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Compile Data Set for Download or QSAR

Found 1234 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 |t:13|
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



Lilly Research Laboratories

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)


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 |t:12|
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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Lilly Research Laboratories

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)


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 |t:12|
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



Lilly Research Laboratories

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)


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 |t:13|
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



Lilly Research Laboratories

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)


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 |TLB:11:5:1:8.10|
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 |r,wD:5.4,(-4.87,-33.87,;-5.96,-34.96,;-4.62,-35.72,;-4.61,-37.26,;-3.29,-34.95,;-1.95,-35.72,;-1.95,-37.26,;-.62,-38.02,;-.64,-39.56,;.69,-40.34,;2.03,-39.58,;3.36,-40.37,;4.7,-39.61,;6.02,-40.39,;7.36,-39.64,;7.37,-38.1,;6.04,-37.31,;4.7,-38.07,;.71,-37.26,;.71,-35.72,;-.62,-34.94,;-.2,-36.18,;-1.25,-36.53,;-5.96,-33.42,;-7.21,-32.51,;-6.74,-31.04,;-5.2,-31.04,;-4.72,-32.5,;-7.29,-35.73,;-8.7,-35.11,;-9.73,-36.25,;-8.96,-37.59,;-7.45,-37.26,)|
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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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 O.[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:4:3:15:10.12.9,4:5:15:10.12.9,18:10:15:3.5|
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 |r,wD:5.4,(-4.87,-33.87,;-5.96,-34.96,;-4.62,-35.72,;-4.61,-37.26,;-3.29,-34.95,;-1.95,-35.72,;-1.95,-37.26,;-.62,-38.02,;-.64,-39.56,;.69,-40.34,;2.03,-39.58,;3.36,-40.37,;4.7,-39.61,;6.02,-40.39,;7.36,-39.64,;7.37,-38.1,;6.04,-37.31,;4.7,-38.07,;.71,-37.26,;.71,-35.72,;-.62,-34.94,;-.2,-36.18,;-1.25,-36.53,;-5.96,-33.42,;-7.21,-32.51,;-6.74,-31.04,;-5.2,-31.04,;-4.72,-32.5,;-7.29,-35.73,;-8.7,-35.11,;-9.73,-36.25,;-8.96,-37.59,;-7.45,-37.26,)|
