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Compile Data Set for Download or QSAR

Found 6152 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50083651
PNG
((S)-3-Hydroxy-2-(2-tetradecanoylamino-acetylamino)...)
Show SMILES CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H42N2O5/c1-2-3-4-5-6-7-8-9-10-11-15-18-24(30)27-19-25(31)28-23(20-29)26(32)33-21-22-16-13-12-14-17-22/h12-14,16-17,23,29H,2-11,15,18-21H2,1H3,(H,27,30)(H,28,31)/t23-/m0/s1
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0.00794n/an/an/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Ability to displace [3H]QNB from HM1 receptor binding to acetylcholine was evaluated by ligand inhibition assay


Bioorg Med Chem Lett 9: 3363-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00604-6
BindingDB Entry DOI: 10.7270/Q2668CDH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(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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0.00980n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human recombinant M3 receptor expressed in CHO cells after 24 hrs by filter binding assay


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50337878
PNG
((R)-1-(9-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro...)
Show SMILES O[C@@H](CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C38H48N4O5/c43-34-19-17-31(32-18-20-36(45)41-37(32)34)35(44)27-39-23-11-4-2-1-3-5-12-24-42-25-21-29(22-26-42)47-38(46)40-33-16-10-9-15-30(33)28-13-7-6-8-14-28/h6-10,13-20,29,35,39,43-44H,1-5,11-12,21-27H2,(H,40,46)(H,41,45)/t35-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay


Bioorg Med Chem Lett 21: 1354-8 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.043
BindingDB Entry DOI: 10.7270/Q2NC61HQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Bos taurus)
BDBM50055976
PNG
((R)-3-((R)-2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy...)
Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)[C@@](O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H32NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,17,19-20,25H,3,6-7,10-16H2,1H3/q+1/t17?,20-,22-,23?/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Groningen University Hospital

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M1 was determined in calf brain membrane


J Med Chem 40: 117-24 (1997)


Article DOI: 10.1021/jm960374w
BindingDB Entry DOI: 10.7270/Q2VH5PG0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50083652
PNG
(CHEMBL112297 | Hexadecanoic acid (S)-2-benzyloxyca...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1
Show InChI InChI=1S/C42H72N2O6/c1-3-5-7-9-11-13-15-16-18-20-22-24-29-33-41(47)49-36-38(42(48)50-35-37-30-26-25-27-31-37)44-40(46)34-43-39(45)32-28-23-21-19-17-14-12-10-8-6-4-2/h25-27,30-31,38H,3-24,28-29,32-36H2,1-2H3,(H,43,45)(H,44,46)/t38-/m0/s1
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0.0129n/an/an/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Ability to displace [3H]QNB from HM1 receptor binding to acetylcholine was evaluated by ligand inhibition assay


Bioorg Med Chem Lett 9: 3363-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00604-6
BindingDB Entry DOI: 10.7270/Q2668CDH
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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0.0130n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human recombinant M1 receptor expressed in CHO cells after 24 hrs by filter binding assay


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Bos taurus)
BDBM50055978
PNG
(4-((R)-2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1,...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)[C@@](O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H32NO3/c1-22(2)15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3,5-6,9-10,18-19,24H,4,7-8,11-16H2,1-2H3/q+1/t21-/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



Groningen University Hospital

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M1 was determined in calf brain membrane


J Med Chem 40: 117-24 (1997)


Article DOI: 10.1021/jm960374w
BindingDB Entry DOI: 10.7270/Q2VH5PG0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
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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0.0266n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human recombinant M5 receptor expressed in CHO cells after 24 hrs by filter binding assay


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50412728
PNG
(CHEMBL521523)
Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CC4CCNCC4)c3)ccc2F)CCN1
Show InChI InChI=1S/C32H39FN4O/c1-23-21-37(15-14-35-23)22-27-5-3-6-28(18-27)30-19-26(8-9-31(30)33)20-36-32(38)29-7-2-4-25(17-29)16-24-10-12-34-13-11-24/h2-9,17-19,23-24,34-35H,10-16,20-22H2,1H3,(H,36,38)/t23-/m0/s1
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0.0316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 51: 5915-8 (2008)


