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Compile Data Set for Download or QSAR

Found 904 hits of ic50 for UniProtKB: P11229   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50003355
PNG
(5-(4-Hexylsulfanyl-[1,2,5]thiadiazol-3-yl)-1-methy...)
Show SMILES CCCCCCSc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C14H23N3S2/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
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n/an/a 0.00100n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Efficacy at muscarinic acetylcholine receptor M1 measured by the ability to inhibit the electrically stimulated twitch of the rabbit vas deferens


J Med Chem 35: 4011-9 (1992)


Article DOI: 10.1021/jm00100a005
BindingDB Entry DOI: 10.7270/Q2KW5F1K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50003363
PNG
(1-Methyl-5-(4-pentylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CCCCCSc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C13H21N3S2/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3
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n/an/a 0.00200n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Efficacy at muscarinic acetylcholine receptor M1 measured by the ability to inhibit the electrically stimulated twitch of the rabbit vas deferens


J Med Chem 35: 4011-9 (1992)


Article DOI: 10.1021/jm00100a005
BindingDB Entry DOI: 10.7270/Q2KW5F1K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50003366
PNG
(1-Methyl-5-(4-pentyloxy-[1,2,5]thiadiazol-3-yl)-1,...)
Show SMILES CCCCCOc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C13H21N3OS/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3
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n/an/a 0.00400n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Efficacy at muscarinic acetylcholine receptor M1 measured by the ability to inhibit the electrically stimulated twitch of the rabbit vas deferens


J Med Chem 35: 4011-9 (1992)


Article DOI: 10.1021/jm00100a005
BindingDB Entry DOI: 10.7270/Q2KW5F1K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50003359
PNG
(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
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n/an/a 0.00800n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Efficacy at muscarinic acetylcholine receptor M1 measured by the ability to inhibit the electrically stimulated twitch of the rabbit vas deferens


J Med Chem 35: 4011-9 (1992)


Article DOI: 10.1021/jm00100a005
BindingDB Entry DOI: 10.7270/Q2KW5F1K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296345
PNG
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1
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n/an/a 0.0316n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay


Bioorg Med Chem Lett 20: 7458-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.016
BindingDB Entry DOI: 10.7270/Q2GM88K4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296331
PNG
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phe...)
Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1
Show InChI InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay


Bioorg Med Chem Lett 20: 7458-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.016
BindingDB Entry DOI: 10.7270/Q2GM88K4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50066861
PNG
(BA-679-BR | Spiriva | TIOTROPIUM BROMIDE | Tiotrop...)
Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+
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Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method


Bioorg Med Chem Lett 25: 1736-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50417445
PNG
(AHR-504 | CUVPOSA | GLYCOPYRROLATE)
Show SMILES C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1
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n/an/a 0.126n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay