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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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 |r,wD:5.4,(12.26,-17.08,;11.17,-18.17,;12.51,-18.94,;12.51,-20.48,;13.84,-18.17,;15.17,-18.93,;15.17,-20.47,;16.5,-21.23,;16.49,-22.77,;17.82,-23.56,;19.16,-22.8,;20.48,-23.59,;21.82,-22.83,;21.84,-21.29,;20.5,-20.51,;19.17,-21.27,;17.83,-20.47,;17.83,-18.93,;16.5,-18.15,;16.92,-19.4,;15.87,-19.75,;11.17,-16.63,;9.92,-15.73,;10.39,-14.26,;11.93,-14.26,;12.41,-15.72,;9.84,-18.95,;8.42,-18.32,;7.4,-19.47,;8.17,-20.8,;9.68,-20.48,)|
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 |r,wU:1.31,wD:10.10,1.0,(16.18,-14.66,;15.09,-15.75,;13.76,-16.53,;12.35,-15.91,;11.32,-17.05,;12.1,-18.39,;13.6,-18.06,;16.43,-16.52,;16.43,-18.06,;17.76,-15.75,;19.09,-16.51,;19.09,-18.05,;20.42,-18.81,;20.41,-20.35,;21.74,-21.14,;23.08,-20.38,;24.4,-21.16,;25.74,-20.41,;27.07,-21.19,;28.41,-20.43,;28.42,-18.89,;27.09,-18.11,;25.75,-18.87,;21.75,-18.05,;21.75,-16.51,;20.42,-15.73,;20.84,-16.98,;19.79,-17.33,;15.09,-14.21,;13.83,-13.31,;14.3,-11.85,;15.84,-11.84,;16.32,-13.31,)|
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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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 |r,wU:1.25,wD:5.4,1.0,(17.33,-13.87,;16.24,-14.96,;17.58,-15.73,;17.58,-17.27,;18.91,-14.95,;20.25,-15.72,;20.25,-17.26,;21.57,-18.02,;21.56,-19.56,;22.89,-20.34,;24.23,-19.59,;25.55,-20.37,;26.89,-19.61,;28.22,-20.4,;29.56,-19.64,;29.57,-18.1,;28.24,-17.32,;26.9,-18.08,;22.9,-17.26,;22.9,-15.72,;21.57,-14.94,;22,-16.19,;20.95,-16.54,;16.24,-13.42,;14.98,-12.52,;15.45,-11.05,;16.99,-11.05,;17.47,-12.51,;14.91,-15.73,;13.57,-14.97,;12.24,-15.74,;12.25,-17.28,;13.59,-18.05,;14.92,-17.27,)|
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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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 |r,wU:1.7,wD:1.0,10.10,(9.07,-25.3,;7.98,-26.39,;6.65,-27.17,;5.24,-26.55,;4.22,-27.69,;4.99,-29.03,;6.5,-28.7,;9.32,-27.16,;9.32,-28.7,;10.65,-26.39,;11.99,-27.15,;11.99,-28.69,;13.31,-29.45,;14.64,-28.69,;14.64,-27.15,;13.31,-26.37,;13.74,-27.62,;12.69,-27.97,;7.98,-24.85,;9.21,-23.95,;8.73,-22.48,;7.19,-22.49,;6.72,-23.95,)|
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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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 |r,wU:1.14,wD:1.0,5.4,(22.11,-13.32,;21.03,-14.42,;22.36,-15.18,;22.37,-16.72,;23.69,-14.41,;25.03,-15.17,;25.03,-16.71,;26.36,-17.48,;27.69,-16.71,;27.69,-15.17,;26.36,-14.4,;26.78,-15.64,;25.73,-15.99,;21.02,-12.88,;22.26,-11.97,;21.78,-10.5,;20.24,-10.51,;19.77,-11.97,;19.69,-15.19,;18.36,-14.42,;17.03,-15.19,;17.03,-16.73,;18.38,-17.5,;19.7,-16.72,)|