Article DOI: 10.1021/jm800935u
BindingDB Entry DOI: 10.7270/Q21G0NHB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(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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0.0316n/an/an/an/an/an/an/an/a



Theravance Biopharma, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting


J Med Chem 58: 2609-22 (2015)


Article DOI: 10.1021/jm501915g
BindingDB Entry DOI: 10.7270/Q2N29ZNQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(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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0.0340n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay


Bioorg Med Chem Lett 21: 1354-8 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.043
BindingDB Entry DOI: 10.7270/Q2NC61HQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM81768
PNG
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)
Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
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0.0350n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 260: 576-80 (1992)


BindingDB Entry DOI: 10.7270/Q28P5Z0G
More data for this
Ligand-Target Pair
CHRM5


(Homo sapiens)
BDBM81768
PNG
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)
Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
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0.0430n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 260: 576-80 (1992)


BindingDB Entry DOI: 10.7270/Q28P5Z0G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM81768
PNG
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)
Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
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0.0440n/an/an/an/an/an/an/an/a



Mayo Foundation

Curated by PDSP Ki Database




Biochem Pharmacol 45: 2352-4 (1993)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q2F76B2C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50355612
PNG
(CHEMBL1910848)
Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1ccccc1
Show InChI InChI=1S/C28H32N2O2/c1-27(2,30-20-25(21-30)32-24-16-10-5-11-17-24)18-19-28(26(29)31,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,25H,18-21H2,1-2H3,(H2,29,31)
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0.0490n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a...


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50345693
PNG
((3-endo)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethy...)
Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t22-,23-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M1 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50176723
PNG
((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-di(thiophen-...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C19H21NO2S2/c1-22-18(14-20-10-6-15(18)7-11-20)8-9-19(21,16-4-2-12-23-16)17-5-3-13-24-17/h2-5,12-13,15,21H,6-7,10-11,14H2,1H3/t18-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M3 receptor


Bioorg Med Chem Lett 16: 373-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.079
BindingDB Entry DOI: 10.7270/Q2T72J70
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50084436
PNG
(CHEMBL3426693)
Show SMILES Cc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C40H43N5O6/c1-26-23-27(24-41-25-36(47)31-12-15-35(46)39-32(31)13-16-37(48)44-39)11-14-33(26)42-38(49)19-22-45-20-17-29(18-21-45)51-40(50)43-34-10-6-5-9-30(34)28-7-3-2-4-8-28/h2-16,23,29,36,41,46-47H,17-22,24-25H2,1H3,(H,42,49)(H,43,50)(H,44,48)/t36-/m0/s1
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0.0501n/an/an/an/an/an/an/an/a



Theravance Biopharma, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting


J Med Chem 58: 2609-22 (2015)


Article DOI: 10.1021/jm501915g
BindingDB Entry DOI: 10.7270/Q2N29ZNQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(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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0.0510n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a...


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50010096
PNG
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)
Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2
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0.0510n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50267614
PNG
(4-[Hydroxy(diphenyl)methyl]-1-{2-[(phenylmethyl)ox...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1
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0.0600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M3 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50345693
PNG
((3-endo)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethy...)
Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t22-,23-/m1/s1
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0.0600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
CHRM5


(Homo sapiens)
BDBM81768
PNG
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)
Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
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0.0650n/an/an/an/an/an/an/an/a



Mayo Foundation

Curated by PDSP Ki Database




Biochem Pharmacol 45: 2352-4 (1993)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q2F76B2C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(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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0.0700n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M3 receptor


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


(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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0.0700n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M3 receptor


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


(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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0.0750n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human recombinant M3 receptor expressed in CHO cells after 2 hrs by filter binding assay


