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Compile Data Set for Download or QSAR

Found 187 hits Enz. Inhib. hit(s) with all data for entry = 50042444   
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))
BDBM50194640
PNG
((2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-fluoroph...)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1
Show InChI InChI=1S/C37H41F3N4O4/c38-28-9-3-25(4-10-28)37(26-5-11-29(39)12-6-26,27-7-13-30(40)14-8-27)21-34(46)44-23-31(45)20-33(44)36(48)43-19-1-2-32(43)35(47)42-22-24-15-17-41-18-16-24/h3-14,24,31-33,41,45H,1-2,15-23H2,(H,42,47)/t31-,32-,33+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M3 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50111346
PNG
((2-Amino-3-methyl-phenyl)-{4-[4-(3-chloro-benzenes...)
Show SMILES Cc1cccc(C(=O)N2CCC(CC2)N2CCC(Cc3ccc(cc3)S(=O)(=O)c3cccc(Cl)c3)CC2)c1N
Show InChI InChI=1S/C31H36ClN3O3S/c1-22-4-2-7-29(30(22)33)31(36)35-18-14-26(15-19-35)34-16-12-24(13-17-34)20-23-8-10-27(11-9-23)39(37,38)28-6-3-5-25(32)21-28/h2-11,21,24,26H,12-20,33H2,1H3
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0.890n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M2 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50426284
PNG
(CHEMBL326450)
Show SMILES CCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC
Show InChI InChI=1S/C26H30N2O4/c1-4-6-7-20-24(26(29)31-5-2)23-19-15-28-13-12-16-14-17(30-3)8-9-18(16)25(28)32-22(19)11-10-21(23)27-20/h8-11,14,25,27H,4-7,12-13,15H2,1-3H3
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1n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M4 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50368127
PNG
(Isoptpo Hyoscine | SCOPOLAMINE)
Show SMILES CN1[C@H]2CC(C[C@H]1[C@@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:8:9:1:3.5.4,8:7:1:3.5.4,THB:10:4:9.7:1|
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t12-,13+,14+,15+,16+/m1/s1
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6.5n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M3 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50368127
PNG
(Isoptpo Hyoscine | SCOPOLAMINE)
Show SMILES CN1[C@H]2CC(C[C@H]1[C@@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:8:9:1:3.5.4,8:7:1:3.5.4,THB:10:4:9.7:1|
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t12-,13+,14+,15+,16+/m1/s1
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7.5n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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9.10n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M1 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50368127
PNG
(Isoptpo Hyoscine | SCOPOLAMINE)
Show SMILES CN1[C@H]2CC(C[C@H]1[C@@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:8:9:1:3.5.4,8:7:1:3.5.4,THB:10:4:9.7:1|
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t12-,13+,14+,15+,16+/m1/s1
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9.5n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M2 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50368127
PNG
(Isoptpo Hyoscine | SCOPOLAMINE)
Show SMILES CN1[C@H]2CC(C[C@H]1[C@@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:8:9:1:3.5.4,8:7:1:3.5.4,THB:10:4:9.7:1|
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t12-,13+,14+,15+,16+/m1/s1
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18n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50426256
PNG
(CHEMBL2312358)
Show SMILES COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1 |t:11|
Show InChI InChI=1S/C22H25NO3/c1-23-14-12-20(18-6-4-3-5-7-18)21(16-23)22(24)26-15-13-17-8-10-19(25-2)11-9-17/h3-11H,12-16H2,1-2H3
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20n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50426256
PNG
(CHEMBL2312358)
Show SMILES COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1 |t:11|
Show InChI InChI=1S/C22H25NO3/c1-23-14-12-20(18-6-4-3-5-7-18)21(16-23)22(24)26-15-13-17-8-10-19(25-2)11-9-17/h3-11H,12-16H2,1-2H3
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30n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50368127
PNG
(Isoptpo Hyoscine | SCOPOLAMINE)
Show SMILES CN1[C@H]2CC(C[C@H]1[C@@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:8:9:1:3.5.4,8:7:1:3.5.4,THB:10:4:9.7:1|
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t12-,13+,14+,15+,16+/m1/s1
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37n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M4 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50194640
PNG
((2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-fluoroph...)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1
Show InChI InChI=1S/C37H41F3N4O4/c38-28-9-3-25(4-10-28)37(26-5-11-29(39)12-6-26,27-7-13-30(40)14-8-27)21-34(46)44-23-31(45)20-33(44)36(48)43-19-1-2-32(43)35(47)42-22-24-15-17-41-18-16-24/h3-14,24,31-33,41,45H,1-2,15-23H2,(H,42,47)/t31-,32-,33+/m1/s1
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42n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M4 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50426253
PNG
(CHEMBL2312361)
Show SMILES CN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:4|
Show InChI InChI=1S/C23H25NO3/c1-24-12-9-20(18-5-3-2-4-6-18)21(16-24)23(25)27-13-10-17-7-8-22-19(15-17)11-14-26-22/h2-8,15H,9-14,16H2,1H3
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60n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50426264
PNG
(CHEMBL2312378)
Show SMILES CCN1CCC(=C(C1)C(=O)OCc1ccc2OCOc2c1)c1ccccc1 |c:5|
Show InChI InChI=1S/C22H23NO4/c1-2-23-11-10-18(17-6-4-3-5-7-17)19(13-23)22(24)25-14-16-8-9-20-21(12-16)27-15-26-20/h3-9,12H,2,10-11,13-15H2,1H3
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60n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50111346
PNG
((2-Amino-3-methyl-phenyl)-{4-[4-(3-chloro-benzenes...)