Bioorg Med Chem Lett 20: 7458-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.016
BindingDB Entry DOI: 10.7270/Q2GM88K4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296331
PNG
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phe...)
Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1
Show InChI InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296329
PNG
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(2-phe...)
Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1
Show InChI InChI=1S/C25H28NO3S2/c27-24(25(28,22-8-4-16-30-22)23-9-5-17-31-23)29-21-18-26(14-11-20(21)12-15-26)13-10-19-6-2-1-3-7-19/h1-9,16-17,20-21,28H,10-15,18H2/q+1/t20?,21-,26?/m0/s1
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Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296336
PNG
((3R)-3-{[(2S)-2-Cyclopentyl-2-hydroxy-2-(2-thienyl...)
Show SMILES O[C@@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1cccs1
Show InChI InChI=1S/C27H36NO4S/c29-26(27(30,22-8-4-5-9-22)25-12-6-19-33-25)32-24-20-28(16-13-21(24)14-17-28)15-7-18-31-23-10-2-1-3-11-23/h1-3,6,10-12,19,21-22,24,30H,4-5,7-9,13-18,20H2/q+1/t21?,24-,27+,28?/m0/s1
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n/an/a 0.150n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296343
PNG
((3R)-3-{[(2S)-2-Hydroxy-2-phenyl-2-(2-thienyl)acet...)
Show SMILES O[C@@](C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1ccccc1
Show InChI InChI=1S/C28H32NO4S/c30-27(28(31,26-13-7-20-34-26)23-9-3-1-4-10-23)33-25-21-29(17-14-22(25)15-18-29)16-8-19-32-24-11-5-2-6-12-24/h1-7,9-13,20,22,25,31H,8,14-19,21H2/q+1/t22?,25-,28+,29?/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296321
PNG
((3R)-1-Azabicyclo[2.2.2]oct-3-yl(2S)-cyclopentyl(h...)
Show SMILES O[C@@](C1CCCC1)(C(=O)O[C@H]1CN2CCC1CC2)c1cccs1
Show InChI InChI=1S/C18H25NO3S/c20-17(22-15-12-19-9-7-13(15)8-10-19)18(21,14-4-1-2-5-14)16-6-3-11-23-16/h3,6,11,13-15,21H,1-2,4-5,7-10,12H2/t15-,18+/m0/s1
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n/an/a 0.190n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296319
PNG
((3R)-1-Azabicyclo[2.2.2]oct-3-yl(2S)-hydroxy(pheny...)
Show SMILES O[C@@](C(=O)O[C@H]1CN2CCC1CC2)(c1cccs1)c1ccccc1
Show InChI InChI=1S/C19H21NO3S/c21-18(23-16-13-20-10-8-14(16)9-11-20)19(22,17-7-4-12-24-17)15-5-2-1-3-6-15/h1-7,12,14,16,22H,8-11,13H2/t16-,19+/m0/s1
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Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296317
PNG
((3R)-1-Azabicyclo[2.2.2]oct-3-ylhydroxy(di-2-thien...)
Show SMILES OC(C(=O)O[C@H]1CN2CCC1CC2)(c1cccs1)c1cccs1
Show InChI InChI=1S/C17H19NO3S2/c19-16(21-13-11-18-7-5-12(13)6-8-18)17(20,14-3-1-9-22-14)15-4-2-10-23-15/h1-4,9-10,12-13,20H,5-8,11H2/t13-/m0/s1
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Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296345
PNG
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1
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n/an/a 0.220n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296320
PNG
((3R)-1-Azabicyclo[2.2.2]oct-3-yl(2R)-hydroxy(pheny...)
Show SMILES O[C@](C(=O)O[C@H]1CN2CCC1CC2)(c1cccs1)c1ccccc1
Show InChI InChI=1S/C19H21NO3S/c21-18(23-16-13-20-10-8-14(16)9-11-20)19(22,17-7-4-12-24-17)15-5-2-1-3-6-15/h1-7,12,14,16,22H,8-11,13H2/t16-,19-/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296341
