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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'cambareri' and Initial = 'a'   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50092516
PNG
(3-{[(Methoxycarbonyl-pyridin-2-yl-methyl)-methyl-a...)
Show SMILES COC(=O)C12CN(C)CC(C(N(C)C1c1ccccn1)c1ccccn1)(C(=O)OC)C2=O |TLB:12:11:30:6.5.8,20:10:30:6.5.8,14:13:30:6.5.8|
Show InChI InChI=1S/C23H26N4O5/c1-26-13-22(20(29)31-3)17(15-9-5-7-11-24-15)27(2)18(16-10-6-8-12-25-16)23(14-26,19(22)28)21(30)32-4/h5-12,17-18H,13-14H2,1-4H3
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15n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibition against [3H]-CI 977 rat Opioid receptor kappa 1


J Med Chem 43: 3746-51 (2000)


BindingDB Entry DOI: 10.7270/Q2H41QPP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50092518
PNG
(3-[{[Methoxycarbonyl-(4-methoxy-phenyl)-methyl]-me...)
Show SMILES COC(=O)C12CN(C)CC(C(N(C)C1c1ccc(OC)cc1)c1ccc(OC)cc1)(C(=O)OC)C2=O |TLB:12:11:34:6.5.8,22:10:34:6.5.8,14:13:34:6.5.8|
Show InChI InChI=1S/C27H32N2O7/c1-28-15-26(24(31)35-5)21(17-7-11-19(33-3)12-8-17)29(2)22(18-9-13-20(34-4)14-10-18)27(16-28,23(26)30)25(32)36-6/h7-14,21-22H,15-16H2,1-6H3
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18n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibition against [3H]-diprenorphine human Opioid receptor kappa 1 at 10 micromol/L


J Med Chem 43: 3746-51 (2000)


BindingDB Entry DOI: 10.7270/Q2H41QPP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50092515
PNG
(3-((3-Hydroxy-phenyl)-{[(3-hydroxy-phenyl)-methoxy...)
Show SMILES COC(=O)C12CN(C)CC(C(N(C)C1c1cccc(O)c1)c1cccc(O)c1)(C(=O)OC)C2=O |TLB:12:11:32:6.5.8,21:10:32:6.5.8,14:13:32:6.5.8|
Show InChI InChI=1S/C25H28N2O7/c1-26-13-24(22(31)33-3)19(15-7-5-9-17(28)11-15)27(2)20(16-8-6-10-18(29)12-16)25(14-26,21(24)30)23(32)34-4/h5-12,19-20,28-29H,13-14H2,1-4H3
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20n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibition against [3H]-CI 977 rat Opioid receptor kappa 1


J Med Chem 43: 3746-51 (2000)


BindingDB Entry DOI: 10.7270/Q2H41QPP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50092521
PNG
(3-((3-Fluoro-phenyl)-{[(3-fluoro-phenyl)-methoxyca...)
Show SMILES COC(=O)C12CN(C)CC(C(N(C)C1c1cccc(F)c1)c1cccc(F)c1)(C(=O)OC)C2=O |TLB:12:11:32:6.5.8,21:10:32:6.5.8,14:13:32:6.5.8|
Show InChI InChI=1S/C25H26F2N2O5/c1-28-13-24(22(31)33-3)19(15-7-5-9-17(26)11-15)29(2)20(16-8-6-10-18(27)12-16)25(14-28,21(24)30)23(32)34-4/h5-12,19-20H,13-14H2,1-4H3
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26n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibition against [3H]-diprenorphine human Opioid receptor kappa 1


J Med Chem 43: 3746-51 (2000)


BindingDB Entry DOI: 10.7270/Q2H41QPP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50092520
PNG
(3-((4-Fluoro-phenyl)-{[(4-fluoro-phenyl)-methoxyca...)
Show SMILES COC(=O)C12CN(C)CC(C(N(C)C1c1ccc(F)cc1)c1ccc(F)cc1)(C(=O)OC)C2=O |TLB:12:11:32:6.8.5,14:13:32:6.8.5,21:10:32:6.8.5|
Show InChI InChI=1S/C25H26F2N2O5/c1-28-13-24(22(31)33-3)19(15-5-9-17(26)10-6-15)29(2)20(16-7-11-18(27)12-8-16)25(14-28,21(24)30)23(32)34-4/h5-12,19-20H,13-14H2,1-4H3
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140n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibition against [3H]-diprenorphine human Opioid receptor kappa 1 at 10 micromol/L


