
PNG
(CHEMBL1082365)
Show SMILES C[C@H]1CNCC[C@]1(F)CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H21ClF2N2O/c1-13-11-24-9-8-20(13,23)12-25-19(26)18-16(6-3-7-17(18)22)14-4-2-5-15(21)10-14/h2-7,10,13,24H,8-9,11-12H2,1H3,(H,25,26)/t13-,20-/m0/s1
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n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416145
PNG
(CHEMBL1083926)
Show SMILES C[C@H]1CNCC[C@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClFN2O/c1-13-11-23-9-8-15(13)12-24-20(25)19-17(6-3-7-18(19)22)14-4-2-5-16(21)10-14/h2-7,10,13,15,23H,8-9,11-12H2,1H3,(H,24,25)/t13-,15-/m0/s1
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n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50416139
PNG
(CHEMBL1082365)
Show SMILES C[C@H]1CNCC[C@]1(F)CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H21ClF2N2O/c1-13-11-24-9-8-20(13,23)12-25-19(26)18-16(6-3-7-17(18)22)14-4-2-5-15(21)10-14/h2-7,10,13,24H,8-9,11-12H2,1H3,(H,25,26)/t13-,20-/m0/s1
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416140
PNG
(CHEMBL1083618)
Show SMILES Fc1cccc(-c2cccc(Cl)c2)c1C(=O)NCC1=CCNCC1 |t:20|
Show InChI InChI=1S/C19H18ClFN2O/c20-15-4-1-3-14(11-15)16-5-2-6-17(21)18(16)19(24)23-12-13-7-9-22-10-8-13/h1-7,11,22H,8-10,12H2,(H,23,24)
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416165
PNG
(CHEMBL1083403)
Show SMILES Fc1cccc(-c2cc(Cl)ccc2Cl)c1-c1nc(no1)C1CCNCC1
Show InChI InChI=1S/C19H16Cl2FN3O/c20-12-4-5-15(21)14(10-12)13-2-1-3-16(22)17(13)19-24-18(25-26-19)11-6-8-23-9-7-11/h1-5,10-11,23H,6-9H2
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416139
PNG
(CHEMBL1082365)
Show SMILES C[C@H]1CNCC[C@]1(F)CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H21ClF2N2O/c1-13-11-24-9-8-20(13,23)12-25-19(26)18-16(6-3-7-17(18)22)14-4-2-5-15(21)10-14/h2-7,10,13,24H,8-9,11-12H2,1H3,(H,25,26)/t13-,20-/m0/s1
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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50416139
PNG
(CHEMBL1082365)
Show SMILES C[C@H]1CNCC[C@]1(F)CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H21ClF2N2O/c1-13-11-24-9-8-20(13,23)12-25-19(26)18-16(6-3-7-17(18)22)14-4-2-5-15(21)10-14/h2-7,10,13,24H,8-9,11-12H2,1H3,(H,25,26)/t13-,20-/m0/s1
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n/an/a 6.31E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50416140
PNG
(CHEMBL1083618)
Show SMILES Fc1cccc(-c2cccc(Cl)c2)c1C(=O)NCC1=CCNCC1 |t:20|
Show InChI InChI=1S/C19H18ClFN2O/c20-15-4-1-3-14(11-15)16-5-2-6-17(21)18(16)19(24)23-12-13-7-9-22-10-8-13/h1-7,11,22H,8-10,12H2,(H,23,24)
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n/an/a 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416149
PNG
(CHEMBL1083317)
Show SMILES FC1=C(CNC(=O)c2c(F)c(Cl)ccc2-c2cccc(Cl)c2)CCNC1 |c:1|
Show InChI InChI=1S/C19H16Cl2F2N2O/c20-13-3-1-2-11(8-13)14-4-5-15(21)18(23)17(14)19(26)25-9-12-6-7-24-10-16(12)22/h1-5,8,24H,6-7,9-10H2,(H,25,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416148
PNG
(CHEMBL1083003)
Show SMILES F[C@@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C19H19ClF2N2O/c20-14-4-1-3-12(9-14)15-5-2-6-16(21)18(15)19(25)24-10-13-7-8-23-11-17(13)22/h1-6,9,13,17,23H,7-8,10-11H2,(H,24,25)/t13-,17-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416147
PNG
(CHEMBL1083002)
Show SMILES CC[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H24ClFN2O/c1-2-14-12-24-10-9-16(14)13-25-21(26)20-18(7-4-8-19(20)23)15-5-3-6-17(22)11-15/h3-8,11,14,16,24H,2,9-10,12-13H2,1H3,(H,25,26)/t14-,16+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50416143
PNG
(CHEMBL1086495)
Show SMILES Fc1cccc(-c2cccc(Cl)c2)c1-c1noc(n1)C1CCNCC1
Show InChI InChI=1S/C19H17ClFN3O/c20-14-4-1-3-13(11-14)15-5-2-6-16(21)17(15)18-23-19(25-24-18)12-7-9-22-10-8-12/h1-6,11-12,22H,7-10H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium level by FL...


