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Compile Data Set for Download or QSAR

Found 6047 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


(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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n/an/an/a 0.0100n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
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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n/an/an/a 0.0100n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells assessed as acetylcholine-induced change in cytosolic calcium concentrati...


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))
BDBM50412346
PNG
(CHEMBL540396)
Show SMILES Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(s3)C(=O)OC3CCCCC3)[n+](Cc3ccc4ccccc4c3)c2s1
Show InChI InChI=1S/C39H39N5O5S2/c1-25-22-43-24-30(44(39(43)50-25)23-27-11-14-28-7-5-6-8-29(28)19-27)21-40-36(46)33(20-26-12-15-31(45)16-13-26)41-38(48)42-35-18-17-34(51-35)37(47)49-32-9-3-2-4-10-32/h5-8,11-19,22,24,32-33H,2-4,9-10,20-21,23H2,1H3,(H3-,40,41,42,45,46,47,48)/p+1/t33-/m0/s1
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n/an/an/a 0.0126n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


J Med Chem 51: 4866-9 (2008)


Article DOI: 10.1021/jm800634k
BindingDB Entry DOI: 10.7270/Q2MG7QQS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50413109
PNG
(CHEMBL553448)
Show SMILES C[N+]1(Cc2ccc(O)cc2)CCC[C@@H](C1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(s1)C(=O)OC1CCCCC1
Show InChI InChI=1S/C34H42N4O6S/c1-38(21-24-11-15-27(40)16-12-24)19-5-6-25(22-38)35-32(41)29(20-23-9-13-26(39)14-10-23)36-34(43)37-31-18-17-30(45-31)33(42)44-28-7-3-2-4-8-28/h9-18,25,28-29H,2-8,19-22H2,1H3,(H4-,35,36,37,39,40,41,42,43)/p+1/t25-,29-,38?/m0/s1
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n/an/an/a 0.0200n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced intracellular ...


Bioorg Med Chem Lett 18: 5481-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50412345
PNG
(CHEMBL539887)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCc2cn3cc(C)sc3[n+]2Cc2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C38H37N5O5S/c1-24(2)48-36(46)29-12-14-31(15-13-29)40-37(47)41-34(19-26-9-16-33(44)17-10-26)35(45)39-20-32-23-42-21-25(3)49-38(42)43(32)22-27-8-11-28-6-4-5-7-30(28)18-27/h4-18,21,23-24,34H,19-20,22H2,1-3H3,(H3-,39,40,41,44,45,46,47)/p+1/t34-/m0/s1
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n/an/an/a 0.0251n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


J Med Chem 51: 4866-9 (2008)


Article DOI: 10.1021/jm800634k
BindingDB Entry DOI: 10.7270/Q2MG7QQS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50381652
PNG
(CHEMBL2023760)
Show SMILES C[N@+]1(CC2CC2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C27H33N2/c1-29(19-21-12-13-21)25-14-15-26(29)17-22(16-25)18-27(20-28,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,21-22,25-26H,12-19H2,1H3/q+1/t22-,25?,26?,29-
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n/an/an/a 0.0251n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
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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n/an/an/a 0.0300n/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Binding of [3H]-QNB to HM1 receptor was evaluated by saturation binding 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))
BDBM50413457
PNG
(CHEMBL521696)
Show SMILES CC1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCN(C)CC4)c3)ccc2F)CCN1
Show InChI InChI=1S/C32H40FN5O/c1-24-21-38(12-11-34-24)23-26-5-3-7-28(17-26)30-19-25(9-10-31(30)33)20-35-32(39)29-8-4-6-27(18-29)22-37-15-13-36(2)14-16-37/h3-10,17-19,24,34H,11-16,20-23H2,1-2H3,(H,35,39)
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n/an/an/a 0.0316n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50381653
PNG
(CHEMBL2021997)
Show SMILES C[N@+]1(CCCOCc2ccccc2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C33H39N2O/c1-35(20-11-21-36-25-27-12-5-2-6-13-27)31-18-19-32(35)23-28(22-31)24-33(26-34,29-14-7-3-8-15-29)30-16-9-4-10-17-30/h2-10,12-17,28,31-32H,11,18-25H2,1H3/q+1/t28-,31?,32?,35-
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n/an/an/a 0.0398n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
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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n/an/an/a 0.0400n/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Binding of [3H]-QNB to HM1 receptor was evaluated by saturation binding 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))
BDBM50381640
PNG
(CHEMBL2023613)
Show SMILES CCC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C26H33N2/c1-3-16-28(2)24-14-15-25(28)18-21(17-24)19-26(20-27,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,21,24-25H,3,14-19H2,1-2H3/q+1/t21-,24?,25?,28?
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n/an/an/a 0.0501n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50381647
PNG
(CHEMBL2023612)
Show SMILES CC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C25H31N2/c1-3-27(2)23-14-15-24(27)17-20(16-23)18-25(19-26,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,20,23-24H,3,14-18H2,1-2H3/q+1/t20-,23?,24?,27?
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n/an/an/a 0.0501n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50381646
PNG
(CHEMBL2023749)
Show SMILES C[N+]1(CC2CC2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C27H33N2/c1-29(19-21-12-13-21)25-14-15-26(29)17-22(16-25)18-27(20-28,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,21-22,25-26H,12-19H2,1H3/q+1/t22-,25?,26?,29?
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n/an/an/a 0.0501n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50412731
PNG
(CHEMBL493266)
Show SMILES CCC(=O)c1cccc(c1)C(=O)NCc1ccc(F)c(c1)-c1cccc(CN2CCN[C@@H](C)C2)c1
Show InChI InChI=1S/C29H32FN3O2/c1-3-28(34)24-8-5-9-25(16-24)29(35)32-17-21-10-11-27(30)26(15-21)23-7-4-6-22(14-23)19-33-13-12-31-20(2)18-33/h4-11,14-16,20,31H,3,12-13,17-19H2,1-2H3,(H,32,35)/t20-/m0/s1
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n/an/an/a 0.0501n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells assessed as acetylcholine-induced change in cytosolic calcium concentrati...


