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Compile Data Set for Download or QSAR

Found 121 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' AND taxid = 9823   
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
Cholinergic, muscarinic


(GUINEA PIG)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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0.390n/an/an/an/an/an/an/an/a



Université Louis Pasteur-Strasbourg

Curated by PDSP Ki Database




J Pharmacol Exp Ther 250: 309-15 (1989)


BindingDB Entry DOI: 10.7270/Q2KP80NB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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0.680n/an/an/an/an/an/an/an/a



Université Louis Pasteur-Strasbourg

Curated by PDSP Ki Database




J Pharmacol Exp Ther 250: 309-15 (1989)


BindingDB Entry DOI: 10.7270/Q2KP80NB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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1.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Prog Neuropsychopharmacol Biol Psychiatry 27: 1125-43 (2003)


Article DOI: 10.1016/j.pnpbp.2003.09.008
BindingDB Entry DOI: 10.7270/Q2M61HTM
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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6.10n/an/an/an/an/an/an/an/a



Université Louis Pasteur-Strasbourg

Curated by PDSP Ki Database




J Pharmacol Exp Ther 250: 309-15 (1989)


BindingDB Entry DOI: 10.7270/Q2KP80NB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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10.8n/an/an/an/an/an/an/an/a



Université Louis Pasteur-Strasbourg

Curated by PDSP Ki Database




J Pharmacol Exp Ther 250: 309-15 (1989)


BindingDB Entry DOI: 10.7270/Q2KP80NB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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21.8n/an/an/an/an/an/an/an/a



Université Louis Pasteur-Strasbourg

Curated by PDSP Ki Database




J Pharmacol Exp Ther 250: 309-15 (1989)


BindingDB Entry DOI: 10.7270/Q2KP80NB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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28.8n/an/an/an/an/an/an/an/a



Université Louis Pasteur-Strasbourg

Curated by PDSP Ki Database




J Pharmacol Exp Ther 250: 309-15 (1989)


BindingDB Entry DOI: 10.7270/Q2KP80NB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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80.7n/an/an/an/an/an/an/an/a



Université Louis Pasteur-Strasbourg

Curated by PDSP Ki Database




J Pharmacol Exp Ther 250: 309-15 (1989)


BindingDB Entry DOI: 10.7270/Q2KP80NB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM82479
PNG
(CAS_132539-06-1 | NSC_4585 | OLANZAPINE)
Show SMILES CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Prog Neuropsychopharmacol Biol Psychiatry 27: 1125-43 (2003)


Article DOI: 10.1016/j.pnpbp.2003.09.008
BindingDB Entry DOI: 10.7270/Q2M61HTM
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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276n/an/an/an/an/an/an/an/a



Université Louis Pasteur-Strasbourg

Curated by PDSP Ki Database




J Pharmacol Exp Ther 250: 309-15 (1989)


BindingDB Entry DOI: 10.7270/Q2KP80NB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50421416
PNG
(CHEMBL2311018)
Show SMILES C(c1ccccc1)[N@@+]12CC[C@@]34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N([C@@H]3OCC=C6C[N@+]7(Cc8ccccc8)CC[C@@]89[C@@H]7C[C@@H]6[C@@H]3[C@@H]8N([C@@H]5OCC=C1C2)c1ccccc91)c1ccccc41
Show InChI InChI=1S/C52H54N4O2/c1-3-11-33(12-4-1)29-55-23-21-51-39-15-7-9-17-41(39)53-47(51)45-37(27-43(51)55)35(31-55)19-25-57-49(45)54-42-18-10-8-16-40(42)52-22-24-56(30-34-13-5-2-6-14-34)32-36-20-26-58-50(53)46(48(52)54)38(36)28-44(52)56/h1-20,37-38,43-50H,21-32H2/q+2/t37-,38-,43-,44-,45+,46+,47-,48-,49+,50+,51+,52+,55+,56+/m0/s1
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n/an/an/an/a 69n/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Allosteric inhibition of [3H]-NMS (N-methylscopolamine) dissociation from porcine cardiac Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2529-32 (2001)


