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Compile Data Set for Download or QSAR

Found 257 hits with Last Name = 'bigogno' and Initial = 'c'   
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 M3


(Homo sapiens (Human))
BDBM50207996
PNG
(3-(1-benzyl-azepin-4-yl)-5,5-diphenyl-imidazolidin...)
Show SMILES O=C1NC(CN1C1CCCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O/c32-27-29-28(24-13-6-2-7-14-24,25-15-8-3-9-16-25)22-31(27)26-17-10-19-30(20-18-26)21-23-11-4-1-5-12-23/h1-9,11-16,26H,10,17-22H2,(H,29,32)
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0.960n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208018
PNG
(3-(1-(3-methylbenzyl)-piperidin-4-yl)-5,5-di-(2-th...)
Show SMILES Cc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2cccs2)c2cccs2)c1
Show InChI InChI=1S/C24H27N3OS2/c1-18-5-2-6-19(15-18)16-26-11-9-20(10-12-26)27-17-24(25-23(27)28,21-7-3-13-29-21)22-8-4-14-30-22/h2-8,13-15,20H,9-12,16-17H2,1H3,(H,25,28)
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1.72n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208015
PNG
(3-(1-benzylpiperidin-4-yl)-5,5-diphenyl-imidazolid...)
Show SMILES O=C1NC(CN1C1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H29N3O/c31-26-28-27(23-12-6-2-7-13-23,24-14-8-3-9-15-24)21-30(26)25-16-18-29(19-17-25)20-22-10-4-1-5-11-22/h1-15,25H,16-21H2,(H,28,31)
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1.90n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50207996
PNG
(3-(1-benzyl-azepin-4-yl)-5,5-diphenyl-imidazolidin...)
Show SMILES O=C1NC(CN1C1CCCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O/c32-27-29-28(24-13-6-2-7-14-24,25-15-8-3-9-16-25)22-31(27)26-17-10-19-30(20-18-26)21-23-11-4-1-5-12-23/h1-9,11-16,26H,10,17-22H2,(H,29,32)
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2n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21279
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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2.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208003
PNG
(3-(1-(3-methylbenzyl)-piperidin-4-yl)-5,5-diphenyl...)
Show SMILES Cc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H31N3O/c1-22-9-8-10-23(19-22)20-30-17-15-26(16-18-30)31-21-28(29-27(31)32,24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-14,19,26H,15-18,20-21H2,1H3,(H,29,32)
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2.37n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208002
PNG
(3-(1-benzyl-piperidin-4-yl)-5-phenyl-5-cyclohexyl-...)
Show SMILES O=C1NC(CN1C1CCN(Cc2ccccc2)CC1)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C27H35N3O/c31-26-28-27(23-12-6-2-7-13-23,24-14-8-3-9-15-24)21-30(26)25-16-18-29(19-17-25)20-22-10-4-1-5-11-22/h1-2,4-7,10-13,24-25H,3,8-9,14-21H2,(H,28,31)
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2.57n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208024
PNG
(3-(1-benzyl-piperidin-4-yl)-5,5-di-(2-thienyl)-imi...)
Show SMILES O=C1NC(CN1C1CCN(Cc2ccccc2)CC1)(c1cccs1)c1cccs1
Show InChI InChI=1S/C23H25N3OS2/c27-22-24-23(20-8-4-14-28-20,21-9-5-15-29-21)17-26(22)19-10-12-25(13-11-19)16-18-6-2-1-3-7-18/h1-9,14-15,19H,10-13,16-17H2,(H,24,27)
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2.70n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50207990
PNG
(3-(1-(3-fluorobenzyl)-piperidin-4-yl)-5,5-di-(2-th...)
Show SMILES Fc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2cccs2)c2cccs2)c1
Show InChI InChI=1S/C23H24FN3OS2/c24-18-5-1-4-17(14-18)15-26-10-8-19(9-11-26)27-16-23(25-22(27)28,20-6-2-12-29-20)21-7-3-13-30-21/h1-7,12-14,19H,8-11,15-16H2,(H,25,28)
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2.75n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208001
PNG
(3-(1-benzyl-piperidin-4-yl)-5,5-di-(4-fluorophenyl...)
Show SMILES Fc1ccc(cc1)C1(CN(C2CCN(Cc3ccccc3)CC2)C(=O)N1)c1ccc(F)cc1
Show InChI InChI=1S/C27H27F2N3O/c28-23-10-6-21(7-11-23)27(22-8-12-24(29)13-9-22)19-32(26(33)30-27)25-14-16-31(17-15-25)18-20-4-2-1-3-5-20/h1-13,25H,14-19H2,(H,30,33)
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2.80n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50207987
PNG
(3-(1-(3-chlorobenzyl)-piperidin-4-yl)-5,5-diphenyl...)