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50416144
PNG
(CHEMBL1083924)
Show SMILES Fc1cccc(-c2cccc(Cl)c2)c1-c1noc(CC2CCNCC2)n1
Show InChI InChI=1S/C20H19ClFN3O/c21-15-4-1-3-14(12-15)16-5-2-6-17(22)19(16)20-24-18(26-25-20)11-13-7-9-23-10-8-13/h1-6,12-13,23H,7-11H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium level by FL...


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50416141
PNG
(CHEMBL1083925)
Show SMILES C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClFN2O/c1-13-11-23-9-8-15(13)12-24-20(25)19-17(6-3-7-18(19)22)14-4-2-5-16(21)10-14/h2-7,10,13,15,23H,8-9,11-12H2,1H3,(H,24,25)/t13-,15+/m0/s1
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n/an/an/an/a 0.794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium level by FL...


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50416145
PNG
(CHEMBL1083926)
Show SMILES C[C@H]1CNCC[C@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClFN2O/c1-13-11-23-9-8-15(13)12-24-20(25)19-17(6-3-7-18(19)22)14-4-2-5-16(21)10-14/h2-7,10,13,15,23H,8-9,11-12H2,1H3,(H,24,25)/t13-,15-/m0/s1
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n/an/an/an/a 19.9n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium level by FL...


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50416140
PNG
(CHEMBL1083618)
Show SMILES Fc1cccc(-c2cccc(Cl)c2)c1C(=O)NCC1=CCNCC1 |t:20|
Show InChI InChI=1S/C19H18ClFN2O/c20-15-4-1-3-14(11-15)16-5-2-6-17(21)18(16)19(24)23-12-13-7-9-22-10-8-13/h1-7,11,22H,8-10,12H2,(H,23,24)
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n/an/an/an/a 3.16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium level by FL...


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50416146
PNG
(CHEMBL1083621)
Show SMILES Fc1c(Cl)ccc(-c2cccc(Cl)c2)c1C(=O)NCC1CCNCC1
Show InChI InChI=1S/C19H19Cl2FN2O/c20-14-3-1-2-13(10-14)15-4-5-16(21)18(22)17(15)19(25)24-11-12-6-8-23-9-7-12/h1-5,10,12,23H,6-9,11H2,(H,24,25)
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n/an/an/an/a 25.1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium level by FL...


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50416147
PNG
(CHEMBL1083002)
Show SMILES CC[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H24ClFN2O/c1-2-14-12-24-10-9-16(14)13-25-21(26)20-18(7-4-8-19(20)23)15-5-3-6-17(22)11-15/h3-8,11,14,16,24H,2,9-10,12-13H2,1H3,(H,25,26)/t14-,16+/m0/s1
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n/an/an/an/a 39.8n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium level by FL...


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50416148
PNG
(CHEMBL1083003)
Show SMILES F[C@@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C19H19ClF2N2O/c20-14-4-1-3-12(9-14)15-5-2-6-16(21)18(15)19(25)24-10-13-7-8-23-11-17(13)22/h1-6,9,13,17,23H,7-8,10-11H2,(H,24,25)/t13-,17-/m1/s1
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n/an/an/an/a 158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium level by FL...