PNG
((3R)-3-{[Hydroxy(di-3-thienyl)acetyl]oxy}-1-(3-phe...)
Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccsc1)c1ccsc1
Show InChI InChI=1S/C26H30NO4S2/c28-25(26(29,21-9-15-32-18-21)22-10-16-33-19-22)31-24-17-27(12-7-20(24)8-13-27)11-4-14-30-23-5-2-1-3-6-23/h1-3,5-6,9-10,15-16,18-20,24,29H,4,7-8,11-14,17H2/q+1/t20?,24-,27?/m0/s1
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Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296334
PNG
((3R)-3-{[(9-Hydroxy-9H-xanthen-9-yl)carbonyl]oxy}-...)
Show SMILES OC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C30H32NO5/c32-29(30(33)24-11-4-6-13-26(24)35-27-14-7-5-12-25(27)30)36-28-21-31(18-15-22(28)16-19-31)17-8-20-34-23-9-2-1-3-10-23/h1-7,9-14,22,28,33H,8,15-21H2/q+1/t22?,28-,31?/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296322
PNG
((3R)-1-Azabicyclo[2.2.2]oct-3-yl(2R)-cyclopentyl(h...)
Show SMILES O[C@](C1CCCC1)(C(=O)O[C@H]1CN2CCC1CC2)c1cccs1
Show InChI InChI=1S/C18H25NO3S/c20-17(22-15-12-19-9-7-13(15)8-10-19)18(21,14-4-1-2-5-14)16-6-3-11-23-16/h3,6,11,13-15,21H,1-2,4-5,7-10,12H2/t15-,18-/m0/s1
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n/an/a 0.240n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296316
PNG
((3R)-1-Azabicyclo[2.2.2]oct-3-yl9-hydroxy-9H-fluor...)
Show SMILES OC1(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H21NO3/c23-20(25-19-13-22-11-9-14(19)10-12-22)21(24)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,14,19,24H,9-13H2/t19-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296338
PNG
((3R)-3-{[(9-Methyl-9H-xanthen-9-yl)carbonyl]oxy}-1...)
Show SMILES CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C31H34NO4/c1-31(25-12-5-7-14-27(25)35-28-15-8-6-13-26(28)31)30(33)36-29-22-32(19-16-23(29)17-20-32)18-9-21-34-24-10-3-2-4-11-24/h2-8,10-15,23,29H,9,16-22H2,1H3/q+1/t23?,29-,32?/m0/s1
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n/an/a 0.280n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296333
PNG
((3R)-3-{[(9-Hydroxy-9H-xanthen-9-yl)carbonyl]oxy}-...)
Show SMILES OC1(C(=O)O[C@H]2C[N+]3(CCc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C29H30NO4/c31-28(29(32)23-10-4-6-12-25(23)33-26-13-7-5-11-24(26)29)34-27-20-30(18-15-22(27)16-19-30)17-14-21-8-2-1-3-9-21/h1-13,22,27,32H,14-20H2/q+1/t22?,27-,30?/m0/s1
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n/an/a 0.290n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296330
PNG
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(4-phe...)
Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1
Show InChI InChI=1S/C27H32NO3S2/c29-26(27(30,24-11-6-18-32-24)25-12-7-19-33-25)31-23-20-28(16-13-22(23)14-17-28)15-5-4-10-21-8-2-1-3-9-21/h1-3,6-9,11-12,18-19,22-23,30H,4-5,10,13-17,20H2/q+1/t22?,23-,28?/m0/s1
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n/an/a 0.290n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296314
PNG
((3R)-1-Azabicyclo[2.2.2]oct-3-yl9H-xanthene-9-carb...)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C21H21NO3/c23-21(25-19-13-22-11-9-14(19)10-12-22)20-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20/h1-8,14,19-20H,9-13H2/t19-/m0/s1