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))
BDBM50412732
PNG
(CHEMBL493265)
Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(c3)C(C)=O)ccc2F)CCN1
Show InChI InChI=1S/C28H30FN3O2/c1-19-17-32(12-11-30-19)18-22-5-3-7-24(13-22)26-14-21(9-10-27(26)29)16-31-28(34)25-8-4-6-23(15-25)20(2)33/h3-10,13-15,19,30H,11-12,16-18H2,1-2H3,(H,31,34)/t19-/m0/s1
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n/an/an/a 0.0501n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells assessed as acetylcholine-induced change in cytosolic calcium concentrati...


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))
BDBM50413458
PNG
(CHEMBL508097)
Show SMILES CC1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCN(CCCO)CC4)c3)ccc2F)CCN1
Show InChI InChI=1S/C34H44FN5O2/c1-26-23-40(13-11-36-26)25-28-5-2-7-30(19-28)32-21-27(9-10-33(32)35)22-37-34(42)31-8-3-6-29(20-31)24-39-16-14-38(15-17-39)12-4-18-41/h2-3,5-10,19-21,26,36,41H,4,11-18,22-25H2,1H3,(H,37,42)
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n/an/an/a 0.0631n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50413468
PNG
(CHEMBL554706)
Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CC[N+](C)(Cc5ccccc5)CC4)c3)ccc2F)CCN1
Show InChI InChI=1S/C39H46FN5O/c1-30-26-44(17-16-41-30)28-33-10-6-12-35(22-33)37-24-32(14-15-38(37)40)25-42-39(46)36-13-7-11-34(23-36)27-43-18-20-45(2,21-19-43)29-31-8-4-3-5-9-31/h3-15,22-24,30,41H,16-21,25-29H2,1-2H3/p+1/t30-/m0/s1
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n/an/an/a 0.0794n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50413461
PNG
(CHEMBL495350)
Show SMILES CC1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCN(CC4)C=O)c3)ccc2F)CCN1
Show InChI InChI=1S/C32H38FN5O2/c1-24-20-38(11-10-34-24)22-26-4-2-6-28(16-26)30-18-25(8-9-31(30)33)19-35-32(40)29-7-3-5-27(17-29)21-36-12-14-37(23-39)15-13-36/h2-9,16-18,23-24,34H,10-15,19-22H2,1H3,(H,35,40)
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n/an/an/a 0.0794n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50381655
PNG
(CHEMBL2021998)
Show SMILES CCCCCCCC[N@@+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C31H43N2/c1-3-4-5-6-7-14-21-33(2)29-19-20-30(33)23-26(22-29)24-31(25-32,27-15-10-8-11-16-27)28-17-12-9-13-18-28/h8-13,15-18,26,29-30H,3-7,14,19-24H2,1-2H3/q+1/t26-,29?,30?,33-
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n/an/an/a 0.0794n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50413108
PNG
(CHEMBL540145)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC=C)(Cc3cccc(O)c3)C2)cc1
Show InChI InChI=1S/C35H42N4O6/c1-4-18-39(22-26-7-5-9-31(41)20-26)19-6-8-29(23-39)36-33(42)32(21-25-10-16-30(40)17-11-25)38-35(44)37-28-14-12-27(13-15-28)34(43)45-24(2)3/h4-5,7,9-17,20,24,29,32H,1,6,8,18-19,21-23H2,2-3H3,(H4-,36,37,38,40,41,42,43,44)/p+1/t29-,32-,39?/m0/s1
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n/an/an/a 0.100n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced intracellular ...