Show SMILES Clc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C27H28ClN3O/c28-24-13-7-8-21(18-24)19-30-16-14-25(15-17-30)31-20-27(29-26(31)32,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,18,25H,14-17,19-20H2,(H,29,32)
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3.15n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208014
PNG
(3-(1-benzyl-tropin-4-yl)-5,5-diphenyl-imidazolidin...)
Show SMILES O=C1NC(CN1C1CC2CCC(C1)N2Cc1ccccc1)(c1ccccc1)c1ccccc1 |TLB:5:6:13:9.10|
Show InChI InChI=1S/C29H31N3O/c33-28-30-29(23-12-6-2-7-13-23,24-14-8-3-9-15-24)21-32(28)27-18-25-16-17-26(19-27)31(25)20-22-10-4-1-5-11-22/h1-15,25-27H,16-21H2,(H,30,33)
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4.10n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208004
PNG
(3-(1-(3-fluorobenzyl)-piperidin-4-yl)-5,5-diphenyl...)
Show SMILES Fc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C27H28FN3O/c28-24-13-7-8-21(18-24)19-30-16-14-25(15-17-30)31-20-27(29-26(31)32,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,18,25H,14-17,19-20H2,(H,29,32)
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4.32n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50207998
PNG
(3-(1-(3-methylbenzyl)-piperidin-4-yl)-5-phenyl-5-c...)
Show SMILES Cc1cccc(CN2CCC(CC2)N2CC(NC2=O)(C2CCCCC2)c2ccccc2)c1
Show InChI InChI=1S/C28H37N3O/c1-22-9-8-10-23(19-22)20-30-17-15-26(16-18-30)31-21-28(29-27(31)32,24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2,4-5,8-12,19,25-26H,3,6-7,13-18,20-21H2,1H3,(H,29,32)
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4.54n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208006
PNG
(3-(1-(3-fluorobenzyl)-piperidin-4-yl)-5,5-di-(4-fl...)
Show SMILES Fc1ccc(cc1)C1(CN(C2CCN(Cc3cccc(F)c3)CC2)C(=O)N1)c1ccc(F)cc1
Show InChI InChI=1S/C27H26F3N3O/c28-22-8-4-20(5-9-22)27(21-6-10-23(29)11-7-21)18-33(26(34)31-27)25-12-14-32(15-13-25)17-19-2-1-3-24(30)16-19/h1-11,16,25H,12-15,17-18H2,(H,31,34)
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4.83n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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5.40n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332887
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-N-tert-pentyl-5-(1...)
Show SMILES CCC(C)(C)NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H22Cl2N4O/c1-5-20(3,4)23-18(27)17-13(2)19(25-10-6-7-11-25)26(24-17)16-9-8-14(21)12-15(16)22/h6-12H,5H2,1-4H3,(H,23,27)
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5.70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50207999
PNG
(3-(1-(3-chlorobenzyl)-piperidin-4-yl)-5-phenyl-5-c...)
Show SMILES Clc1cccc(CN2CCC(CC2)N2CC(NC2=O)(C2CCCCC2)c2ccccc2)c1
Show InChI InChI=1S/C27H34ClN3O/c28-24-13-7-8-21(18-24)19-30-16-14-25(15-17-30)31-20-27(29-26(31)32,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1,3-4,7-10,13,18,23,25H,2,5-6,11-12,14-17,19-20H2,(H,29,32)
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6.59n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208007
PNG
(3-(1-(3-chlorobenzyl)-piperidin-4-yl)-5,5-di-(4-fl...)
Show SMILES Fc1ccc(cc1)C1(CN(C2CCN(Cc3cccc(Cl)c3)CC2)C(=O)N1)c1ccc(F)cc1
Show InChI InChI=1S/C27H26ClF2N3O/c28-22-3-1-2-19(16-22)17-32-14-12-25(13-15-32)33-18-27(31-26(33)34,20-4-8-23(29)9-5-20)21-6-10-24(30)11-7-21/h1-11,16,25H,12-15,17-18H2,(H,31,34)
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6.70n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208008
PNG
(3-(1-(3-hydroxybenzyl)-piperidin-4-yl)-5,5-dipheny...)
Show SMILES Oc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C27H29N3O2/c31-25-13-7-8-21(18-25)19-29-16-14-24(15-17-29)30-20-27(28-26(30)32,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,18,24,31H,14-17,19-20H2,(H,28,32)
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7.60n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50207988
PNG
(3-(1-(3-aminobenzyl)-piperidin-4-yl)-5,5-diphenyl-...)