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50416149
PNG
(CHEMBL1083317)
Show SMILES FC1=C(CNC(=O)c2c(F)c(Cl)ccc2-c2cccc(Cl)c2)CCNC1 |c:1|
Show InChI InChI=1S/C19H16Cl2F2N2O/c20-13-3-1-2-11(8-13)14-4-5-15(21)18(23)17(14)19(26)25-9-12-6-7-24-10-16(12)22/h1-5,8,24H,6-7,9-10H2,(H,25,26)
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n/an/an/an/a 158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium level by FL...


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50416150
PNG
(CHEMBL1085985)
Show SMILES Fc1cccc(-c2cccc(Cl)c2)c1C(=O)NCC1(F)CCNCC1
Show InChI InChI=1S/C19H19ClF2N2O/c20-14-4-1-3-13(11-14)15-5-2-6-16(21)17(15)18(25)24-12-19(22)7-9-23-10-8-19/h1-6,11,23H,7-10,12H2,(H,24,25)
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n/an/an/an/a 63.1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium level by FL...


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50416725
PNG
(CHEMBL1223862)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(OC)ccc2oc1=O |r,wD:3.2,6.6,(19.01,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.84,;6,-9.08,;4.66,-9.84,;7.32,-11.4,;8.65,-12.17,;9.99,-11.4,;11.47,-11.88,;12.38,-10.62,;13.92,-10.62,)|
Show InChI InChI=1S/C22H32N2O4/c1-4-27-17-7-11-22(2,12-8-17)23-13-9-16(10-14-23)24-19-15-18(26-3)5-6-20(19)28-21(24)25/h5-6,15-17H,4,7-14H2,1-3H3/t17-,22-
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n/an/an/an/a 158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells co-expressing Gqi5 chimaeric G-protein assessed as effect on calcium mobiliza...


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50416725
PNG
(CHEMBL1223862)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(OC)ccc2oc1=O |r,wD:3.2,6.6,(19.01,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.84,;6,-9.08,;4.66,-9.84,;7.32,-11.4,;8.65,-12.17,;9.99,-11.4,;11.47,-11.88,;12.38,-10.62,;13.92,-10.62,)|
Show InChI InChI=1S/C22H32N2O4/c1-4-27-17-7-11-22(2,12-8-17)23-13-9-16(10-14-23)24-19-15-18(26-3)5-6-20(19)28-21(24)25/h5-6,15-17H,4,7-14H2,1-3H3/t17-,22-
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n/an/an/an/a 158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50416726
PNG
(CHEMBL1223863)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)C#N |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;7.32,-11.41,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,;5.99,-9.08,;4.66,-8.31,)|
Show InChI InChI=1S/C22H29N3O3/c1-3-27-18-6-10-22(2,11-7-18)24-12-8-17(9-13-24)25-19-14-16(15-23)4-5-20(19)28-21(25)26/h4-5,14,17-18H,3,6-13H2,1-2H3/t18-,22-
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n/an/an/an/a 3.16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50416726
PNG
(CHEMBL1223863)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)C#N |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;7.32,-11.41,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,;5.99,-9.08,;4.66,-8.31,)|
Show InChI InChI=1S/C22H29N3O3/c1-3-27-18-6-10-22(2,11-7-18)24-12-8-17(9-13-24)25-19-14-16(15-23)4-5-20(19)28-21(25)26/h4-5,14,17-18H,3,6-13H2,1-2H3/t18-,22-
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n/an/an/an/a 2.51E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M2 receptor expressed in CHO cells co-expressing Gqi5 chimaeric G-protein assessed as effect on calcium mobiliza...