Bioorg Med Chem Lett 18: 5481-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50413467
PNG
(CHEMBL540251)
Show SMILES CCC[N+]1(C)CCN(Cc2cccc(c2)C(=O)NCc2ccc(F)c(c2)-c2cccc(CN3CCN[C@@H](C)C3)c2)CC1
Show InChI InChI=1S/C35H46FN5O/c1-4-17-41(3)18-15-39(16-19-41)25-30-8-6-10-32(21-30)35(42)38-23-28-11-12-34(36)33(22-28)31-9-5-7-29(20-31)26-40-14-13-37-27(2)24-40/h5-12,20-22,27,37H,4,13-19,23-26H2,1-3H3/p+1/t27-/m0/s1
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n/an/an/a 0.100n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50413110
PNG
(CHEMBL540148)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)s1
Show InChI InChI=1S/C31H38N4O6S/c1-20(2)41-30(39)27-14-15-28(42-27)34-31(40)33-26(17-21-6-10-24(36)11-7-21)29(38)32-23-5-4-16-35(3,19-23)18-22-8-12-25(37)13-9-22/h6-15,20,23,26H,4-5,16-19H2,1-3H3,(H4-,32,33,34,36,37,38,39,40)/p+1/t23-,26-,35?/m0/s1
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n/an/an/a 0.100n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced intracellular ...


Bioorg Med Chem Lett 18: 5481-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50412340
PNG
(CHEMBL540359)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1
Show InChI InChI=1S/C33H40N4O6/c1-22(2)43-32(41)25-11-13-26(14-12-25)35-33(42)36-30(19-23-9-15-28(38)16-10-23)31(40)34-27-7-5-17-37(3,21-27)20-24-6-4-8-29(39)18-24/h4,6,8-16,18,22,27,30H,5,7,17,19-21H2,1-3H3,(H4-,34,35,36,38,39,40,41,42)/p+1/t27-,30-,37?/m0/s1
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n/an/an/a 0.126n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced intracellular ...


Bioorg Med Chem Lett 18: 5481-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50413476
PNG
(CHEMBL539886)
Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CC[N+]5(CCCCC5)CC4)c3)ccc2F)CCN1
Show InChI InChI=1S/C36H46FN5O/c1-28-25-41(14-13-38-28)27-30-7-5-9-32(21-30)34-23-29(11-12-35(34)37)24-39-36(43)33-10-6-8-31(22-33)26-40-15-19-42(20-16-40)17-3-2-4-18-42/h5-12,21-23,28,38H,2-4,13-20,24-27H2,1H3/p+1/t28-/m0/s1
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n/an/an/a 0.126n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50413462
PNG
(CHEMBL495358)
Show SMILES CC1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCOCC4)c3)ccc2F)CCN1
Show InChI InChI=1S/C31H37FN4O2/c1-23-20-36(11-10-33-23)22-25-4-2-6-27(16-25)29-18-24(8-9-30(29)32)19-34-31(37)28-7-3-5-26(17-28)21-35-12-14-38-15-13-35/h2-9,16-18,23,33H,10-15,19-22H2,1H3,(H,34,37)
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n/an/an/a 0.126n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50412340
PNG
(CHEMBL540359)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1
Show InChI InChI=1S/C33H40N4O6/c1-22(2)43-32(41)25-11-13-26(14-12-25)35-33(42)36-30(19-23-9-15-28(38)16-10-23)31(40)34-27-7-5-17-37(3,21-27)20-24-6-4-8-29(39)18-24/h4,6,8-16,18,22,27,30H,5,7,17,19-21H2,1-3H3,(H4-,34,35,36,38,39,40,41,42)/p+1/t27-,30-,37?/m0/s1
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n/an/an/a 0.126n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