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50084443
PNG
(CHEMBL3426687)
Show SMILES O[C@@H](CNCc1ccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C39H41N5O6/c45-34-16-14-31(32-15-17-36(47)43-38(32)34)35(46)25-40-24-26-10-12-28(13-11-26)41-37(48)20-23-44-21-18-29(19-22-44)50-39(49)42-33-9-5-4-8-30(33)27-6-2-1-3-7-27/h1-17,29,35,40,45-46H,18-25H2,(H,41,48)(H,42,49)(H,43,47)/t35-/m0/s1
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0.0794n/an/an/an/an/an/an/an/a



Theravance Biopharma, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting


J Med Chem 58: 2609-22 (2015)


Article DOI: 10.1021/jm501915g
BindingDB Entry DOI: 10.7270/Q2N29ZNQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM81768
PNG
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)
Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
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0.0800n/an/an/an/an/an/an/an/a



Mayo Foundation

Curated by PDSP Ki Database




Biochem Pharmacol 45: 2352-4 (1993)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q2F76B2C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(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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0.0800n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M3 receptor


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


(Homo sapiens (Human))
BDBM50176735
PNG
((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-di(thiophen-...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccsc1)c1ccsc1
Show InChI InChI=1S/C19H21NO2S2/c1-22-18(14-20-8-2-15(18)3-9-20)6-7-19(21,16-4-10-23-12-16)17-5-11-24-13-17/h4-5,10-13,15,21H,2-3,8-9,14H2,1H3/t18-/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M3 receptor


Bioorg Med Chem Lett 16: 373-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.079
BindingDB Entry DOI: 10.7270/Q2T72J70
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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0.0800n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


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))
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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0.0800n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


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


(Homo sapiens (Human))
BDBM81768
PNG
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)
Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
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0.0880n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 260: 576-80 (1992)


BindingDB Entry DOI: 10.7270/Q28P5Z0G
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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0.0900n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


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


(Homo sapiens (Human))
BDBM50343152
PNG
(CHEMBL1773196 | N-(3-(3-((R)-3-(diisopropylamino)-...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(CC(C)(C)NC[C@H](O)c3ccc(O)c(CO)c3)c2)ccc1O)C(C)C
Show InChI InChI=1S/C45H61N3O5/c1-31(2)48(32(3)4)23-21-39(36-15-8-7-9-16-36)40-25-33(17-19-42(40)51)14-11-22-46-44(53)26-34-12-10-13-35(24-34)28-45(5,6)47-29-43(52)37-18-20-41(50)38(27-37)30-49/h7-10,12-13,15-20,24-25,27,31-32,39,43,47,49-52H,11,14,21-23,26,28-30H2,1-6H3,(H,46,53)/t39-,43+/m1/s1
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0.0910n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2759-63 (2011)


Article DOI: 10.1016/j.bmcl.2010.10.132
BindingDB Entry DOI: 10.7270/Q2G73F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50241132
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1
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0.0955n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 22 hrs by liquid scinti...


J Med Chem 55: 2125-43 (2012)


Article DOI: 10.1021/jm201348t
BindingDB Entry DOI: 10.7270/Q2XW4KZ2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM103758
PNG
(US8551978, I-27 | US8816088, I-27 | US9394275, I-2...)
Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(c1)C(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1C
Show InChI InChI=1S/C48H50N6O7/c1-31-27-32(29-49-30-43(56)38-16-19-42(55)46-39(38)17-20-44(57)52-46)15-18-40(31)50-47(59)34-11-8-12-35(28-34)53(2)45(58)23-26-54-24-21-36(22-25-54)61-48(60)51-41-14-7-6-13-37(41)33-9-4-3-5-10-33/h3-20,27-28,36,43,49,55-56H,21-26,29-30H2,1-2H3,(H,50,59)(H,51,60)(H,52,57)/t43-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Respiratory Company, LLC

US Patent


Assay Description
Displacement assays for determination of Ki values of test compounds were performed with [3H]-NMS at 1 nM and eleven different test compound concentr...