Article DOI: 10.1016/s0960-894x(00)00509-6
BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074552
PNG
(Bis-[3-(1,3-dioxo-2,3-dihydro-1H-2-isoindolyl)prop...)
Show SMILES C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C29H38N4O4/c1-32(2,18-9-16-30-26(34)22-12-5-6-13-23(22)27(30)35)20-11-21-33(3,4)19-10-17-31-28(36)24-14-7-8-15-25(24)29(31)37/h5-8,12-15H,9-11,16-21H2,1-4H3/q+2
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n/an/an/an/a 3.80E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074553
PNG
(2-{4-[4-(2-{1-[4-(1,3-dioxo-2,3-dihydro-1H-2-isoin...)
Show SMILES O=C1N(CCC[n+]2ccc(CCc3cc[n+](CCCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C34H32N4O4/c39-31-27-7-1-2-8-28(27)32(40)37(31)19-5-17-35-21-13-25(14-22-35)11-12-26-15-23-36(24-16-26)18-6-20-38-33(41)29-9-3-4-10-30(29)34(38)42/h1-4,7-10,13-16,21-24H,5-6,11-12,17-20H2/q+2
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n/an/an/an/a 2.34E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074554
PNG
(2-[4-(4-{1-[4-(1,3-dioxo-2,3-dihydro-1H-2-isoindol...)
Show SMILES O=C1N(CCCC[n+]2ccc(CCc3cc[n+](CCCCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C36H36N4O4/c41-33-29-9-1-2-10-30(29)34(42)39(33)21-7-5-19-37-23-15-27(16-24-37)13-14-28-17-25-38(26-18-28)20-6-8-22-40-35(43)31-11-3-4-12-32(31)36(40)44/h1-4,9-12,15-18,23-26H,5-8,13-14,19-22H2/q+2
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n/an/an/an/a 470n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074555
PNG
(Bis-{3-(1,3-dioxo-2,3-dihydro-1H-2-isoindolyl)prop...)
Show SMILES C[N+](C)(CCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C31H42N4O4/c1-34(2,22-12-18-32-28(36)24-14-6-7-15-25(24)29(32)37)20-10-5-11-21-35(3,4)23-13-19-33-30(38)26-16-8-9-17-27(26)31(33)39/h6-9,14-17H,5,10-13,18-23H2,1-4H3/q+2
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n/an/an/an/a 1.39E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074556
PNG
(Bis-{4-[(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethox...)
Show SMILES O=C1N(CO\N=C\c2cc[n+](CCC[n+]3ccc(\C=N\OCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C33H28N6O6/c40-30-26-6-1-2-7-27(26)31(41)38(30)22-44-34-20-24-10-16-36(17-11-24)14-5-15-37-18-12-25(13-19-37)21-35-45-23-39-32(42)28-8-3-4-9-29(28)33(39)43/h1-4,6-13,16-21H,5,14-15,22-23H2/q+2/b34-20+,35-21+
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n/an/an/an/a 510n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074557
PNG
(Bis-{4-{[3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-p...)
Show SMILES O=C1N(CCCO\N=C\c2cc[n+](CCC[n+]3ccc(\C=N\OCCCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C37H36N6O6/c44-34-30-8-1-2-9-31(30)35(45)42(34)18-6-24-48-38-26-28-12-20-40(21-13-28)16-5-17-41-22-14-29(15-23-41)27-39-49-25-7-19-43-36(46)32-10-3-4-11-33(32)37(43)47/h1-4,8-15,20-23,26-27H,5-7,16-19,24-25H2/q+2/b38-26+,39-27+
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n/an/an/an/a 520n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074560
PNG
(Bis-{3-(1,3-dioxo-2,3-dihydro-1H-2-isoindolyl)prop...)
Show SMILES C[N+](C)(CCCCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C36H52N4O4/c1-39(2,27-17-23-37-33(41)29-19-11-12-20-30(29)34(37)42)25-15-9-7-5-6-8-10-16-26-40(3,4)28-18-24-38-35(43)31-21-13-14-22-32(31)36(38)44/h11-14,19-22H,5-10,15-18,23-28H2,1-4H3/q+2
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n/an/an/an/a 530n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074559
PNG
(Bis-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propy...)
Show SMILES C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C24H26N3O4/c1-27(2,15-7-13-25-21(28)17-9-3-4-10-18(17)22(25)29)16-8-14-26-23(30)19-11-5-6-12-20(19)24(26)31/h3-6,9-12H,7-8,13-16H2,1-2H3/q+1
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n/an/an/an/a 8.82E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074558
PNG
(Bis-{3-(1,3-dioxo-2,3-dihydro-1H-2-isoindolyl)prop...)
Show SMILES C[N+](C)(CCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C33H46N4O4/c1-36(2,24-14-20-34-30(38)26-16-8-9-17-27(26)31(34)39)22-12-6-5-7-13-23-37(3,4)25-15-21-35-32(40)28-18-10-11-19-29(28)33(35)41/h8-11,16-19H,5-7,12-15,20-25H2,1-4H3/q+2
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n/an/an/an/a 370n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074562
PNG
(Bis-{4-[(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethox...)
Show SMILES O=C1N(CO\N=C\c2cc[n+](CCCC[n+]3ccc(\C=N\OCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C34H30N6O6/c41-31-27-7-1-2-8-28(27)32(42)39(31)23-45-35-21-25-11-17-37(18-12-25)15-5-6-16-38-19-13-26(14-20-38)22-36-46-24-40-33(43)29-9-3-4-10-30(29)34(40)44/h1-4,7-14,17-22H,5-6,15-16,23-24H2/q+2/b35-21+,36-22+
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n/an/an/an/a 1.90E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074561
PNG
(Bis-{4-{[3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-p...)
Show SMILES O=C1N(C[n+]2ccc(CCCc3cc[n+](CN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C31H26N4O4/c36-28-24-8-1-2-9-25(24)29(37)34(28)20-32-16-12-22(13-17-32)6-5-7-23-14-18-33(19-15-23)21-35-30(38)26-10-3-4-11-27(26)31(35)39/h1-4,8-19H,5-7,20-21H2/q+2
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n/an/an/an/a 5.08E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074563
PNG
(Bis-{4-[(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethox...)
Show SMILES O=C1N(CO\N=C\c2cc[n+](CCCCCC[n+]3ccc(\C=N\OCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C36H34N6O6/c43-33-29-9-3-4-10-30(29)34(44)41(33)25-47-37-23-27-13-19-39(20-14-27)17-7-1-2-8-18-40-21-15-28(16-22-40)24-38-48-26-42-35(45)31-11-5-6-12-32(31)36(42)46/h3-6,9-16,19-24H,1-2,7-8,17-18,25-26H2/q+2/b37-23+,38-24+
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n/an/an/an/a 1.40E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074565
PNG
(2-{2-[4-(3-{1-[2-(1,3-dioxo-2,3-dihydro-1H-2-isoin...)
Show SMILES O=C1N(CCC[n+]2ccc(CCCc3cc[n+](CCCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C35H34N4O4/c40-32-28-10-1-2-11-29(28)33(41)38(32)20-6-18-36-22-14-26(15-23-36)8-5-9-27-16-24-37(25-17-27)19-7-21-39-34(42)30-12-3-4-13-31(30)35(39)43/h1-4,10-17,22-25H,5-9,18-21H2/q+2
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n/an/an/an/a 4.87E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074564
PNG
(Bis-{3-(1,3-dioxo-2,3-dihydro-1H-2-isoindolyl)prop...)
Show SMILES C[N+](C)(CCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C30H40N4O4/c1-33(2,21-11-17-31-27(35)23-13-5-6-14-24(23)28(31)36)19-9-10-20-34(3,4)22-12-18-32-29(37)25-15-7-8-16-26(25)30(32)38/h5-8,13-16H,9-12,17-22H2,1-4H3/q+2
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n/an/an/an/a 2.69E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074566
PNG
(2-{4-[4-(3-{1-[4-(1,3-dioxo-2,3-dihydro-1H-2-isoin...)
Show SMILES O=C1N(CCCC[n+]2ccc(cc2)-c2cc[n+](CCCCN3C(=O)c4ccccc4C3=O)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C34H32N4O4/c39-31-27-9-1-2-10-28(27)32(40)37(31)19-7-5-17-35-21-13-25(14-22-35)26-15-23-36(24-16-26)18-6-8-20-38-33(41)29-11-3-4-12-30(29)34(38)42/h1-4,9-16,21-24H,5-8,17-20H2/q+2
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n/an/an/an/a 4.65E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074568
PNG
(Bis-{4-{[3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-p...)
Show SMILES O=C1N(CCCO\N=C\c2cc[n+](CCCC[n+]3ccc(\C=N\OCCCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C38H38N6O6/c45-35-31-9-1-2-10-32(31)36(46)43(35)19-7-25-49-39-27-29-13-21-41(22-14-29)17-5-6-18-42-23-15-30(16-24-42)28-40-50-26-8-20-44-37(47)33-11-3-4-12-34(33)38(44)48/h1-4,9-16,21-24,27-28H,5-8,17-20,25-26H2/q+2/b39-27+,40-28+
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n/an/an/an/a 350n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074567
PNG
(Bis-{4-{[3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-p...)
Show SMILES O=C1N(CCCO\N=C\c2cc[n+](CCCCC[n+]3ccc(\C=N\OCCCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C39H40N6O6/c46-36-32-10-2-3-11-33(32)37(47)44(36)20-8-26-50-40-28-30-14-22-42(23-15-30)18-6-1-7-19-43-24-16-31(17-25-43)29-41-51-27-9-21-45-38(48)34-12-4-5-13-35(34)39(45)49/h2-5,10-17,22-25,28-29H,1,6-9,18-21,26-27H2/q+2/b40-28+,41-29+
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n/an/an/an/a 510n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074569
PNG
((6-{bis[3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-pr...)
Show SMILES C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C32H44N4O4/c1-35(2,23-13-19-33-29(37)25-15-7-8-16-26(25)30(33)38)21-11-5-6-12-22-36(3,4)24-14-20-34-31(39)27-17-9-10-18-28(27)32(34)40/h7-10,15-18H,5-6,11-14,19-24H2,1-4H3/q+2
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n/an/an/an/a 1.44E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074570
PNG
(2-(4-{3-[1-(1,3-dioxo-2,3-dihydro-1H-2-isoindolylm...)
Show SMILES O=C1N(CC[n+]2ccc(CCCc3cc[n+](CCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C33H30N4O4/c38-30-26-8-1-2-9-27(26)31(39)36(30)22-20-34-16-12-24(13-17-34)6-5-7-25-14-18-35(19-15-25)21-23-37-32(40)28-10-3-4-11-29(28)33(37)41/h1-4,8-19H,5-7,20-23H2/q+2
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n/an/an/an/a 3.49E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074571
PNG
(Bis-{4-{[3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-p...)
Show SMILES O=C1N(CCCO\N=C\c2cc[n+](CCCCCC[n+]3ccc(\C=N\OCCCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C40H42N6O6/c47-37-33-11-3-4-12-34(33)38(48)45(37)21-9-27-51-41-29-31-15-23-43(24-16-31)19-7-1-2-8-20-44-25-17-32(18-26-44)30-42-52-28-10-22-46-39(49)35-13-5-6-14-36(35)40(46)50/h3-6,11-18,23-26,29-30H,1-2,7-10,19-22,27-28H2/q+2/b41-29+,42-30+
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n/an/an/an/a 450n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074573
PNG
(Bis-{3-(1,3-dioxo-2,3-dihydro-1H-2-isoindolyl)prop...)
Show SMILES C[N+](C)(CCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C34H48N4O4/c1-37(2,25-15-21-35-31(39)27-17-9-10-18-28(27)32(35)40)23-13-7-5-6-8-14-24-38(3,4)26-16-22-36-33(41)29-19-11-12-20-30(29)34(36)42/h9-12,17-20H,5-8,13-16,21-26H2,1-4H3/q+2
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n/an/an/an/a 570n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074572
PNG
(2-{3-[4-(3-{1-[3-(1,3-dioxo-2,3-dihydro-1H-2-isoin...)
Show SMILES O=C1N(CCCC[n+]2ccc(CCCc3cc[n+](CCCCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C37H38N4O4/c42-34-30-12-1-2-13-31(30)35(43)40(34)22-7-5-20-38-24-16-28(17-25-38)10-9-11-29-18-26-39(27-19-29)21-6-8-23-41-36(44)32-14-3-4-15-33(32)37(41)45/h1-4,12-19,24-27H,5-11,20-23H2/q+2
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n/an/an/an/a 630n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50093888
PNG
(CHEMBL405691 | Caracurine V derivative)
Show SMILES [O-][N+](=O)c1ccc(C[N+]23CCC45[C@@H]2C[C@@H]2[C@@H]6[C@@H]4N([C@@H]4OCC=C7C[N+]8(Cc9ccc(cc9)[N+]([O-])=O)CCC9%10[C@@H]8C[C@@H]7[C@@H]4[C@@H]9N([C@@H]6OCC=C2C3)c2ccccc%102)c2ccccc52)cc1
Show InChI InChI=1S/C52H52N6O6/c59-55(60)35-13-9-31(10-14-35)27-57-21-19-51-39-5-1-3-7-41(39)53-47(51)45-37(25-43(51)57)33(29-57)18-24-64-50(45)54-42-8-4-2-6-40(42)52-20-22-58(28-32-11-15-36(16-12-32)56(61)62)30-34-17-23-63-49(53)46(48(52)54)38(34)26-44(52)58/h1-18,37-38,43-50H,19-30H2/q+2/t37-,38-,43-,44-,45+,46+,47-,48-,49+,50+,51?,52?,57?,58?/m0/s1
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n/an/an/an/a 315n/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Allosteric inhibition of [3H]-NMS (N-methylscopolamine) dissociation from porcine cardiac Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2529-32 (2001)