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n/an/a 0.310n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296335
PNG
((3R)-3-{[Hydroxy(diphenyl)acetyl]oxy}-1-(3-phenoxy...)
Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34NO4/c32-29(30(33,25-11-4-1-5-12-25)26-13-6-2-7-14-26)35-28-23-31(20-17-24(28)18-21-31)19-10-22-34-27-15-8-3-9-16-27/h1-9,11-16,24,28,33H,10,17-23H2/q+1/t24?,28-,31?/m0/s1
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n/an/a 0.310n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296340
PNG
((3R)-3-[(Di-2-thienylacetyl)oxy]-1-(3-phenoxypropy...)
Show SMILES O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1
Show InChI InChI=1S/C26H30NO3S2/c28-26(25(23-9-4-17-31-23)24-10-5-18-32-24)30-22-19-27(14-11-20(22)12-15-27)13-6-16-29-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,25H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1
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n/an/a 0.340n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296344
PNG
((3R)-3-{[(2R)-2-Hydroxy-2-phenyl-2-(2-thienyl)acet...)
Show SMILES O[C@](C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1ccccc1
Show InChI InChI=1S/C28H32NO4S/c30-27(28(31,26-13-7-20-34-26)23-9-3-1-4-10-23)33-25-21-29(17-14-22(25)15-18-29)16-8-19-32-24-11-5-2-6-12-24/h1-7,9-13,20,22,25,31H,8,14-19,21H2/q+1/t22?,25-,28-,29?/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50344303
PNG
((R)-quinuclidin-3-yl benzyl(phenyl)carbamate | CHE...)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H24N2O2/c24-21(25-20-16-22-13-11-18(20)12-14-22)23(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-10,18,20H,11-16H2/t20-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 21: 3457-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.096
BindingDB Entry DOI: 10.7270/Q25H7GMV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50344294
PNG
((R)-1-(2-phenoxyethyl)-3-(phenyl(thiophen-3-ylmeth...)
Show SMILES O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccsc1)c1ccccc1
Show InChI InChI=1S/C27H31N2O3S/c30-27(28(19-22-13-18-33-21-22)24-7-3-1-4-8-24)32-26-20-29(14-11-23(26)12-15-29)16-17-31-25-9-5-2-6-10-25/h1-10,13,18,21,23,26H,11-12,14-17,19-20H2/q+1/t23?,26-,29?/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 21: 3457-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.096
BindingDB Entry DOI: 10.7270/Q25H7GMV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50344292
PNG
((R)-1-(2-phenoxyethyl)-3-(phenyl(thiophen-2-ylmeth...)
Show SMILES O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cccs1)c1ccccc1
Show InChI InChI=1S/C27H31N2O3S/c30-27(28(20-25-12-7-19-33-25)23-8-3-1-4-9-23)32-26-21-29(15-13-22(26)14-16-29)17-18-31-24-10-5-2-6-11-24/h1-12,19,22,26H,13-18,20-21H2/q+1/t22?,26-,29?/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 21: 3457-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.096
BindingDB Entry DOI: 10.7270/Q25H7GMV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50066866
PNG
(CHEMBL3401643)
Show SMILES O[C@@](C1CCCC1)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1
Show InChI InChI=1S/C18H26N2O2S/c21-17(19-15-12-20-9-7-13(15)8-10-20)18(22,14-4-1-2-5-14)16-6-3-11-23-16/h3,6,11,13-15,22H,1-2,4-5,7-10,12H2,(H,19,21)/t15-,18+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method