US Patent US9394275 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SS8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM103760
PNG
(US8551978, I-29 | US8816088, I-29 | US9394275, I-2...)
Show SMILES COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)c1cccc(c1)N(C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C48H50N6O8/c1-53(45(58)23-26-54-24-21-35(22-25-54)62-48(60)51-39-14-7-6-13-36(39)32-9-4-3-5-10-32)34-12-8-11-33(28-34)47(59)50-40-18-15-31(27-43(40)61-2)29-49-30-42(56)37-16-19-41(55)46-38(37)17-20-44(57)52-46/h3-20,27-28,35,42,49,55-56H,21-26,29-30H2,1-2H3,(H,50,59)(H,51,60)(H,52,57)/t42-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Respiratory Company, LLC

US Patent


Assay Description
Displacement assays for determination of Ki values of test compounds were performed with [3H]-NMS at 1 nM and eleven different test compound concentr...


US Patent US9394275 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SS8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM103773
PNG
(US8551978, I-43 | US8816088, I-43 | US9394275, I-4...)
Show SMILES C[C@@H](Cc1ccc(NC(=O)c2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C49H52N6O7/c1-32(50-31-44(57)40-19-21-43(56)47-41(40)20-22-45(58)53-47)29-33-15-17-36(18-16-33)51-48(60)35-11-8-12-37(30-35)54(2)46(59)25-28-55-26-23-38(24-27-55)62-49(61)52-42-14-7-6-13-39(42)34-9-4-3-5-10-34/h3-22,30,32,38,44,50,56-57H,23-29,31H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)/t32-,44-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Respiratory Company, LLC

US Patent


Assay Description
Displacement assays for determination of Ki values of test compounds were performed with [3H]-NMS at 1 nM and eleven different test compound concentr...


US Patent US9394275 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SS8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM103779
PNG
(US8551978, I-49 | US8816088, I-49 | US9394275, I-4...)
Show SMILES C[C@@H](Cc1ccc(CNC(=O)c2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C50H54N6O7/c1-33(51-32-45(58)41-19-21-44(57)48-42(41)20-22-46(59)54-48)29-34-15-17-35(18-16-34)31-52-49(61)37-11-8-12-38(30-37)55(2)47(60)25-28-56-26-23-39(24-27-56)63-50(62)53-43-14-7-6-13-40(43)36-9-4-3-5-10-36/h3-22,30,33,39,45,51,57-58H,23-29,31-32H2,1-2H3,(H,52,61)(H,53,62)(H,54,59)/t33-,45-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Respiratory Company, LLC

US Patent


Assay Description
Displacement assays for determination of Ki values of test compounds were performed with [3H]-NMS at 1 nM and eleven different test compound concentr...


US Patent US9394275 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SS8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM103776
PNG
(US8551978, I-46 | US8816088, I-46 | US9394275, I-4...)
Show SMILES CC(Cc1ccc(CNC(=O)c2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C50H54N6O7/c1-33(51-32-45(58)41-19-21-44(57)48-42(41)20-22-46(59)54-48)29-34-15-17-35(18-16-34)31-52-49(61)37-11-8-12-38(30-37)55(2)47(60)25-28-56-26-23-39(24-27-56)63-50(62)53-43-14-7-6-13-40(43)36-9-4-3-5-10-36/h3-22,30,33,39,45,51,57-58H,23-29,31-32H2,1-2H3,(H,52,61)(H,53,62)(H,54,59)/t33?,45-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Respiratory Company, LLC

US Patent


Assay Description
Displacement assays for determination of Ki values of test compounds were performed with [3H]-NMS at 1 nM and eleven different test compound concentr...