Article DOI: 10.1016/s0960-894x(00)00509-6
BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50093889
PNG
(CHEMBL407071 | Caracurine V derivative)
Show SMILES Brc1ccc(C[N+]23CCC45[C@@H]2C[C@@H]2[C@@H]6[C@@H]4N([C@@H]4OCC=C7C[N+]8(Cc9ccc(Br)cc9)CCC9%10[C@@H]8C[C@@H]7[C@@H]4[C@@H]9N([C@@H]6OCC=C2C3)c2ccccc%102)c2ccccc52)cc1
Show InChI InChI=1S/C52H52Br2N4O2/c53-35-13-9-31(10-14-35)27-57-21-19-51-39-5-1-3-7-41(39)55-47(51)45-37(25-43(51)57)33(29-57)18-24-60-50(45)56-42-8-4-2-6-40(42)52-20-22-58(28-32-11-15-36(54)16-12-32)30-34-17-23-59-49(55)46(48(52)56)38(34)26-44(52)58/h1-18,37-38,43-50H,19-30H2/q+2/t37-,38-,43-,44-,45+,46+,47-,48-,49+,50+,51?,52?,57?,58?/m0/s1
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n/an/an/an/a 507n/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Allosteric inhibition of [3H]-NMS (N-methylscopolamine) dissociation from porcine cardiac Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2529-32 (2001)