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50416726
PNG
(CHEMBL1223863)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)C#N |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;7.32,-11.41,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,;5.99,-9.08,;4.66,-8.31,)|
Show InChI InChI=1S/C22H29N3O3/c1-3-27-18-6-10-22(2,11-7-18)24-12-8-17(9-13-24)25-19-14-16(15-23)4-5-20(19)28-21(25)26/h4-5,14,17-18H,3,6-13H2,1-2H3/t18-,22-
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n/an/an/an/a 794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells co-expressing Gqi5 chimaeric G-protein assessed as effect on calcium mobiliza...


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50416726
PNG
(CHEMBL1223863)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)C#N |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;7.32,-11.41,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,;5.99,-9.08,;4.66,-8.31,)|
Show InChI InChI=1S/C22H29N3O3/c1-3-27-18-6-10-22(2,11-7-18)24-12-8-17(9-13-24)25-19-14-16(15-23)4-5-20(19)28-21(25)26/h4-5,14,17-18H,3,6-13H2,1-2H3/t18-,22-
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n/an/an/an/a 398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50416727
PNG
(CHEMBL1223864)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(C)(=O)=O |r,wD:3.2,6.6,(19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.01,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.16,-9.04,;14.95,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.41,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.8,;7.79,-13.57,;7.78,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.34,;14.38,-14.35,;6.46,-12.8,;5.12,-13.57,;5.12,-12.03,;7.54,-11.7,)|
Show InChI InChI=1S/C22H32N2O5S/c1-4-28-17-7-11-22(2,12-8-17)23-13-9-16(10-14-23)24-19-15-18(30(3,26)27)5-6-20(19)29-21(24)25/h5-6,15-17H,4,7-14H2,1-3H3/t17-,22-
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n/an/an/an/a 12.6n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50416727
PNG
(CHEMBL1223864)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(C)(=O)=O |r,wD:3.2,6.6,(19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.01,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.16,-9.04,;14.95,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.41,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.8,;7.79,-13.57,;7.78,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.34,;14.38,-14.35,;6.46,-12.8,;5.12,-13.57,;5.12,-12.03,;7.54,-11.7,)|
Show InChI InChI=1S/C22H32N2O5S/c1-4-28-17-7-11-22(2,12-8-17)23-13-9-16(10-14-23)24-19-15-18(30(3,26)27)5-6-20(19)29-21(24)25/h5-6,15-17H,4,7-14H2,1-3H3/t17-,22-
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n/an/an/an/a 2.51E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M2 receptor expressed in CHO cells co-expressing Gqi5 chimaeric G-protein assessed as effect on calcium mobiliza...


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416727
PNG
(CHEMBL1223864)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(C)(=O)=O |r,wD:3.2,6.6,(19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.01,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.16,-9.04,;14.95,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.41,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.8,;7.79,-13.57,;7.78,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.34,;14.38,-14.35,;6.46,-12.8,;5.12,-13.57,;5.12,-12.03,;7.54,-11.7,)|
Show InChI InChI=1S/C22H32N2O5S/c1-4-28-17-7-11-22(2,12-8-17)23-13-9-16(10-14-23)24-19-15-18(30(3,26)27)5-6-20(19)29-21(24)25/h5-6,15-17H,4,7-14H2,1-3H3/t17-,22-
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n/an/an/an/a 1.26E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M3 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50416727
PNG
(CHEMBL1223864)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(C)(=O)=O |r,wD:3.2,6.6,(19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.01,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.16,-9.04,;14.95,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.41,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.8,;7.79,-13.57,;7.78,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.34,;14.38,-14.35,;6.46,-12.8,;5.12,-13.57,;5.12,-12.03,;7.54,-11.7,)|
Show InChI InChI=1S/C22H32N2O5S/c1-4-28-17-7-11-22(2,12-8-17)23-13-9-16(10-14-23)24-19-15-18(30(3,26)27)5-6-20(19)29-21(24)25/h5-6,15-17H,4,7-14H2,1-3H3/t17-,22-
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n/an/an/an/a 1.58E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells co-expressing Gqi5 chimaeric G-protein assessed as effect on calcium mobiliza...