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 |r,wD:5.4,(-5.41,-13.09,;-6.49,-14.18,;-5.16,-14.95,;-5.15,-16.49,;-3.82,-14.18,;-2.49,-14.94,;-2.49,-16.48,;-1.16,-17.24,;.17,-16.48,;.17,-14.94,;-1.16,-14.16,;-.74,-15.41,;-1.79,-15.76,;-6.5,-12.64,;-7.75,-11.74,;-7.27,-10.27,;-5.73,-10.27,;-5.25,-11.73,;-7.82,-14.96,;-9.24,-14.33,;-10.27,-15.48,;-9.49,-16.81,;-7.99,-16.49,)|
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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n/an/a 0.200n/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))
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 |TLB:11:5:1:8.10|
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 |r,wU:1.0,wD:1.14,5.4,(-4.26,-25.82,;-5.34,-26.92,;-4.01,-27.68,;-4,-29.22,;-2.67,-26.91,;-1.34,-27.67,;-1.34,-29.21,;-.01,-29.98,;1.32,-29.21,;1.32,-27.67,;-.01,-26.9,;.41,-28.14,;-.64,-28.49,;-5.35,-25.38,;-4.11,-24.47,;-4.59,-23,;-6.13,-23.01,;-6.6,-24.47,;-6.67,-27.69,;-8.01,-26.92,;-9.34,-27.69,;-9.33,-29.23,;-7.99,-30,;-6.66,-29.22,)|
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 |r,wD:5.4,(-3.84,-.23,;-5.17,-1.01,;-3.83,-1.77,;-3.83,-3.31,;-2.5,-1,;-1.17,-1.77,;-1.17,-3.31,;.16,-4.07,;.15,-5.61,;1.47,-6.39,;2.82,-5.63,;4.14,-6.42,;5.48,-5.66,;6.81,-6.44,;8.15,-5.69,;8.16,-4.15,;6.82,-3.36,;5.49,-4.12,;1.49,-3.31,;1.49,-1.77,;.16,-.99,;.58,-2.23,;-.47,-2.58,;-6.5,-1.78,;-7.91,-1.16,;-8.94,-2.31,;-8.16,-3.64,;-6.66,-3.31,;-5.17,.53,;-6.43,1.43,;-5.96,2.9,;-4.42,2.9,;-3.94,1.44,)|
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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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))
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 |r,wD:5.4,(30.74,-.3,;29.42,-1.08,;30.75,-1.84,;30.76,-3.39,;32.08,-1.07,;33.42,-1.84,;33.42,-3.38,;34.75,-4.14,;34.74,-5.68,;36.06,-6.46,;37.41,-5.71,;38.73,-6.49,;40.07,-5.73,;41.4,-6.52,;42.74,-5.76,;42.75,-4.22,;41.42,-3.44,;40.08,-4.2,;36.08,-3.38,;36.08,-1.84,;34.75,-1.06,;35.17,-2.3,;34.12,-2.65,;28.08,-1.85,;28.08,-3.38,;26.75,-4.15,;25.41,-3.38,;25.42,-1.84,;26.75,-1.07,;26.74,.47,;28.08,1.23,;28.07,2.76,;29.39,3.53,;30.73,2.77,;30.73,1.24,;29.41,.47,)|
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 |r,wU:1.0,wD:1.7,10.10,(22.45,-25.53,;21.36,-26.62,;20.03,-27.39,;18.62,-26.77,;17.59,-27.92,;18.37,-29.25,;19.87,-28.93,;22.7,-27.39,;22.7,-28.93,;24.03,-26.61,;25.36,-27.38,;25.36,-28.92,;26.69,-29.68,;28.02,-28.92,;28.02,-27.38,;26.69,-26.6,;27.11,-27.84,;26.06,-28.19,;21.36,-25.08,;22.59,-24.17,;22.11,-22.71,;20.57,-22.71,;20.1,-24.18,)|