Article DOI: 10.1016/s0960-894x(00)00509-6
BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50093890
PNG
(CHEMBL412670 | Caracurine V derivative)
Show SMILES FC(F)(F)c1ccc(C[N+]23CCC45[C@@H]2C[C@@H]2[C@@H]6[C@@H]4N([C@@H]4OCC=C7C[N+]8(Cc9ccc(cc9)C(F)(F)F)CCC9%10[C@@H]8C[C@@H]7[C@@H]4[C@@H]9N([C@@H]6OCC=C2C3)c2ccccc%102)c2ccccc52)cc1
Show InChI InChI=1S/C54H52F6N4O2/c55-53(56,57)35-13-9-31(10-14-35)27-63-21-19-51-39-5-1-3-7-41(39)61-47(51)45-37(25-43(51)63)33(29-63)18-24-66-50(45)62-42-8-4-2-6-40(42)52-20-22-64(28-32-11-15-36(16-12-32)54(58,59)60)30-34-17-23-65-49(61)46(48(52)62)38(34)26-44(52)64/h1-18,37-38,43-50H,19-30H2/q+2/t37-,38-,43-,44-,45+,46+,47-,48-,49+,50+,51?,52?,63?,64?/m0/s1
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n/an/an/an/a 1.75E+3n/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Allosteric inhibition of [3H]-NMS (N-methylscopolamine) dissociation from porcine cardiac Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2529-32 (2001)