Bioorg Med Chem Lett 25: 1736-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50344270
PNG
((R)-quinuclidin-3-yl phenyl(thiophen-2-ylmethyl)ca...)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)c1ccccc1
Show InChI InChI=1S/C19H22N2O2S/c22-19(23-18-14-20-10-8-15(18)9-11-20)21(13-17-7-4-12-24-17)16-5-2-1-3-6-16/h1-7,12,15,18H,8-11,13-14H2/t18-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 21: 3457-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.096
BindingDB Entry DOI: 10.7270/Q25H7GMV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50344271
PNG
((R)-quinuclidin-3-yl phenyl(thiophen-3-ylmethyl)ca...)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccsc1)c1ccccc1
Show InChI InChI=1S/C19H22N2O2S/c22-19(23-18-13-20-9-6-16(18)7-10-20)21(12-15-8-11-24-14-15)17-4-2-1-3-5-17/h1-5,8,11,14,16,18H,6-7,9-10,12-13H2/t18-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 21: 3457-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.096
BindingDB Entry DOI: 10.7270/Q25H7GMV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296327
PNG
((3R)-1-Heptyl-3-{[hydroxy(di-2-thienyl)acetyl]oxy}...)
Show SMILES [Br-].CCCCCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C24H34NO3S2.BrH/c1-2-3-4-5-6-13-25-14-11-19(12-15-25)20(18-25)28-23(26)24(27,21-9-7-16-29-21)22-10-8-17-30-22;/h7-10,16-17,19-20,27H,2-6,11-15,18H2,1H3;1H/q+1;/p-1/t19?,20-,25?;/m0./s1
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n/an/a 0.410n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296326
PNG
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-methyl...)
Show SMILES [Br-].C[N+]12CCC(CC1)[C@H](C2)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C18H22NO3S2.BrH/c1-19-8-6-13(7-9-19)14(12-19)22-17(20)18(21,15-4-2-10-23-15)16-5-3-11-24-16;/h2-5,10-11,13-14,21H,6-9,12H2,1H3;1H/q+1;/p-1/t13?,14-,19?;/m0./s1
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n/an/a 0.430n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296332
PNG
((3R)-1-(2-Phenylethyl)-3-[(9H-xanthen-9-ylcarbonyl...)
Show SMILES O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C29H30NO3/c31-29(28-23-10-4-6-12-25(23)32-26-13-7-5-11-24(26)28)33-27-20-30(18-15-22(27)16-19-30)17-14-21-8-2-1-3-9-21/h1-13,22,27-28H,14-20H2/q+1/t22?,27-,30?/m0/s1
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n/an/a 0.440n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296342
PNG
((3R)-3-[(2,2-Di-2-thienylpropanoyl)oxy]-1-(3-pheno...)
Show SMILES CC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1
Show InChI InChI=1S/C27H32NO3S2/c1-27(24-10-5-18-32-24,25-11-6-19-33-25)26(29)31-23-20-28(15-12-21(23)13-16-28)14-7-17-30-22-8-3-2-4-9-22/h2-6,8-11,18-19,21,23H,7,12-17,20H2,1H3/q+1/t21?,23-,28?/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296325
PNG
((3R)-3-{[(9-Hydroxy-9H-fluoren-9-yl)carbonyl]oxy}-...)
Show SMILES OC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C30H32NO4/c32-29(30(33)26-13-6-4-11-24(26)25-12-5-7-14-27(25)30)35-28-21-31(18-15-22(28)16-19-31)17-8-20-34-23-9-2-1-3-10-23/h1-7,9-14,22,28,33H,8,15-21H2/q+1/t22?,28-,31?/m0/s1
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n/an/a 0.630n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50344278
PNG
((R)-quinuclidin-3-yl butyl(thiophen-2-ylmethyl)car...)
Show SMILES CCCCN(Cc1cccs1)C(=O)O[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H26N2O2S/c1-2-3-8-19(12-15-5-4-11-22-15)17(20)21-16-13-18-9-6-14(16)7-10-18/h4-5,11,14,16H,2-3,6-10,12-13H2,1H3/t16-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 21: 3457-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.096
BindingDB Entry DOI: 10.7270/Q25H7GMV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50344274
PNG
((R)-quinuclidin-3-yl pentyl(phenyl)carbamate | CHE...)
Show SMILES CCCCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C19H28N2O2/c1-2-3-7-12-21(17-8-5-4-6-9-17)19(22)23-18-15-20-13-10-16(18)11-14-20/h4-6,8-9,16,18H,2-3,7,10-15H2,1H3/t18-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 21: 3457-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.096
BindingDB Entry DOI: 10.7270/Q25H7GMV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50296337
PNG
((3R)-3-{[(2R)-2-Cyclopentyl-2-hydroxy-2-(2-thienyl...)
Show SMILES O[C@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1cccs1
Show InChI InChI=1S/C27H36NO4S/c29-26(27(30,22-8-4-5-9-22)25-12-6-19-33-25)32-24-20-28(16-13-21(24)14-17-28)15-7-18-31-23-10-2-1-3-11-23/h1-3,6,10-12,19,21-22,24,30H,4-5,7-9,13-18,20H2/q+1/t21?,24-,27-,28?/m0/s1
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n/an/a 0.810n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50344283
PNG
((R)-quinuclidin-3-yl 3-fluorophenyl(3,4,5-trifluor...)
Show SMILES Fc1cccc(c1)N(Cc1cc(F)c(F)c(F)c1)C(=O)O[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C21H20F4N2O2/c22-15-2-1-3-16(10-15)27(11-13-8-17(23)20(25)18(24)9-13)21(28)29-19-12-26-6-4-14(19)5-7-26/h1-3,8-10,14,19H,4-7,11-12H2/t19-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 21: 3457-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.096
BindingDB Entry DOI: 10.7270/Q25H7GMV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50066850
PNG
(CHEMBL3401641)
Show SMILES OC(C(=O)N[C@H]1CN2CCC1CC2)(c1cccs1)c1cccs1
Show InChI InChI=1S/C17H20N2O2S2/c20-16(18-13-11-19-7-5-12(13)6-8-19)17(21,14-3-1-9-22-14)15-4-2-10-23-15/h1-4,9-10,12-13,21H,5-8,11H2,(H,18,20)/t13-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method