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 |r,wD:5.4,(23.63,.58,;22.3,-.19,;23.62,-.99,;24.97,-.23,;23.6,-2.53,;24.94,-3.3,;24.94,-4.84,;26.27,-5.6,;27.6,-4.84,;27.6,-3.3,;26.27,-2.52,;26.69,-3.76,;25.64,-4.11,;20.89,-.8,;20.39,-2.25,;18.89,-2.55,;17.87,-1.39,;18.37,.06,;19.87,.36,;20.66,1.68,;20.2,3.15,;21.24,4.28,;22.75,3.94,;23.21,2.47,;22.16,1.34,)|
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 |r,wD:5.4,(16.43,-28.66,;15.1,-29.44,;16.44,-30.21,;16.44,-31.75,;17.77,-29.43,;19.11,-30.2,;19.11,-31.74,;20.44,-32.5,;20.43,-34.05,;21.75,-34.83,;23.1,-34.07,;24.42,-34.85,;25.77,-34.1,;27.09,-34.88,;28.43,-34.13,;28.45,-32.58,;27.11,-31.8,;25.77,-32.56,;21.77,-31.74,;21.77,-30.2,;20.44,-29.42,;20.86,-30.67,;19.81,-31.02,;15.1,-27.9,;16.42,-27.13,;16.42,-25.6,;15.09,-24.84,;13.77,-25.61,;13.77,-27.13,;12.44,-27.9,;12.44,-29.44,;11.11,-30.21,;11.1,-31.75,;12.44,-32.52,;13.77,-31.75,;13.78,-30.22,)|
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 |r,wD:5.4,(13.02,-.29,;11.69,-1.07,;13.03,-1.84,;13.03,-3.38,;14.36,-1.06,;15.7,-1.83,;15.7,-3.37,;17.03,-4.13,;17.01,-5.67,;18.34,-6.45,;19.68,-5.7,;21,-6.48,;22.34,-5.73,;22.36,-4.18,;21.02,-3.4,;19.69,-4.16,;18.36,-3.37,;18.36,-1.83,;17.03,-1.05,;17.45,-2.29,;16.4,-2.64,;10.36,-1.84,;10.36,-3.37,;9.03,-4.14,;7.69,-3.37,;7.7,-1.83,;9.03,-1.07,;9.02,.47,;10.36,1.24,;10.35,2.77,;11.67,3.54,;13,2.77,;13.01,1.24,;11.68,.48,)|
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 |r,wD:5.4,(30.44,-17.2,;29.36,-18.29,;30.69,-19.06,;30.7,-20.6,;32.02,-18.28,;33.36,-19.05,;33.36,-20.59,;34.69,-21.35,;34.67,-22.89,;36,-23.67,;37.34,-22.92,;38.67,-23.7,;40.01,-22.94,;41.33,-23.73,;42.67,-22.97,;42.69,-21.43,;41.35,-20.65,;40.02,-21.41,;36.02,-20.59,;36.02,-19.05,;34.69,-18.27,;35.11,-19.51,;34.06,-19.86,;29.35,-16.75,;28.1,-15.84,;28.57,-14.38,;30.11,-14.37,;30.59,-15.84,;28.02,-19.06,;26.61,-18.44,;25.58,-19.59,;26.36,-20.92,;27.86,-20.59,)|
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 |r,wD:3.2,(-1.78,.66,;-3.13,-.09,;-3.15,-1.63,;-1.81,-2.4,;-1.81,-3.94,;-.48,-4.7,;.85,-3.94,;.85,-2.4,;-.48,-1.62,;-.06,-2.86,;-1.11,-3.21,;-4.45,.7,;-5.79,-.04,;-5.82,-1.58,;-7.17,-2.33,;-8.5,-1.53,;-8.47,.02,;-7.11,.76,;-7.09,2.3,;-5.74,3.04,;-5.72,4.57,;-4.38,5.32,;-3.05,4.53,;-3.07,2.99,;-4.42,2.25,)|
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 |r,wD:5.4,(-4.1,-13.42,;-5.19,-14.51,;-3.85,-15.28,;-3.84,-16.82,;-2.52,-14.5,;-1.18,-15.27,;-1.18,-16.81,;.15,-17.57,;.13,-19.11,;1.46,-19.89,;2.8,-19.14,;4.13,-19.92,;5.47,-19.16,;6.79,-19.95,;8.13,-19.19,;8.14,-17.65,;6.81,-16.87,;5.47,-17.63,;1.48,-16.81,;1.48,-15.27,;.15,-14.49,;.57,-15.73,;-.48,-16.08,;-5.19,-12.97,;-3.86,-12.2,;-3.86,-10.66,;-5.2,-9.89,;-6.54,-10.68,;-6.53,-12.21,;-6.52,-15.28,;-7.85,-14.51,;-9.18,-15.28,;-9.18,-16.83,;-7.83,-17.59,;-6.51,-16.81,)|