Article DOI: 10.1016/s0960-894x(00)00509-6
BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50093891
PNG
(CHEMBL315340 | Caracurine V derivative)
Show SMILES C[N+]12CCC34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N([C@@H]3OCC=C6C[N+]7(C)CCC89[C@@H]7C[C@@H]6[C@@H]3[C@@H]8N([C@@H]5OCC=C1C2)c1ccccc91)c1ccccc41
Show InChI InChI=1S/C40H46N4O2/c1-43-15-13-39-27-7-3-5-9-29(27)41-35(39)33-25(19-31(39)43)23(21-43)11-17-45-37(33)42-30-10-6-4-8-28(30)40-14-16-44(2)22-24-12-18-46-38(41)34(36(40)42)26(24)20-32(40)44/h3-12,25-26,31-38H,13-22H2,1-2H3/q+2/t25-,26-,31-,32-,33+,34+,35-,36-,37+,38+,39?,40?,43?,44?/m0/s1
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n/an/an/an/a 8n/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Allosteric inhibition of [3H]-NMS (N-methylscopolamine) dissociation from porcine cardiac Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2529-32 (2001)


Article DOI: 10.1016/s0960-894x(00)00509-6
BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50093892
PNG
(CHEMBL312920 | Caracurine V derivative)
Show SMILES C1CC23[C@@H]4C[C@@H]5[C@@H]6[C@@H]2N([C@@H]2OCC=C7CN8CCC9%10[C@@H]8C[C@@H]7[C@@H]2[C@@H]9N([C@@H]6OCC=C5CN14)c1ccccc%101)c1ccccc31
Show InChI InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37?,38?/m0/s1
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n/an/an/an/a 1.19E+3n/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Allosteric inhibition of [3H]-NMS (N-methylscopolamine) dissociation from porcine cardiac Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2529-32 (2001)