Show SMILES Nc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C27H30N4O/c28-24-13-7-8-21(18-24)19-30-16-14-25(15-17-30)31-20-27(29-26(31)32,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,18,25H,14-17,19-20,28H2,(H,29,32)
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7.90n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50207997
PNG
(3-(1-(3-methoxybenzyl)-piperidin-4-yl)-5,5-dipheny...)
Show SMILES COc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H31N3O2/c1-33-26-14-8-9-22(19-26)20-30-17-15-25(16-18-30)31-21-28(29-27(31)32,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-14,19,25H,15-18,20-21H2,1H3,(H,29,32)
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8.80n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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12n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208020
PNG
((R)-3-(1-benzyl-pyrrolidin-3-yl)-5,5-diphenyl-imid...)
Show SMILES O=C1NC(CN1[C@@H]1CCN(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H27N3O/c30-25-27-26(22-12-6-2-7-13-22,23-14-8-3-9-15-23)20-29(25)24-16-17-28(19-24)18-21-10-4-1-5-11-21/h1-15,24H,16-20H2,(H,27,30)/t24-/m1/s1
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13.3n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208019
PNG
(3-(1-(2-thienylmethyl)-piperidin-4-yl)-5,5-dipheny...)
Show SMILES O=C1NC(CN1C1CCN(Cc2cccs2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27N3OS/c29-24-26-25(20-8-3-1-4-9-20,21-10-5-2-6-11-21)19-28(24)22-13-15-27(16-14-22)18-23-12-7-17-30-23/h1-12,17,22H,13-16,18-19H2,(H,26,29)
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13.4n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208005
PNG
(3-(1-(2-chlorobenzyl)-piperidin-4-yl)-5,5-diphenyl...)
Show SMILES Clc1ccccc1CN1CCC(CC1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28ClN3O/c28-25-14-8-7-9-21(25)19-30-17-15-24(16-18-30)31-20-27(29-26(31)32,22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-14,24H,15-20H2,(H,29,32)
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13.8n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332886
PNG
(CHEMBL1631294 | N-tert-Butyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C
Show InChI InChI=1S/C19H20Cl2N4O/c1-12-16(17(26)22-19(2,3)4)23-25(18(12)24-9-5-6-10-24)15-8-7-13(20)11-14(15)21/h5-11H,1-4H3,(H,22,26)
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14.6n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50207994
PNG
(3-(1-(4-chlorobenzyl)-piperidin-4-yl)-5,5-diphenyl...)
Show SMILES Clc1ccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C27H28ClN3O/c28-24-13-11-21(12-14-24)19-30-17-15-25(16-18-30)31-20-27(29-26(31)32,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,25H,15-20H2,(H,29,32)
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16.5n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208011
PNG
(3-(1-benzyl-piperidin-4-yl)-5,5-diphenyl-oxazolidi...)
Show SMILES O=C1OC(CN1C1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c30-26-29(25-16-18-28(19-17-25)20-22-10-4-1-5-11-22)21-27(31-26,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25H,16-21H2
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16.8n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208027
PNG
(1-(1-benzyl-piperidin-4-yl)-3-methyl-4,4-diphenyl-...)
Show SMILES CN1C(=O)N(CC1(c1ccccc1)c1ccccc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H31N3O/c1-29-27(32)31(26-17-19-30(20-18-26)21-23-11-5-2-6-12-23)22-28(29,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,26H,17-22H2,1H3
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18.5n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332891
PNG
(CHEMBL1631297 | N-tert-Butyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C |(5.09,-3.79,;4.63,-5.26,;3.18,-5.74,;3.18,-7.27,;4.65,-7.75,;5.13,-9.21,;5.55,-6.51,;7.08,-6.43,;7.62,-4.99,;6.79,-3.68,;9.14,-5.06,;9.56,-6.53,;8.28,-7.39,;8.28,-8.94,;6.95,-9.71,;6.95,-11.25,;8.28,-12.02,;8.28,-13.56,;9.62,-11.25,;9.61,-9.7,;10.96,-8.92,;9.92,-3.71,;9.16,-2.39,;11.47,-3.71,;12.24,-5.04,;13.78,-5.03,;11.47,-6.37,;13.17,-6.24,)|
Show InChI InChI=1S/C21H24Cl2N4O/c1-12-7-8-13(2)26(12)20-14(3)18(19(28)24-21(4,5)6)25-27(20)17-10-9-15(22)11-16(17)23/h7-11H,1-6H3,(H,24,28)
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20.2n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208025
PNG
(3-(1-(4-methoxybenzyl)-piperidin-4-yl)-5,5-dipheny...)