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 |r,wD:3.2,(18.52,-46.24,;18.51,-44.7,;19.84,-43.93,;21.18,-44.69,;21.18,-46.23,;22.51,-46.99,;22.49,-48.53,;23.82,-49.32,;25.16,-48.56,;26.49,-49.34,;27.83,-48.58,;29.15,-49.37,;30.49,-48.61,;30.51,-47.07,;29.17,-46.29,;27.84,-47.05,;23.84,-46.23,;23.84,-44.69,;22.51,-43.91,;22.93,-45.16,;21.88,-45.51,;17.18,-43.93,;15.84,-44.71,;14.44,-44.09,;13.41,-45.23,;14.18,-46.56,;15.69,-46.24,;17.17,-42.39,;15.92,-41.49,;16.39,-40.03,;17.93,-40.02,;18.41,-41.48,)|
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 |r,wU:1.0,wD:5.4,1.25,(-3.92,-29.37,;-5.01,-30.46,;-3.67,-31.23,;-3.67,-32.77,;-2.34,-30.45,;-1,-31.22,;-1,-32.76,;.33,-33.52,;.31,-35.06,;1.64,-35.84,;2.98,-35.09,;4.3,-35.87,;5.65,-35.11,;6.97,-35.9,;8.31,-35.14,;8.32,-33.6,;6.99,-32.82,;5.65,-33.58,;1.65,-32.76,;1.65,-31.22,;.33,-30.44,;.75,-31.69,;-.3,-32.04,;-5.01,-28.92,;-6.26,-28.02,;-5.79,-26.55,;-4.25,-26.54,;-3.77,-28.01,;-6.34,-31.24,;-7.68,-30.47,;-9.01,-31.24,;-9,-32.78,;-7.66,-33.55,;-6.33,-32.77,)|
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 |r,wD:3.2,(10.51,3.48,;10.51,1.94,;11.85,1.17,;13.18,1.94,;14.51,1.17,;15.84,1.93,;15.85,3.47,;14.51,4.25,;13.17,3.48,;13.93,2.15,;15.06,3.27,;9.18,1.17,;9.18,-.37,;7.84,-1.14,;6.51,-.36,;5.18,-1.13,;5.18,-2.67,;6.52,-3.44,;7.85,-2.66,;7.84,1.94,;7.85,3.49,;6.52,4.26,;5.19,3.49,;5.19,1.94,;6.52,1.18,)|
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 |r,wD:3.2,(.53,-12.66,;.53,-14.2,;1.87,-14.97,;3.2,-14.2,;4.53,-14.98,;5.86,-14.22,;7.19,-14.98,;8.52,-14.21,;9.85,-14.98,;11.19,-14.21,;12.51,-14.98,;13.85,-14.21,;13.85,-12.67,;12.5,-11.9,;11.18,-12.68,;5.87,-12.68,;4.54,-11.9,;3.19,-12.67,;3.95,-13.99,;5.08,-12.87,;-.8,-14.97,;-.8,-16.51,;-2.13,-17.28,;-3.54,-16.66,;-4.57,-17.8,;-3.8,-19.14,;-2.29,-18.82,;-2.13,-14.2,;-2.13,-12.66,;-3.46,-11.89,;-4.79,-12.66,;-4.79,-14.21,;-3.46,-14.97,)|
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 |r,wD:3.2,(-.81,1.63,;-.81,.09,;.52,-.68,;1.85,.09,;3.19,-.68,;4.52,.08,;5.84,-.68,;7.17,.09,;8.51,-.68,;9.84,.09,;11.17,-.69,;12.5,.08,;12.5,1.63,;11.16,2.39,;9.83,1.62,;4.52,1.62,;3.19,2.39,;1.85,1.63,;2.61,.3,;3.73,1.42,;-2.15,-.68,;-2.15,-2.22,;-3.48,-2.99,;-4.89,-2.37,;-5.92,-3.51,;-5.15,-4.84,;-3.65,-4.52,;-3.48,.09,;-3.47,1.64,;-4.8,2.41,;-6.14,1.64,;-6.13,.09,;-4.8,-.68,)|