Article DOI: 10.1016/s0960-894x(00)00509-6
BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50093893
PNG
(CHEMBL433343 | Caracurine V derivative)
Show SMILES C#CC[N+]12CCC34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N([C@@H]3OCC=C6C[N+]7(CC#C)CCC89[C@@H]7C[C@@H]6[C@@H]3[C@@H]8N([C@@H]5OCC=C1C2)c1ccccc91)c1ccccc41
Show InChI InChI=1S/C44H46N4O2/c1-3-17-47-19-15-43-31-9-5-7-11-33(31)45-39(43)37-29(23-35(43)47)27(25-47)13-21-49-41(37)46-34-12-8-6-10-32(34)44-16-20-48(18-4-2)26-28-14-22-50-42(45)38(40(44)46)30(28)24-36(44)48/h1-2,5-14,29-30,35-42H,15-26H2/q+2/t29-,30-,35-,36-,37+,38+,39-,40-,41+,42+,43?,44?,47?,48?/m0/s1
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n/an/an/an/a 4n/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Allosteric inhibition of [3H]-NMS (N-methylscopolamine) dissociation from porcine cardiac Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2529-32 (2001)


Article DOI: 10.1016/s0960-894x(00)00509-6
BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50093894
PNG
(CHEMBL385915 | Caracurine V derivative)
Show SMILES O=C1N(CCC[N+]23CCC45[C@@H]2C[C@@H]2[C@@H]6[C@@H]4N([C@@H]4OCC=C7C[N+]8(CCCN9C(=O)c%10ccccc%10C9=O)CCC9%10[C@@H]8C[C@@H]7[C@@H]4[C@@H]9N([C@@H]6OCC=C2C3)c2ccccc%102)c2ccccc52)C(=O)c2ccccc12
Show InChI InChI=1S/C60H60N6O6/c67-53-37-11-1-2-12-38(37)54(68)61(53)23-9-25-65-27-21-59-43-15-5-7-17-45(43)63-51(59)49-41(31-47(59)65)35(33-65)19-29-71-57(49)64-46-18-8-6-16-44(46)60-22-28-66(26-10-24-62-55(69)39-13-3-4-14-40(39)56(62)70)34-36-20-30-72-58(63)50(52(60)64)42(36)32-48(60)66/h1-8,11-20,41-42,47-52,57-58H,9-10,21-34H2/q+2/t41-,42-,47-,48-,49+,50+,51-,52-,57+,58+,59?,60?,65?,66?/m0/s1
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n/an/an/an/a 376n/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Allosteric inhibition of [3H]-NMS (N-methylscopolamine) dissociation from porcine cardiac Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2529-32 (2001)


Article DOI: 10.1016/s0960-894x(00)00509-6
BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50093895
PNG
(CHEMBL407440 | Caracurine V derivative)
Show SMILES C(c1ccc2ccccc2c1)[N+]12CCC34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N([C@@H]3OCC=C6C[N+]7(Cc8ccc9ccccc9c8)CCC89[C@@H]7C[C@@H]6[C@@H]3[C@@H]8N([C@@H]5OCC=C1C2)c1ccccc91)c1ccccc41
Show InChI InChI=1S/C60H58N4O2/c1-3-11-41-29-37(17-19-39(41)9-1)33-63-25-23-59-47-13-5-7-15-49(47)61-55(59)53-45(31-51(59)63)43(35-63)21-27-65-57(53)62-50-16-8-6-14-48(50)60-24-26-64(34-38-18-20-40-10-2-4-12-42(40)30-38)36-44-22-28-66-58(61)54(56(60)62)46(44)32-52(60)64/h1-22,29-30,45-46,51-58H,23-28,31-36H2/q+2/t45-,46-,51-,52-,53+,54+,55-,56-,57+,58+,59?,60?,63?,64?/m0/s1
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n/an/an/an/a 1.56E+3n/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Allosteric inhibition of [3H]-NMS (N-methylscopolamine) dissociation from porcine cardiac Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2529-32 (2001)


Article DOI: 10.1016/s0960-894x(00)00509-6
BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50093898
PNG
(CHEMBL412718 | Caracurine V derivative)
Show SMILES COc1ccc(C[N+]23CCC45[C@@H]2C[C@@H]2[C@@H]6[C@@H]4N([C@@H]4OCC=C7C[N+]8(Cc9ccc(OC)c(OC)c9)CCC9%10[C@@H]8C[C@@H]7[C@@H]4[C@@H]9N([C@@H]6OCC=C2C3)c2ccccc%102)c2ccccc52)cc1OC
Show InChI InChI=1S/C56H62N4O6/c1-61-43-15-13-33(25-45(43)63-3)29-59-21-19-55-39-9-5-7-11-41(39)57-51(55)49-37(27-47(55)59)35(31-59)17-23-65-53(49)58-42-12-8-6-10-40(42)56-20-22-60(30-34-14-16-44(62-2)46(26-34)64-4)32-36-18-24-66-54(57)50(52(56)58)38(36)28-48(56)60/h5-18,25-26,37-38,47-54H,19-24,27-32H2,1-4H3/q+2/t37-,38-,47-,48-,49+,50+,51-,52-,53+,54+,55?,56?,59?,60?/m0/s1
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n/an/an/an/a 342n/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Allosteric inhibition of [3H]-NMS (N-methylscopolamine) dissociation from porcine cardiac Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2529-32 (2001)