J Med Chem 51: 4866-9 (2008)


Article DOI: 10.1021/jm800634k
BindingDB Entry DOI: 10.7270/Q2MG7QQS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412340
PNG
(CHEMBL540359)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1
Show InChI InChI=1S/C33H40N4O6/c1-22(2)43-32(41)25-11-13-26(14-12-25)35-33(42)36-30(19-23-9-15-28(38)16-10-23)31(40)34-27-7-5-17-37(3,21-27)20-24-6-4-8-29(39)18-24/h4,6,8-16,18,22,27,30H,5,7,17,19-21H2,1-3H3,(H4-,34,35,36,38,39,40,41,42)/p+1/t27-,30-,37?/m0/s1
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n/an/an/a 0.126n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic acetylcholine M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


J Med Chem 51: 4866-9 (2008)


Article DOI: 10.1021/jm800634k
BindingDB Entry DOI: 10.7270/Q2MG7QQS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50412729
PNG
(CHEMBL492437)
Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCNCC4)c3)ccc2F)CCN1
Show InChI InChI=1S/C31H38FN5O/c1-23-20-37(15-12-34-23)22-25-4-2-6-27(16-25)29-18-24(8-9-30(29)32)19-35-31(38)28-7-3-5-26(17-28)21-36-13-10-33-11-14-36/h2-9,16-18,23,33-34H,10-15,19-22H2,1H3,(H,35,38)/t23-/m0/s1
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n/an/an/a 0.158n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells assessed as acetylcholine-induced change in cytosolic calcium concentrati...


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))
BDBM50381648
PNG
(CHEMBL2023750)
Show SMILES C[N+]1(CCO)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C25H31N2O/c1-27(14-15-28)23-12-13-24(27)17-20(16-23)18-25(19-26,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,20,23-24,28H,12-18H2,1H3/q+1/t20-,23?,24?,27?
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n/an/an/a 0.158n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50381651
PNG
(CHEMBL2023753)
Show SMILES C[N+]1(CCCC#N)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C27H32N3/c1-30(17-9-8-16-28)25-14-15-26(30)19-22(18-25)20-27(21-29,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-7,10-13,22,25-26H,8-9,14-15,17-20H2,1H3/q+1/t22-,25?,26?,30?
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n/an/an/a 0.158n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50412729
PNG
(CHEMBL492437)
Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCNCC4)c3)ccc2F)CCN1
Show InChI InChI=1S/C31H38FN5O/c1-23-20-37(15-12-34-23)22-25-4-2-6-27(16-25)29-18-24(8-9-30(29)32)19-35-31(38)28-7-3-5-26(17-28)21-36-13-10-33-11-14-36/h2-9,16-18,23,33-34H,10-15,19-22H2,1H3,(H,35,38)/t23-/m0/s1
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n/an/an/a 0.158n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50412733
PNG
(CHEMBL538864 | CHEMBL555476)
Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CC[N+](C)(C)CC4)c3)ccc2F)CCN1
Show InChI InChI=1S/C33H42FN5O/c1-25-22-38(13-12-35-25)24-27-6-4-8-29(18-27)31-20-26(10-11-32(31)34)21-36-33(40)30-9-5-7-28(19-30)23-37-14-16-39(2,3)17-15-37/h4-11,18-20,25,35H,12-17,21-24H2,1-3H3/p+1/t25-/m0/s1
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n/an/an/a 0.158n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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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n/an/an/a 0.200n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50413460
PNG
(CHEMBL494837)
Show SMILES CC1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN(C)CCCN(C)C)c3)ccc2F)CCN1
Show InChI InChI=1S/C33H44FN5O/c1-25-22-39(17-14-35-25)24-28-9-5-10-29(18-28)31-20-26(12-13-32(31)34)21-36-33(40)30-11-6-8-27(19-30)23-38(4)16-7-15-37(2)3/h5-6,8-13,18-20,25,35H,7,14-17,21-24H2,1-4H3,(H,36,40)
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n/an/an/a 0.200n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50412730
PNG
(CHEMBL493465)
Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(c3)C#N)ccc2F)CCN1
Show InChI InChI=1S/C27H27FN4O/c1-19-17-32(11-10-30-19)18-22-5-3-6-23(13-22)25-14-21(8-9-26(25)28)16-31-27(33)24-7-2-4-20(12-24)15-29/h2-9,12-14,19,30H,10-11,16-18H2,1H3,(H,31,33)/t19-/m0/s1
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n/an/an/a 0.251n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells assessed as acetylcholine-induced change in cytosolic calcium concentrati...