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 |r,wD:10.10,1.20,(-1.96,.59,;-.74,.79,;.78,1.05,;1.85,-.04,;3.22,.67,;2.97,2.19,;1.44,2.42,;.24,-.4,;1.25,-.23,;-.3,-1.84,;.68,-3.03,;.11,-4.54,;1.15,-5.77,;2.75,-5.49,;3.3,-3.95,;2.27,-2.71,;1.35,-3.62,;2.14,-4.59,;-.2,2.24,;1.05,3.11,;.59,4.58,;-.95,4.59,;-1.44,3.13,)|
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 |r,wD:3.2,(-3.52,-8.18,;-3.52,-9.72,;-2.19,-10.49,;-.85,-9.72,;.48,-10.5,;1.81,-9.74,;1.82,-8.2,;.48,-7.42,;-.86,-8.19,;-.1,-9.51,;1.03,-8.39,;-4.85,-10.49,;-4.85,-12.03,;-6.19,-12.8,;-7.6,-12.18,;-8.63,-13.33,;-7.86,-14.66,;-6.36,-14.34,;-6.19,-9.72,;-6.19,-8.18,;-7.52,-7.41,;-8.85,-8.18,;-8.85,-9.73,;-7.52,-10.49,)|
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 |r,wD:3.2,(10.43,-7.93,;10.43,-9.47,;11.77,-10.24,;13.1,-9.47,;14.43,-10.25,;15.76,-9.49,;15.77,-7.95,;14.44,-7.17,;13.1,-7.94,;13.85,-9.26,;14.98,-8.14,;9.1,-10.24,;9.1,-11.78,;7.77,-12.55,;6.36,-11.94,;5.33,-13.08,;6.1,-14.41,;7.61,-14.09,;7.77,-9.47,;7.78,-7.93,;6.44,-7.16,;5.11,-7.93,;5.11,-9.48,;6.45,-10.24,)|
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 CCCCCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)C(O)(c1cccs1)c1cccs1 |r|
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 C[N+]12CCC(CC1)[C@H](C2)OC(=O)C(O)(c1cccs1)c1cccs1 |r|
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 |r,wD:3.2,(-5.14,-2.55,;-5.14,-1.01,;-3.81,-.24,;-2.47,-1,;-2.47,-2.54,;-1.14,-3.31,;-1.16,-4.85,;.17,-5.63,;1.51,-4.87,;2.83,-5.66,;4.17,-4.9,;4.19,-3.36,;2.85,-2.58,;1.52,-3.34,;.18,-2.54,;.18,-1,;-1.14,-.23,;-.72,-1.47,;-1.77,-1.82,;-6.48,-.25,;-7.81,-1.02,;-7.81,-2.55,;-9.14,-3.32,;-10.48,-2.55,;-10.47,-1.01,;-9.14,-.24,;-9.15,1.3,;-7.81,2.07,;-7.82,3.59,;-6.5,4.36,;-5.17,3.6,;-5.16,2.07,;-6.49,1.3,)|
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 |r,wD:5.4,(17.34,.29,;16.02,-.49,;17.35,-1.26,;17.36,-2.8,;18.68,-.49,;20.02,-1.25,;20.02,-2.79,;21.35,-3.55,;21.33,-5.09,;22.66,-5.88,;24,-5.12,;25.33,-5.9,;26.67,-5.15,;27.99,-5.93,;29.33,-5.17,;29.35,-3.63,;28.01,-2.85,;26.68,-3.61,;22.68,-2.79,;22.68,-1.25,;21.35,-.47,;21.77,-1.72,;20.72,-2.07,;14.69,-1.27,;13.28,-.65,;12.25,-1.79,;13.02,-3.13,;14.53,-2.8,;16.01,1.05,;14.76,1.95,;15.23,3.41,;16.77,3.42,;17.25,1.95,)|
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 |r,wD:5.4,(-3.64,.51,;-4.97,-.27,;-3.64,-1.06,;-2.3,-.31,;-3.67,-2.61,;-2.33,-3.37,;-2.33,-4.92,;-1,-5.68,;-1.01,-7.22,;.32,-8.01,;1.66,-7.25,;2.99,-8.03,;4.33,-7.27,;5.65,-8.06,;7,-7.3,;7.01,-5.76,;5.68,-4.97,;4.34,-5.74,;.33,-4.92,;.33,-3.37,;-1,-2.59,;-.58,-3.84,;-1.63,-4.19,;-6.38,-.88,;-6.87,-2.33,;-8.38,-2.63,;-9.4,-1.47,;-8.9,-.01,;-7.39,.28,;-6.6,1.61,;-7.06,3.07,;-6.02,4.2,;-4.51,3.86,;-4.06,2.39,;-5.1,1.26,)|