Show SMILES Cc1cccc(C(=O)N2CCC(CC2)N2CCC(Cc3ccc(cc3)S(=O)(=O)c3cccc(Cl)c3)CC2)c1N
Show InChI InChI=1S/C31H36ClN3O3S/c1-22-4-2-7-29(30(22)33)31(36)35-18-14-26(15-19-35)34-16-12-24(13-17-34)20-23-8-10-27(11-9-23)39(37,38)28-6-3-5-25(32)21-28/h2-11,21,24,26H,12-20,33H2,1H3
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61n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M4 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50426244
PNG
(CHEMBL2312370)
Show SMILES CN1CCC(=C(C1)C(=O)OCCc1cccc(F)c1)c1ccccc1 |c:4|
Show InChI InChI=1S/C21H22FNO2/c1-23-12-10-19(17-7-3-2-4-8-17)20(15-23)21(24)25-13-11-16-6-5-9-18(22)14-16/h2-9,14H,10-13,15H2,1H3
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80n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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81n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M2 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50111346
PNG
((2-Amino-3-methyl-phenyl)-{4-[4-(3-chloro-benzenes...)
Show SMILES Cc1cccc(C(=O)N2CCC(CC2)N2CCC(Cc3ccc(cc3)S(=O)(=O)c3cccc(Cl)c3)CC2)c1N
Show InChI InChI=1S/C31H36ClN3O3S/c1-22-4-2-7-29(30(22)33)31(36)35-18-14-26(15-19-35)34-16-12-24(13-17-34)20-23-8-10-27(11-9-23)39(37,38)28-6-3-5-25(32)21-28/h2-11,21,24,26H,12-20,33H2,1H3
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85n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M5 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50426271
PNG
(CHEMBL2312392)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCc1ccc(F)cc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C22H24FNO2/c1-2-24-14-12-20(18-6-4-3-5-7-18)21(16-24)22(25)26-15-13-17-8-10-19(23)11-9-17/h3-11H,2,12-16H2,1H3
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100n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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105n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M4 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50426246
PNG
(CHEMBL2312368)
Show SMILES CN1CCC(=C(C1)C(=O)OCCc1ccc(cc1)S(C)(=O)=O)c1ccccc1 |c:4|
Show InChI InChI=1S/C22H25NO4S/c1-23-14-12-20(18-6-4-3-5-7-18)21(16-23)22(24)27-15-13-17-8-10-19(11-9-17)28(2,25)26/h3-11H,12-16H2,1-2H3
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110n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50426264
PNG
(CHEMBL2312378)
Show SMILES CCN1CCC(=C(C1)C(=O)OCc1ccc2OCOc2c1)c1ccccc1 |c:5|
Show InChI InChI=1S/C22H23NO4/c1-2-23-11-10-18(17-6-4-3-5-7-17)19(13-23)22(24)25-14-16-8-9-20-21(12-16)27-15-26-20/h3-9,12H,2,10-11,13-15H2,1H3
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120n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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126n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M5 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50426259
PNG
(CHEMBL2312383)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCc1ccncc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C21H24N2O2/c1-2-23-14-10-19(18-6-4-3-5-7-18)20(16-23)21(24)25-15-11-17-8-12-22-13-9-17/h3-9,12-13H,2,10-11,14-16H2,1H3
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140n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50426258
PNG
(CHEMBL2312384)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCc1ccsc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C20H23NO2S/c1-2-21-11-8-18(17-6-4-3-5-7-17)19(14-21)20(22)23-12-9-16-10-13-24-15-16/h3-7,10,13,15H,2,8-9,11-12,14H2,1H3
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140n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50426276
PNG
(CHEMBL2312387)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCc1cccc(OC)c1)c1ccccc1 |c:5|
Show InChI InChI=1S/C23H27NO3/c1-3-24-14-12-21(19-9-5-4-6-10-19)22(17-24)23(25)27-15-13-18-8-7-11-20(16-18)26-2/h4-11,16H,3,12-15,17H2,1-2H3
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150n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50426284
PNG
(CHEMBL326450)
Show SMILES CCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC
Show InChI InChI=1S/C26H30N2O4/c1-4-6-7-20-24(26(29)31-5-2)23-19-15-28-13-12-16-14-17(30-3)8-9-18(16)25(28)32-22(19)11-10-21(23)27-20/h8-11,14,25,27H,4-7,12-13,15H2,1-3H3
