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PubMed code 11086722

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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 M2


(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 |c:52,t:23|
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)


BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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 |c:51,t:21|
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)


BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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 |c:58,t:21|
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)


BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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 |c:55,t:22|
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)


BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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 |c:34,t:13|
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)


BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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 |c:42,t:18|
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)


BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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 |c:62,t:28|
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)


BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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 |c:57,t:24|
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)


BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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 |c:42,t:18|
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)


BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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 |c:38,t:16|
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)


BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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 |c:42,t:18|
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)


BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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 |c:55,t:23|
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)


BindingDB Entry DOI: 10.7270/Q2G1602G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%