US Patent US9394275 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SS8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM103783
PNG
(US8551978, I-53 | US8816088, I-53 | US9682957, I-5...)
Show SMILES CC(Cc1ccc(CC(=O)Nc2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C50H54N6O7/c1-33(51-32-45(58)41-19-21-44(57)49-42(41)20-22-46(59)54-49)29-34-15-17-35(18-16-34)30-47(60)52-37-11-8-12-38(31-37)55(2)48(61)25-28-56-26-23-39(24-27-56)63-50(62)53-43-14-7-6-13-40(43)36-9-4-3-5-10-36/h3-22,31,33,39,45,51,57-58H,23-30,32H2,1-2H3,(H,52,60)(H,53,62)(H,54,59)/t33?,45-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Respiratory Company, LLC

US Patent


Assay Description
Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 μL. CHO ce...


US Patent US9682957 (2017)


BindingDB Entry DOI: 10.7270/Q23776WR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM103787
PNG
(US8551978, I-57 | US8816088, I-57 | US9682957, I-5...)
Show SMILES C[C@H](Cc1ccc(CCNC(=O)c2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C51H56N6O7/c1-34(53-33-46(59)42-20-22-45(58)49-43(42)21-23-47(60)55-49)32-36-14-12-35(13-15-36)24-28-52-50(62)38-16-18-39(19-17-38)56(2)48(61)27-31-57-29-25-40(26-30-57)64-51(63)54-44-11-7-6-10-41(44)37-8-4-3-5-9-37/h3-23,34,40,46,53,58-59H,24-33H2,1-2H3,(H,52,62)(H,54,63)(H,55,60)/t34-,46+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Respiratory Company, LLC

US Patent


Assay Description
Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 μL. CHO ce...


US Patent US9682957 (2017)


BindingDB Entry DOI: 10.7270/Q23776WR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM103789
PNG
(US8551978, I-59 | US8816088, I-59 | US9394275, I-5...)
Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1
Show InChI InChI=1S/C48H50N6O7/c1-53(46(59)24-27-54-25-22-37(23-26-54)61-48(60)51-41-13-6-5-12-38(41)34-9-3-2-4-10-34)36-11-7-8-33(28-36)29-45(58)50-35-16-14-32(15-17-35)30-49-31-43(56)39-18-20-42(55)47-40(39)19-21-44(57)52-47/h2-21,28,37,43,49,55-56H,22-27,29-31H2,1H3,(H,50,58)(H,51,60)(H,52,57)/t43-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Respiratory Company, LLC

US Patent


Assay Description
Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 μL. CHO ce...


US Patent US9682957 (2017)


BindingDB Entry DOI: 10.7270/Q23776WR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM103790
PNG
(US8551978, I-60 | US8816088, I-60 | US9394275, I-6...)
Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2cc(C)c(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2C)c1
Show InChI InChI=1S/C50H54N6O7/c1-32-27-43(33(2)26-36(32)30-51-31-45(58)40-16-18-44(57)49-41(40)17-19-46(59)54-49)52-47(60)29-34-10-9-13-37(28-34)55(3)48(61)22-25-56-23-20-38(21-24-56)63-50(62)53-42-15-8-7-14-39(42)35-11-5-4-6-12-35/h4-19,26-28,38,45,51,57-58H,20-25,29-31H2,1-3H3,(H,52,60)(H,53,62)(H,54,59)/t45-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Respiratory Company, LLC

US Patent


Assay Description
Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 μL. CHO ce...


US Patent US9682957 (2017)


BindingDB Entry DOI: 10.7270/Q23776WR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM103791
PNG
(US8551978, I-61 | US8816088, I-61 | US9394275, I-6...)
Show SMILES COc1cc(NC(=O)Cc2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C49H51ClN6O8/c1-55(47(61)21-24-56-22-19-35(20-23-56)64-49(62)53-40-14-7-6-13-36(40)32-10-4-3-5-11-32)34-12-8-9-31(25-34)26-46(60)52-41-28-44(63-2)33(27-39(41)50)29-51-30-43(58)37-15-17-42(57)48-38(37)16-18-45(59)54-48/h3-18,25,27-28,35,43,51,57-58H,19-24,26,29-30H2,1-2H3,(H,52,60)(H,53,62)(H,54,59)/t43-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Respiratory Company, LLC

US Patent


Assay Description
Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 μL. CHO ce...