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 |r,wD:14.14,(21.3,-35.16,;22.63,-34.39,;23.97,-35.16,;25.3,-34.39,;25.3,-32.85,;23.97,-32.08,;23.97,-30.54,;25.2,-29.63,;24.73,-28.16,;23.19,-28.16,;22.71,-29.63,;26.63,-32.08,;26.63,-30.54,;27.97,-32.85,;29.3,-32.08,;30.63,-32.85,;31.96,-32.09,;31.97,-30.55,;30.64,-29.77,;29.3,-30.54,;30.05,-31.87,;31.18,-30.75,)|
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 |r,wD:9.8,(12.29,-26.84,;12.29,-25.3,;10.95,-24.53,;10.95,-22.99,;9.62,-22.22,;9.62,-20.68,;10.95,-19.91,;10.95,-18.37,;12.29,-20.68,;13.62,-19.91,;14.95,-20.69,;16.28,-19.92,;16.29,-18.38,;14.96,-17.61,;13.62,-18.38,;14.37,-19.7,;15.5,-18.58,;8.29,-19.91,;8.3,-18.37,;6.96,-17.6,;5.63,-18.37,;5.63,-19.92,;6.97,-20.68,)|
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 |r,wU:1.0,wD:10.10,1.31,(-5.17,-27.18,;-6.25,-28.27,;-7.58,-29.04,;-8.99,-28.42,;-10.02,-29.57,;-9.24,-30.9,;-7.74,-30.58,;-4.92,-29.03,;-4.91,-30.57,;-3.58,-28.26,;-2.25,-29.03,;-2.25,-30.57,;-.92,-31.33,;-.93,-32.87,;.39,-33.65,;1.73,-32.89,;3.06,-33.68,;4.4,-32.92,;5.72,-33.7,;7.06,-32.95,;7.08,-31.41,;5.74,-30.62,;4.41,-31.39,;.41,-30.57,;.41,-29.03,;-.92,-28.25,;-.5,-29.49,;-1.55,-29.84,;-6.26,-26.73,;-7.51,-25.83,;-7.04,-24.36,;-5.5,-24.36,;-5.02,-25.82,)|
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 |r,wD:21.22,(13.85,4.33,;13.85,2.79,;12.51,2.02,;12.52,.47,;13.85,-.29,;15.18,.47,;15.18,2.02,;16.51,-.3,;16.51,-1.84,;15.18,-2.61,;13.84,-1.83,;12.51,-2.6,;11.18,-1.83,;12.51,-4.14,;11.18,-4.92,;13.85,-4.91,;13.86,-6.45,;15.18,-4.14,;17.85,.47,;17.85,2.01,;19.18,-.3,;20.51,.47,;21.84,-.3,;23.17,.46,;23.18,2,;21.85,2.78,;20.51,2.01,;21.26,.68,;22.39,1.8,)|
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 |r,wD:5.4,(-1.32,.06,;-1.75,-1.1,;-.77,-2.29,;-1.2,-3.44,;.75,-2.03,;1.73,-3.23,;1.16,-4.74,;2.21,-5.97,;3.8,-5.68,;4.36,-4.15,;3.32,-2.91,;2.4,-3.81,;3.19,-4.79,;-3.27,-1.35,;-4.35,-.27,;-5.71,-.97,;-5.46,-2.49,;-3.94,-2.72,;-.23,-.84,;1.15,-1.49,;2.19,-.36,;1.43,.98,;-.08,.68,)|
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 [Br-].OC(C(=O)N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(12.05,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;8.5,-5.84,;8.3,-7.37,;6.88,-7.96,;5.66,-7.02,;5.86,-5.49,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)|