Bioorg Med Chem Lett 25: 1736-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50066860
PNG
(CHEMBL3401648)
Show SMILES OC(C(=O)N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1
Show InChI InChI=1S/C26H30N2O2S2/c29-25(26(30,23-10-5-17-31-23)24-11-6-18-32-24)27-22-19-28(15-12-21(22)13-16-28)14-4-9-20-7-2-1-3-8-20/h1-3,5-8,10-11,17-18,21-22,30H,4,9,12-16,19H2/p+1/t21?,22-,28?/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method


Bioorg Med Chem Lett 25: 1736-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50066859
PNG
(CHEMBL3401649)
Show SMILES OC(C(=O)N[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)(c1cccs1)c1cccs1
Show InChI InChI=1S/C24H28N2O2S3/c27-23(24(28,21-7-3-15-30-21)22-8-4-16-31-22)25-20-17-26(12-9-18(20)10-13-26)11-1-5-19-6-2-14-29-19/h2-4,6-8,14-16,18,20,28H,1,5,9-13,17H2/p+1/t18?,20-,26?/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method


Bioorg Med Chem Lett 25: 1736-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50344282
PNG
((R)-quinuclidin-3-yl m-tolyl(2,4,5-trifluorobenzyl...)
Show SMILES Cc1cccc(c1)N(Cc1cc(F)c(F)cc1F)C(=O)O[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C22H23F3N2O2/c1-14-3-2-4-17(9-14)27(12-16-10-19(24)20(25)11-18(16)23)22(28)29-21-13-26-7-5-15(21)6-8-26/h2-4,9-11,15,21H,5-8,12-13H2,1H3/t21-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 21: 3457-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.096
BindingDB Entry DOI: 10.7270/Q25H7GMV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50344269
PNG
((R)-quinuclidin-3-yl phenethyl(phenyl)carbamate | ...)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)N(CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H26N2O2/c25-22(26-21-17-23-14-12-19(21)13-15-23)24(20-9-5-2-6-10-20)16-11-18-7-3-1-4-8-18/h1-10,19,21H,11-17H2/t21-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 21: 3457-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.096
BindingDB Entry DOI: 10.7270/Q25H7GMV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50344301
PNG
((R)-3-((3-fluorophenyl)(3,4,5-trifluorobenzyl)carb...)
Show SMILES Fc1cccc(c1)N(Cc1cc(F)c(F)c(F)c1)C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2
Show InChI InChI=1S/C29H29F4N2O3/c30-22-5-4-6-23(17-22)34(18-20-15-25(31)28(33)26(32)16-20)29(36)38-27-19-35(11-9-21(27)10-12-35)13-14-37-24-7-2-1-3-8-24/h1-8,15-17,21,27H,9-14,18-19H2/q+1/t21?,27-,35?/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 21: 3457-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.096
BindingDB Entry DOI: 10.7270/Q25H7GMV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50344273
PNG
((R)-quinuclidin-3-yl butyl(phenyl)carbamate | CHEM...)
Show SMILES CCCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C18H26N2O2/c1-2-3-11-20(16-7-5-4-6-8-16)18(21)22-17-14-19-12-9-15(17)10-13-19/h4-8,15,17H,2-3,9-14H2,1H3/t17-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 21: 3457-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.096
BindingDB Entry DOI: 10.7270/Q25H7GMV
More data for this
Ligand-Target Pair
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