US Patent US9682957 (2017)


BindingDB Entry DOI: 10.7270/Q23776WR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM103792
PNG
(US8551978, I-62 | US8816088, I-62 | US9394275, I-6...)
Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1
Show InChI InChI=1S/C49H52N6O7/c1-54(47(60)24-28-55-26-22-38(23-27-55)62-49(61)52-42-16-6-5-15-39(42)35-11-3-2-4-12-35)37-14-8-10-34(30-37)31-46(59)51-36-13-7-9-33(29-36)21-25-50-32-44(57)40-17-19-43(56)48-41(40)18-20-45(58)53-48/h2-20,29-30,38,44,50,56-57H,21-28,31-32H2,1H3,(H,51,59)(H,52,61)(H,53,58)/t44-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Respiratory Company, LLC

US Patent


Assay Description
Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 μL. CHO ce...


US Patent US9682957 (2017)


BindingDB Entry DOI: 10.7270/Q23776WR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM103793
PNG
(US8551978, I-63 | US8816088, I-63 | US9394275, I-6...)
Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1
Show InChI InChI=1S/C49H52N6O7/c1-54(47(60)25-29-55-27-23-38(24-28-55)62-49(61)52-42-13-6-5-12-39(42)35-9-3-2-4-10-35)37-11-7-8-34(30-37)31-46(59)51-36-16-14-33(15-17-36)22-26-50-32-44(57)40-18-20-43(56)48-41(40)19-21-45(58)53-48/h2-21,30,38,44,50,56-57H,22-29,31-32H2,1H3,(H,51,59)(H,52,61)(H,53,58)/t44-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Respiratory Company, LLC

US Patent


Assay Description
Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 μL. CHO ce...


US Patent US9682957 (2017)


BindingDB Entry DOI: 10.7270/Q23776WR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM103795
PNG
(US8551978, I-65 | US8816088, I-65 | US9394275, I-6...)
Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(CC(=O)NCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1
Show InChI InChI=1S/C50H54N6O7/c1-55(48(61)25-29-56-27-23-39(24-28-56)63-50(62)53-43-13-6-5-12-40(43)37-10-3-2-4-11-37)38-16-14-35(15-17-38)31-47(60)52-32-36-9-7-8-34(30-36)22-26-51-33-45(58)41-18-20-44(57)49-42(41)19-21-46(59)54-49/h2-21,30,39,45,51,57-58H,22-29,31-33H2,1H3,(H,52,60)(H,53,62)(H,54,59)/t45-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Respiratory Company, LLC

US Patent


Assay Description
Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 μL. CHO ce...


US Patent US9682957 (2017)


BindingDB Entry DOI: 10.7270/Q23776WR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM103796
PNG
(US8551978, 322 | US8551978, 323 | US8816088, I-66 ...)
Show SMILES CC(Cc1ccc(CNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C51H56N6O7/c1-34(52-33-46(59)42-20-22-45(58)50-43(42)21-23-47(60)55-50)30-35-12-14-37(15-13-35)32-53-48(61)31-36-16-18-39(19-17-36)56(2)49(62)26-29-57-27-24-40(25-28-57)64-51(63)54-44-11-7-6-10-41(44)38-8-4-3-5-9-38/h3-23,34,40,46,52,58-59H,24-33H2,1-2H3,(H,53,61)(H,54,63)(H,55,60)/t34?,46-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Respiratory Company, LLC

US Patent


Assay Description
Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 μL. CHO ce...


US Patent US9682957 (2017)


BindingDB Entry DOI: 10.7270/Q23776WR
More data for this
Ligand-Target Pair
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