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 [Br-].OC(C(=O)N[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(11.66,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;5.93,-5.62,;6.21,-7.13,;7.74,-7.33,;8.4,-5.94,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)|
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))
BDBM50344269
PNG
((R)-quinuclidin-3-yl phenethyl(phenyl)carbamate | ...)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)N(CCc1ccccc1)c1ccccc1 |r,wD:3.2,(25.48,4.31,;25.48,2.77,;26.82,2,;28.15,2.77,;29.48,1.99,;30.81,2.76,;30.82,4.3,;29.49,5.07,;28.15,4.3,;28.9,2.98,;30.03,4.1,;24.15,2,;24.15,.46,;22.82,-.31,;22.82,-1.85,;21.48,-2.61,;21.48,-4.15,;22.81,-4.92,;24.15,-4.15,;24.14,-2.61,;22.82,2.77,;22.83,4.31,;21.49,5.08,;20.16,4.31,;20.16,2.76,;21.5,2,)|
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))
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 |r,wD:21.22,(-3.76,3.63,;-3.76,2.09,;-5.1,1.32,;-5.09,-.22,;-3.76,-.99,;-2.43,-.22,;-2.43,1.32,;-1.1,-.99,;-1.1,-2.53,;-2.43,-3.3,;-3.77,-2.53,;-5.1,-3.29,;-6.43,-2.52,;-5.1,-4.84,;-6.43,-5.61,;-3.76,-5.61,;-2.43,-4.83,;-1.09,-5.6,;.24,-.22,;.24,1.32,;1.57,-.99,;2.9,-.22,;4.24,-.99,;5.57,-.23,;5.57,1.31,;4.24,2.08,;2.9,1.32,;3.66,-.01,;4.78,1.11,)|
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))
BDBM50344273
PNG
((R)-quinuclidin-3-yl butyl(phenyl)carbamate | CHEM...)
Show SMILES CCCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |r,wD:8.7,(-8.01,-25.61,;-6.68,-24.84,;-6.68,-23.3,;-5.34,-22.53,;-5.34,-20.99,;-4.01,-20.22,;-4.01,-18.68,;-2.68,-20.99,;-1.34,-20.22,;-.01,-21,;1.32,-20.24,;1.33,-18.7,;-.01,-17.92,;-1.35,-18.69,;-.59,-20.01,;.54,-18.89,;-6.68,-20.22,;-6.67,-18.68,;-8,-17.91,;-9.34,-18.68,;-9.33,-20.23,;-8,-20.99,)|
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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50505088
PNG
(CHEMBL4466914)
Show SMILES [Br-].[Br-].C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(\N=N\c2c(F)cc(C[N+](C)(C)CC#CCOC3=NOCC3)cc2F)c(F)c1 |t:8,36|
Show InChI InChI=1S/C32H36F4N6O4/c1-41(2,11-5-7-13-43-29-9-15-45-39-29)21-23-17-25(33)31(26(34)18-23)37-38-32-27(35)19-24(20-28(32)36)22-42(3,4)12-6-8-14-44-30-10-16-46-40-30/h17-20H,9-16,21-22H2,1-4H3/q+2/b38-37+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Julius Maximilian University of W£rzburg

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in HEK293T cells co-expressing Galpha subunit and PLC-beta3 by split luciferase complement...


J Med Chem 62: 3009-3020 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01822
BindingDB Entry DOI: 10.7270/Q2668HG2
More data for this
Ligand-Target Pair
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