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))
BDBM50413459
PNG
(CHEMBL523044)
Show SMILES CC1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCCN(C)CC4)c3)ccc2F)CCN1
Show InChI InChI=1S/C33H42FN5O/c1-25-22-39(15-12-35-25)24-27-6-3-8-29(18-27)31-20-26(10-11-32(31)34)21-36-33(40)30-9-4-7-28(19-30)23-38-14-5-13-37(2)16-17-38/h3-4,6-11,18-20,25,35H,5,12-17,21-24H2,1-2H3,(H,36,40)
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n/an/an/a 0.251n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412346
PNG
(CHEMBL540396)
Show SMILES Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(s3)C(=O)OC3CCCCC3)[n+](Cc3ccc4ccccc4c3)c2s1
Show InChI InChI=1S/C39H39N5O5S2/c1-25-22-43-24-30(44(39(43)50-25)23-27-11-14-28-7-5-6-8-29(28)19-27)21-40-36(46)33(20-26-12-15-31(45)16-13-26)41-38(48)42-35-18-17-34(51-35)37(47)49-32-9-3-2-4-10-32/h5-8,11-19,22,24,32-33H,2-4,9-10,20-21,23H2,1H3,(H3-,40,41,42,45,46,47,48)/p+1/t33-/m0/s1
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n/an/an/a 0.316n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic acetylcholine M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


J Med Chem 51: 4866-9 (2008)


Article DOI: 10.1021/jm800634k
BindingDB Entry DOI: 10.7270/Q2MG7QQS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50381650
PNG
(CHEMBL2023752)
Show SMILES COCC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C26H33N2O/c1-28(15-16-29-2)24-13-14-25(28)18-21(17-24)19-26(20-27,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,21,24-25H,13-19H2,1-2H3/q+1/t21-,24?,25?,28?
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n/an/an/a 0.501n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50413463
PNG
(CHEMBL522495)
Show SMILES CC1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCCCC4)c3)ccc2F)CCN1
Show InChI InChI=1S/C32H39FN4O/c1-24-21-37(16-13-34-24)23-26-7-5-9-28(17-26)30-19-25(11-12-31(30)33)20-35-32(38)29-10-6-8-27(18-29)22-36-14-3-2-4-15-36/h5-12,17-19,24,34H,2-4,13-16,20-23H2,1H3,(H,35,38)
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n/an/an/a 0.631n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50381641
PNG
(CHEMBL2023758)
Show SMILES COCCOCC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C28H37N2O2/c1-30(15-16-32-18-17-31-2)26-13-14-27(30)20-23(19-26)21-28(22-29,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,23,26-27H,13-21H2,1-2H3/q+1/t23-,26?,27?,30?
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n/an/an/a 0.631n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50413107
PNG
(CHEMBL550885)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC3CC3)(CC3CC3)C2)cc1
Show InChI InChI=1S/C33H44N4O5/c1-22(2)42-32(40)26-11-13-27(14-12-26)35-33(41)36-30(18-23-9-15-29(38)16-10-23)31(39)34-28-4-3-17-37(21-28,19-24-5-6-24)20-25-7-8-25/h9-16,22,24-25,28,30H,3-8,17-21H2,1-2H3,(H3-,34,35,36,38,39,40,41)/p+1/t28-,30-/m0/s1
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n/an/an/a 0.631n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced intracellular ...


Bioorg Med Chem Lett 18: 5481-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50413113
PNG
(CHEMBL555706)
Show SMILES CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1
Show InChI InChI=1S/C33H41N5O5/c1-22(2)34-31(41)25-10-12-26(13-11-25)36-33(43)37-30(19-23-6-14-28(39)15-7-23)32(42)35-27-5-4-18-38(3,21-27)20-24-8-16-29(40)17-9-24/h6-17,22,27,30H,4-5,18-21H2,1-3H3,(H5-,34,35,36,37,39,40,41,42,43)/p+1/t27-,30-,38?/m0/s1
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n/an/an/a 0.631n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced intracellular ...