J Med Chem 43: 3746-51 (2000)


BindingDB Entry DOI: 10.7270/Q2H41QPP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50092519
PNG
(3-{[(Methoxycarbonyl-quinolin-2-yl-methyl)-methyl-...)
Show SMILES COC(=O)C12CN(C)CC(C(N(C)C1c1ccc3ccccc3n1)c1ccc3ccccc3n1)(C(=O)OC)C2=O |TLB:12:11:38:6.8.5,14:13:38:6.8.5,24:10:38:6.8.5|
Show InChI InChI=1S/C31H30N4O5/c1-34-17-30(28(37)39-3)25(23-15-13-19-9-5-7-11-21(19)32-23)35(2)26(31(18-34,27(30)36)29(38)40-4)24-16-14-20-10-6-8-12-22(20)33-24/h5-16,25-26H,17-18H2,1-4H3
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190n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibition against [3H]-diprenorphine human Opioid receptor kappa 1


J Med Chem 43: 3746-51 (2000)


BindingDB Entry DOI: 10.7270/Q2H41QPP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50092517
PNG
(3-{[(Carboxy-phenyl-methyl)-methyl-amino]-phenyl-m...)
Show SMILES CN1CC2(C(N(C)C(c3ccccc3)C(C1)(C(O)=O)C2=O)c1ccccc1)C(O)=O |TLB:6:5:19:1.15.2,21:4:19:1.15.2,8:7:19:1.15.2|
Show InChI InChI=1S/C23H24N2O5/c1-24-13-22(20(27)28)17(15-9-5-3-6-10-15)25(2)18(16-11-7-4-8-12-16)23(14-24,19(22)26)21(29)30/h3-12,17-18H,13-14H2,1-2H3,(H,27,28)(H,29,30)
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210n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibition against [3H]-diprenorphine human Opioid receptor kappa 1 at 10 micromol/L


J Med Chem 43: 3746-51 (2000)


BindingDB Entry DOI: 10.7270/Q2H41QPP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50092514
PNG
(3-{[(Methoxycarbonyl-m-tolyl-methyl)-methyl-amino]...)
Show SMILES COC(=O)C12CN(C)CC(C(N(C)C1c1cccc(C)c1)c1cccc(C)c1)(C(=O)OC)C2=O |TLB:12:11:32:6.5.8,21:10:32:6.5.8,14:13:32:6.5.8|
Show InChI InChI=1S/C27H32N2O5/c1-17-9-7-11-19(13-17)21-26(24(31)33-5)15-28(3)16-27(23(26)30,25(32)34-6)22(29(21)4)20-12-8-10-18(2)14-20/h7-14,21-22H,15-16H2,1-6H3
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820n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibition against [3H]-CI 977 rat Opioid receptor kappa 1 at 10 micromol/L


J Med Chem 43: 3746-51 (2000)


BindingDB Entry DOI: 10.7270/Q2H41QPP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50092513
PNG
(3-((4-Chloro-phenyl)-{[(4-chloro-phenyl)-ethoxycar...)
Show SMILES CCOC(=O)C12CN(C)CC(C(N(C)C1c1ccc(Cl)cc1)c1ccc(Cl)cc1)(C(=O)OCC)C2=O |TLB:13:12:34:7.9.6,15:14:34:7.9.6,22:11:34:7.9.6|
Show InChI InChI=1S/C27H30Cl2N2O5/c1-5-35-24(33)26-15-30(3)16-27(23(26)32,25(34)36-6-2)22(18-9-13-20(29)14-10-18)31(4)21(26)17-7-11-19(28)12-8-17/h7-14,21-22H,5-6,15-16H2,1-4H3
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1.98E+3n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibition against [3H]-diprenorphine human Opioid receptor kappa 1


J Med Chem 43: 3746-51 (2000)


BindingDB Entry DOI: 10.7270/Q2H41QPP
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)
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)
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)
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)
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)
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)
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)
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)
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)
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