Article DOI: 10.1016/s0960-894x(00)00509-6
BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50093896
PNG
(CHEMBL311649 | Caracurine V derivative)
Show SMILES C=CC[N+]12CCC34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N([C@@H]3OCC=C6C[N+]7(CC=C)CCC89[C@@H]7C[C@@H]6[C@@H]3[C@@H]8N([C@@H]5OCC=C1C2)c1ccccc91)c1ccccc41
Show InChI InChI=1S/C44H50N4O2/c1-3-17-47-19-15-43-31-9-5-7-11-33(31)45-39(43)37-29(23-35(43)47)27(25-47)13-21-49-41(37)46-34-12-8-6-10-32(34)44-16-20-48(18-4-2)26-28-14-22-50-42(45)38(40(44)46)30(28)24-36(44)48/h3-14,29-30,35-42H,1-2,15-26H2/q+2/t29-,30-,35-,36-,37+,38+,39-,40-,41+,42+,43?,44?,47?,48?/m0/s1
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n/an/an/an/a 3n/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Allosteric inhibition of [3H]-NMS (N-methylscopolamine) dissociation from porcine cardiac Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2529-32 (2001)


Article DOI: 10.1016/s0960-894x(00)00509-6
BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50093899
PNG
(CHEMBL314491 | Caracurine V derivative)
Show SMILES CCC[N+]12CCC34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N([C@@H]3OCC=C6C[N+]7(CCC)CCC89[C@@H]7C[C@@H]6[C@@H]3[C@@H]8N([C@@H]5OCC=C1C2)c1ccccc91)c1ccccc41
Show InChI InChI=1S/C44H54N4O2/c1-3-17-47-19-15-43-31-9-5-7-11-33(31)45-39(43)37-29(23-35(43)47)27(25-47)13-21-49-41(37)46-34-12-8-6-10-32(34)44-16-20-48(18-4-2)26-28-14-22-50-42(45)38(40(44)46)30(28)24-36(44)48/h5-14,29-30,35-42H,3-4,15-26H2,1-2H3/q+2/t29-,30-,35-,36-,37+,38+,39-,40-,41+,42+,43?,44?,47?,48?/m0/s1
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n/an/an/an/a 30n/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Allosteric inhibition of [3H]-NMS (N-methylscopolamine) dissociation from porcine cardiac Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2529-32 (2001)


Article DOI: 10.1016/s0960-894x(00)00509-6
BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50025027
PNG
(CHEMBL3337867)
Show SMILES [Br-].[Br-].CC[C@@H]1C[N+]2(CC=C)CC[C@@]34[C@@H]2C[C@@H]1\C1=C\N2[C@H]5\C(=C/N([C@H]31)c1ccccc41)[C@H]1C[C@H]3[C@@]5(CC[N+]3(CC=C)C[C@H]1CC)c1ccccc21
Show InChI InChI=1S/C44H54N4.2BrH/c1-5-19-47-21-17-43-35-13-9-11-15-37(35)45-26-34-32-24-40-44(18-22-48(40,20-6-2)28-30(32)8-4)36-14-10-12-16-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(7-3)27-47;;/h5-6,9-16,25-26,29-32,39-42H,1-2,7-8,17-24,27-28H2,3-4H3;2*1H/q+2;;/p-2/b33-25-,34-26-;;/t29-,30-,31+,32+,39+,40+,41+,42+,43-,44-,47?,48?;;/m1../s1
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n/an/an/an/a 36n/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting


J Nat Prod 77: 2006-13 (2014)


Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50025028
PNG
(CHEMBL3337866)
Show SMILES [I-].[I-].CC[C@@H]1C[N+]2(C)CC[C@@]34[C@@H]2C[C@@H]1\C1=C\N2[C@H]5\C(=C/N([C@H]31)c1ccccc41)[C@H]1C[C@H]3[C@@]5(CC[N+]3(C)C[C@H]1CC)c1ccccc21
Show InChI InChI=1S/C40H50N4.2HI/c1-5-25-23-43(3)17-15-39-31-11-7-10-14-34(31)42-22-30-28-20-36-40(16-18-44(36,4)24-26(28)6-2)32-12-8-9-13-33(32)41(38(30)40)21-29(37(39)42)27(25)19-35(39)43;;/h7-14,21-22,25-28,35-38H,5-6,15-20,23-24H2,1-4H3;2*1H/q+2;;/p-2/b29-21-,30-22-;;/t25-,26-,27+,28+,35+,36+,37+,38+,39-,40-,43?,44?;;/m1../s1
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n/an/an/an/a 260n/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting


J Nat Prod 77: 2006-13 (2014)


Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50025029
PNG
(CHEMBL3337865)
Show SMILES CC[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1\C1=C\N2[C@H]5\C(=C/N([C@H]31)c1ccccc41)[C@H]1C[C@@H]3N(CC[C@]53c3ccccc23)C[C@H]1CC
Show InChI InChI=1S/C38H44N4/c1-3-23-19-39-15-13-37-29-9-5-8-12-32(29)42-22-28-26-18-34-38(14-16-40(34)20-24(26)4-2)30-10-6-7-11-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h5-12,21-26,33-36H,3-4,13-20H2,1-2H3/b27-21-,28-22-/t23-,24-,25+,26+,33+,34+,35+,36+,37-,38-/m1/s1
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n/an/an/an/a 500n/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting


J Nat Prod 77: 2006-13 (2014)


Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50025030
PNG
(CHEMBL3355097)
Show SMILES [Br-].[Br-].CC[C@@H]1C[N+]2(Cc3ccc(cc3)[N+]([O-])=O)CC[C@@]34[C@@H]2C[C@@H]1\C1=C\N2[C@H]5\C(=C/N([C@H]31)c1ccccc41)[C@H]1C[C@H]3[C@@]5(CC[N+]3(Cc3ccc(cc3)[N+]([O-])=O)C[C@H]1CCO)c1ccccc21
Show InChI InChI=1S/C52H56N6O5.2BrH/c1-2-35-31-57(29-33-11-15-37(16-12-33)55(60)61)22-20-51-43-7-3-6-10-46(43)54-28-42-40-26-48-52(21-23-58(48,32-36(40)19-24-59)30-34-13-17-38(18-14-34)56(62)63)44-8-4-5-9-45(44)53(50(42)52)27-41(49(51)54)39(35)25-47(51)57;;/h3-18,27-28,35-36,39-40,47-50,59H,2,19-26,29-32H2,1H3;2*1H/q+2;;/p-2/b41-27-,42-28-;;/t35-,36-,39+,40+,47+,48+,49+,50+,51-,52-,57?,58?;;/m1../s1
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n/an/an/an/a 32n/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting


J Nat Prod 77: 2006-13 (2014)


Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50025031
PNG
(CHEMBL3337863)
Show SMILES [Br-].[Br-].CC[C@@H]1C[N+]2(CC=C)CC[C@@]34[C@@H]2C[C@@H]1\C1=C\N2[C@H]5\C(=C/N([C@H]31)c1ccccc41)[C@H]1C[C@H]3[C@@]5(CC[N+]3(CC=C)C[C@H]1CCO)c1ccccc21
Show InChI InChI=1S/C44H54N4O.2BrH/c1-4-18-47-20-16-43-35-11-7-10-14-38(35)46-26-34-32-24-40-44(17-21-48(40,19-5-2)28-30(32)15-22-49)36-12-8-9-13-37(36)45(42(34)44)25-33(41(43)46)31(23-39(43)47)29(6-3)27-47;;/h4-5,7-14,25-26,29-32,39-42,49H,1-2,6,15-24,27-28H2,3H3;2*1H/q+2;;/p-2/b33-25-,34-26-;;/t29-,30-,31+,32+,39+,40+,41+,42+,43-,44-,47?,48?;;/m1../s1
PDB

UniProtKB/SwissProt

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n/an/an/an/a 12n/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting


J Nat Prod 77: 2006-13 (2014)


Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50025032
PNG
(CHEMBL3337862)
Show SMILES [I-].[I-].CC[C@@H]1C[N+]2(C)CC[C@@]34[C@@H]2C[C@@H]1\C1=C\N2[C@H]5\C(=C/N([C@H]31)c1ccccc41)[C@H]1C[C@H]3[C@@]5(CC[N+]3(C)C[C@H]1CCO)c1ccccc21
Show InChI InChI=1S/C40H50N4O.2HI/c1-4-25-23-43(2)16-14-39-31-9-5-8-12-34(31)42-22-30-28-20-36-40(15-17-44(36,3)24-26(28)13-18-45)32-10-6-7-11-33(32)41(38(30)40)21-29(37(39)42)27(25)19-35(39)43;;/h5-12,21-22,25-28,35-38,45H,4,13-20,23-24H2,1-3H3;2*1H/q+2;;/p-2/b29-21-,30-22-;;/t25-,26-,27+,28+,35+,36+,37+,38+,39-,40-,43?,44?;;/m1../s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 320n/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting


J Nat Prod 77: 2006-13 (2014)


Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8
More data for this
Ligand-Target Pair
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