Bioorg Med Chem Lett 18: 5481-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412345
PNG
(CHEMBL539887)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCc2cn3cc(C)sc3[n+]2Cc2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C38H37N5O5S/c1-24(2)48-36(46)29-12-14-31(15-13-29)40-37(47)41-34(19-26-9-16-33(44)17-10-26)35(45)39-20-32-23-42-21-25(3)49-38(42)43(32)22-27-8-11-28-6-4-5-7-30(28)18-27/h4-18,21,23-24,34H,19-20,22H2,1-3H3,(H3-,39,40,41,44,45,46,47)/p+1/t34-/m0/s1
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n/an/an/a 0.794n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic acetylcholine M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


J Med Chem 51: 4866-9 (2008)


Article DOI: 10.1021/jm800634k
BindingDB Entry DOI: 10.7270/Q2MG7QQS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412729
PNG
(CHEMBL492437)
Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCNCC4)c3)ccc2F)CCN1
Show InChI InChI=1S/C31H38FN5O/c1-23-20-37(15-12-34-23)22-25-4-2-6-27(16-25)29-18-24(8-9-30(29)32)19-35-31(38)28-7-3-5-26(17-28)21-36-13-10-33-11-14-36/h2-9,16-18,23,33-34H,10-15,19-22H2,1H3,(H,35,38)/t23-/m0/s1
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n/an/an/a 1n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells assessed as acetylcholine-induced change in cytosolic calcium concentrati...


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 M1


(Homo sapiens (Human))
BDBM50412731
PNG
(CHEMBL493266)
Show SMILES CCC(=O)c1cccc(c1)C(=O)NCc1ccc(F)c(c1)-c1cccc(CN2CCN[C@@H](C)C2)c1
Show InChI InChI=1S/C29H32FN3O2/c1-3-28(34)24-8-5-9-25(16-24)29(35)32-17-21-10-11-27(30)26(15-21)23-7-4-6-22(14-23)19-33-13-12-31-20(2)18-33/h4-11,14-16,20,31H,3,12-13,17-19H2,1-2H3,(H,32,35)/t20-/m0/s1
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n/an/an/a 1n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells assessed as acetylcholine-induced change in cytosolic calcium concentrati...


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))
BDBM50381649
PNG
(CHEMBL2023751)
Show SMILES C[N+]1(CC=C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C26H31N2/c1-3-16-28(2)24-14-15-25(28)18-21(17-24)19-26(20-27,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h3-13,21,24-25H,1,14-19H2,2H3/q+1/t21-,24?,25?,28?
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n/an/an/a 1.26n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281909
PNG
((R)-2-[(E)-2-(9,10-Dihydro-anthracen-9-yl)-vinyl]-...)
Show SMILES CN1CCCC[C@@H]1\C=C\C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-14,19,22H,6-7,10,15-16H2,1H3/b14-13+/t19-/m1/s1
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n/an/an/a 1.5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281903
PNG
((S)-2-[(E)-2-(9,10-Dihydro-anthracen-9-yl)-vinyl]-...)
Show SMILES CN1CCCC[C@H]1\C=C\C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-14,19,22H,6-7,10,15-16H2,1H3/b14-13+/t19-/m0/s1
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n/an/an/a 1.80n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50413112
PNG
(CHEMBL540146)
Show SMILES Cc1noc(n1)-c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1
Show InChI InChI=1S/C32H36N6O5/c1-21-33-31(43-37-21)24-9-11-25(12-10-24)35-32(42)36-29(18-22-5-13-27(39)14-6-22)30(41)34-26-4-3-17-38(2,20-26)19-23-7-15-28(40)16-8-23/h5-16,26,29H,3-4,17-20H2,1-2H3,(H4-,33,34,35,36,37,39,40,41,42)/p+1/t26-,29-,38?/m0/s1
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n/an/an/a 2n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced intracellular ...


Bioorg Med Chem Lett 18: 5481-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50413111
PNG
(CHEMBL540401)
Show SMILES Cc1nc(no1)-c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1
Show InChI InChI=1S/C32H36N6O5/c1-21-33-30(37-43-21)24-9-11-25(12-10-24)35-32(42)36-29(18-22-5-13-27(39)14-6-22)31(41)34-26-4-3-17-38(2,20-26)19-23-7-15-28(40)16-8-23/h5-16,26,29H,3-4,17-20H2,1-2H3,(H4-,34,35,36,37,39,40,41,42)/p+1/t26-,29-,38?/m0/s1
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n/an/an/a 2n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced intracellular ...


Bioorg Med Chem Lett 18: 5481-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM
More data for this
Ligand-Target Pair
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