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151n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M3 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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158n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M3 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50194640
PNG
((2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-fluoroph...)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1
Show InChI InChI=1S/C37H41F3N4O4/c38-28-9-3-25(4-10-28)37(26-5-11-29(39)12-6-26,27-7-13-30(40)14-8-27)21-34(46)44-23-31(45)20-33(44)36(48)43-19-1-2-32(43)35(47)42-22-24-15-17-41-18-16-24/h3-14,24,31-33,41,45H,1-2,15-23H2,(H,42,47)/t31-,32-,33+/m1/s1
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170n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M1 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50073489
PNG
(1-Ethyl-4-phenyl-1,2,5,6-tetrahydro-pyridine-3-car...)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCc1ccc(OC)cc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C23H27NO3/c1-3-24-15-13-21(19-7-5-4-6-8-19)22(17-24)23(25)27-16-14-18-9-11-20(26-2)12-10-18/h4-12H,3,13-17H2,1-2H3
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170n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50426247
PNG
(CHEMBL2312367)
Show SMILES CSc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1 |t:11|
Show InChI InChI=1S/C22H25NO2S/c1-23-14-12-20(18-6-4-3-5-7-18)21(16-23)22(24)25-15-13-17-8-10-19(26-2)11-9-17/h3-11H,12-16H2,1-2H3
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190n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50426271
PNG
(CHEMBL2312392)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCc1ccc(F)cc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C22H24FNO2/c1-2-24-14-12-20(18-6-4-3-5-7-18)21(16-24)22(25)26-15-13-17-8-10-19(23)11-9-17/h3-11H,2,12-16H2,1H3
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190n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50426258
PNG
(CHEMBL2312384)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCc1ccsc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C20H23NO2S/c1-2-21-11-8-18(17-6-4-3-5-7-17)19(14-21)20(22)23-12-9-16-10-13-24-15-16/h3-7,10,13,15H,2,8-9,11-12,14H2,1H3
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190n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50426272
PNG
(CHEMBL2312391)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCc1ccccc1C)c1ccccc1 |c:5|
Show InChI InChI=1S/C23H27NO2/c1-3-24-15-13-21(20-11-5-4-6-12-20)22(17-24)23(25)26-16-14-19-10-8-7-9-18(19)2/h4-12H,3,13-17H2,1-2H3
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200n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50426265
PNG
(CHEMBL2312377)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCc1ccc2OCOc2c1)c1ccccc1 |c:5|
Show InChI InChI=1S/C23H25NO4/c1-2-24-12-10-19(18-6-4-3-5-7-18)20(15-24)23(25)26-13-11-17-8-9-21-22(14-17)28-16-27-21/h3-9,14H,2,10-13,15-16H2,1H3
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200n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50426280
PNG
(CHEMBL2312344)
Show SMILES CN1CCC(C(=O)OCCc2ccc3OCCc3c2)=C(C1)c1ccccc1 |c:20|
Show InChI InChI=1S/C23H25NO3/c1-24-12-9-20(21(16-24)18-5-3-2-4-6-18)23(25)27-13-10-17-7-8-22-19(15-17)11-14-26-22/h2-8,15H,9-14,16H2,1H3
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210n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50426266
PNG
(CHEMBL2312376)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:5|
Show InChI InChI=1S/C24H27NO3/c1-2-25-13-10-21(19-6-4-3-5-7-19)22(17-25)24(26)28-14-11-18-8-9-23-20(16-18)12-15-27-23/h3-9,16H,2,10-15,17H2,1H3
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230n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50426269
PNG
(CHEMBL2312373)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCc1ccc(Br)cc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C22H24BrNO2/c1-2-24-14-12-20(18-6-4-3-5-7-18)21(16-24)22(25)26-15-13-17-8-10-19(23)11-9-17/h3-11H,2,12-16H2,1H3
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240n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50426245
PNG