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50416727
PNG
(CHEMBL1223864)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(C)(=O)=O |r,wD:3.2,6.6,(19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.01,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.16,-9.04,;14.95,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.41,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.8,;7.79,-13.57,;7.78,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.34,;14.38,-14.35,;6.46,-12.8,;5.12,-13.57,;5.12,-12.03,;7.54,-11.7,)|
Show InChI InChI=1S/C22H32N2O5S/c1-4-28-17-7-11-22(2,12-8-17)23-13-9-16(10-14-23)24-19-15-18(30(3,26)27)5-6-20(19)29-21(24)25/h5-6,15-17H,4,7-14H2,1-3H3/t17-,22-
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n/an/an/an/a 1.26E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50416728
PNG
(CHEMBL1223938)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(=O)(=O)CC |r,wD:3.2,6.6,(19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.02,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.42,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.35,;14.38,-14.35,;6.46,-12.8,;5.68,-11.46,;7.22,-11.46,;5.12,-13.57,;3.79,-12.81,)|
Show InChI InChI=1S/C23H34N2O5S/c1-4-29-18-8-12-23(3,13-9-18)24-14-10-17(11-15-24)25-20-16-19(31(27,28)5-2)6-7-21(20)30-22(25)26/h6-7,16-18H,4-5,8-15H2,1-3H3/t18-,23-
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n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50416728
PNG
(CHEMBL1223938)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(=O)(=O)CC |r,wD:3.2,6.6,(19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.02,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.42,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.35,;14.38,-14.35,;6.46,-12.8,;5.68,-11.46,;7.22,-11.46,;5.12,-13.57,;3.79,-12.81,)|
Show InChI InChI=1S/C23H34N2O5S/c1-4-29-18-8-12-23(3,13-9-18)24-14-10-17(11-15-24)25-20-16-19(31(27,28)5-2)6-7-21(20)30-22(25)26/h6-7,16-18H,4-5,8-15H2,1-3H3/t18-,23-
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n/an/an/an/a>1.58E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M2 receptor expressed in CHO cells co-expressing Gqi5 chimaeric G-protein assessed as effect on calcium mobiliza...


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416728
PNG
(CHEMBL1223938)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(=O)(=O)CC |r,wD:3.2,6.6,(19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.02,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.42,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.35,;14.38,-14.35,;6.46,-12.8,;5.68,-11.46,;7.22,-11.46,;5.12,-13.57,;3.79,-12.81,)|
Show InChI InChI=1S/C23H34N2O5S/c1-4-29-18-8-12-23(3,13-9-18)24-14-10-17(11-15-24)25-20-16-19(31(27,28)5-2)6-7-21(20)30-22(25)26/h6-7,16-18H,4-5,8-15H2,1-3H3/t18-,23-
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n/an/an/an/a 398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M3 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50416728
PNG
(CHEMBL1223938)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(=O)(=O)CC |r,wD:3.2,6.6,(19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.02,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.42,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.35,;14.38,-14.35,;6.46,-12.8,;5.68,-11.46,;7.22,-11.46,;5.12,-13.57,;3.79,-12.81,)|
Show InChI InChI=1S/C23H34N2O5S/c1-4-29-18-8-12-23(3,13-9-18)24-14-10-17(11-15-24)25-20-16-19(31(27,28)5-2)6-7-21(20)30-22(25)26/h6-7,16-18H,4-5,8-15H2,1-3H3/t18-,23-
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n/an/an/an/a 1.58E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells co-expressing Gqi5 chimaeric G-protein assessed as effect on calcium mobiliza...


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50416728
PNG
(CHEMBL1223938)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(=O)(=O)CC |r,wD:3.2,6.6,(19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.02,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.42,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.35,;14.38,-14.35,;6.46,-12.8,;5.68,-11.46,;7.22,-11.46,;5.12,-13.57,;3.79,-12.81,)|
Show InChI InChI=1S/C23H34N2O5S/c1-4-29-18-8-12-23(3,13-9-18)24-14-10-17(11-15-24)25-20-16-19(31(27,28)5-2)6-7-21(20)30-22(25)26/h6-7,16-18H,4-5,8-15H2,1-3H3/t18-,23-
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n/an/an/an/a 5.01E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
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