(CHEMBL2312369)
Show SMILES CN1CCC(=C(C1)C(=O)OCCc1cccc(C)c1)c1ccccc1 |c:4|
Show InChI InChI=1S/C22H25NO2/c1-17-7-6-8-18(15-17)12-14-25-22(24)21-16-23(2)13-11-20(21)19-9-4-3-5-10-19/h3-10,15H,11-14,16H2,1-2H3
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280n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50426265
PNG
(CHEMBL2312377)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCc1ccc2OCOc2c1)c1ccccc1 |c:5|
Show InChI InChI=1S/C23H25NO4/c1-2-24-12-10-19(18-6-4-3-5-7-18)20(15-24)23(25)26-13-11-17-8-9-21-22(14-17)28-16-27-21/h3-9,14H,2,10-13,15-16H2,1H3
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280n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50426253
PNG
(CHEMBL2312361)
Show SMILES CN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:4|
Show InChI InChI=1S/C23H25NO3/c1-24-12-9-20(18-5-3-2-4-6-18)21(16-24)23(25)27-13-10-17-7-8-22-19(15-17)11-14-26-22/h2-8,15H,9-14,16H2,1H3
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290n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50426272
PNG
(CHEMBL2312391)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCc1ccccc1C)c1ccccc1 |c:5|
Show InChI InChI=1S/C23H27NO2/c1-3-24-15-13-21(20-11-5-4-6-12-20)22(17-24)23(25)26-16-14-19-10-8-7-9-18(19)2/h4-12H,3,13-17H2,1-2H3
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290n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50426244
PNG
(CHEMBL2312370)
Show SMILES CN1CCC(=C(C1)C(=O)OCCc1cccc(F)c1)c1ccccc1 |c:4|
Show InChI InChI=1S/C21H22FNO2/c1-23-12-10-19(17-7-3-2-4-8-17)20(15-23)21(24)25-13-11-16-6-5-9-18(22)14-16/h2-9,14H,10-13,15H2,1H3
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330n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50426284
PNG
(CHEMBL326450)
Show SMILES CCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC
Show InChI InChI=1S/C26H30N2O4/c1-4-6-7-20-24(26(29)31-5-2)23-19-15-28-13-12-16-14-17(30-3)8-9-18(16)25(28)32-22(19)11-10-21(23)27-20/h8-11,14,25,27H,4-7,12-13,15H2,1-3H3
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339n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M2 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50426247
PNG
(CHEMBL2312367)
Show SMILES CSc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1 |t:11|
Show InChI InChI=1S/C22H25NO2S/c1-23-14-12-20(18-6-4-3-5-7-18)21(16-23)22(24)25-15-13-17-8-10-19(26-2)11-9-17/h3-11H,12-16H2,1-2H3
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340n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50426269
PNG
(CHEMBL2312373)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCc1ccc(Br)cc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C22H24BrNO2/c1-2-24-14-12-20(18-6-4-3-5-7-18)21(16-24)22(25)26-15-13-17-8-10-19(23)11-9-17/h3-11H,2,12-16H2,1H3
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370n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50426259
PNG
(CHEMBL2312383)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCc1ccncc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C21H24N2O2/c1-2-23-14-10-19(18-6-4-3-5-7-18)20(16-23)21(24)25-15-11-17-8-12-22-13-9-17/h3-9,12-13H,2,10-11,14-16H2,1H3
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370n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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407n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M4 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50426270
PNG
(CHEMBL2312372)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCc1ccc(Cl)cc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C22H24ClNO2/c1-2-24-14-12-20(18-6-4-3-5-7-18)21(16-24)22(25)26-15-13-17-8-10-19(23)11-9-17/h3-11H,2,12-16H2,1H3
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410n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50426260
PNG
(CHEMBL2312382)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCc1ccccn1)c1ccccc1 |c:5|
Show InChI InChI=1S/C21H24N2O2/c1-2-23-14-11-19(17-8-4-3-5-9-17)20(16-23)21(24)25-15-12-18-10-6-7-13-22-18/h3-10,13H,2,11-12,14-16H2,1H3
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410n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
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