Show SMILES COc1ccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C28H31N3O2/c1-33-26-14-12-22(13-15-26)20-30-18-16-25(17-19-30)31-21-28(29-27(31)32,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25H,16-21H2,1H3,(H,29,32)
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25.8n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208026
PNG
(1-(1-benzyl-piperidin-4-yl)-3-benzyl-4-phenyl-imid...)
Show SMILES O=C1N(Cc2ccccc2)C(CN1C1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C28H31N3O/c32-28-30(26-16-18-29(19-17-26)20-23-10-4-1-5-11-23)22-27(25-14-8-3-9-15-25)31(28)21-24-12-6-2-7-13-24/h1-15,26-27H,16-22H2
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26.8n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332893
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCCC(C)(C)C |(14.88,-7.03,;14.36,-8.48,;12.9,-8.91,;12.84,-10.43,;14.29,-10.96,;14.71,-12.45,;15.24,-9.76,;16.78,-9.82,;17.32,-8.39,;16.49,-7.08,;18.84,-8.46,;19.26,-9.93,;17.98,-10.79,;17.98,-12.33,;16.65,-13.11,;16.65,-14.65,;17.98,-15.42,;17.98,-16.96,;19.32,-14.65,;19.31,-13.1,;20.66,-12.32,;19.67,-7.14,;18.95,-5.79,;21.21,-7.19,;21.93,-8.55,;23.47,-8.6,;24.2,-9.95,;23.39,-11.26,;25.74,-10,;24.74,-11.39,)|
Show InChI InChI=1S/C23H28Cl2N4O/c1-14-7-8-15(2)28(14)22-16(3)20(21(30)26-12-11-23(4,5)6)27-29(22)19-10-9-17(24)13-18(19)25/h7-10,13H,11-12H2,1-6H3,(H,26,30)
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37.5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332888
PNG
(1-(2,4-Dichlorophenyl)-N-(3,3-dimethylbutyl)-4-met...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCCC(C)(C)C
Show InChI InChI=1S/C21H24Cl2N4O/c1-14-18(19(28)24-10-9-21(2,3)4)25-27(20(14)26-11-5-6-12-26)17-8-7-15(22)13-16(17)23/h5-8,11-13H,9-10H2,1-4H3,(H,24,28)
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45.6n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332887
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-N-tert-pentyl-5-(1...)
Show SMILES CCC(C)(C)NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H22Cl2N4O/c1-5-20(3,4)23-18(27)17-13(2)19(25-10-6-7-11-25)26(24-17)16-9-8-14(21)12-15(16)22/h6-12H,5H2,1-4H3,(H,23,27)
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47.6n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50208008
PNG
(3-(1-(3-hydroxybenzyl)-piperidin-4-yl)-5,5-dipheny...)
Show SMILES Oc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C27H29N3O2/c31-25-13-7-8-21(18-25)19-29-16-14-24(15-17-29)30-20-27(28-26(30)32,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,18,24,31H,14-17,19-20H2,(H,28,32)
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47.9n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332888
PNG
(1-(2,4-Dichlorophenyl)-N-(3,3-dimethylbutyl)-4-met...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCCC(C)(C)C
Show InChI InChI=1S/C21H24Cl2N4O/c1-14-18(19(28)24-10-9-21(2,3)4)25-27(20(14)26-11-5-6-12-26)17-8-7-15(22)13-16(17)23/h5-8,11-13H,9-10H2,1-4H3,(H,24,28)
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52.4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50207995
PNG
(3-(1-(3-trifluoromethylbenzyl)-piperidin-4-yl)-5,5...)
Show SMILES FC(F)(F)c1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H28F3N3O/c29-28(30,31)24-13-7-8-21(18-24)19-33-16-14-25(15-17-33)34-20-27(32-26(34)35,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,18,25H,14-17,19-20H2,(H,32,35)
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53.5n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50208014
PNG
(3-(1-benzyl-tropin-4-yl)-5,5-diphenyl-imidazolidin...)
Show SMILES O=C1NC(CN1C1CC2CCC(C1)N2Cc1ccccc1)(c1ccccc1)c1ccccc1 |TLB:5:6:13:9.10|
Show InChI InChI=1S/C29H31N3O/c33-28-30-29(23-12-6-2-7-13-23,24-14-8-3-9-15-24)21-32(28)27-18-25-16-17-26(19-27)31(25)20-22-10-4-1-5-11-22/h1-15,25-27H,16-21H2,(H,30,33)
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65n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50208002
PNG
(3-(1-benzyl-piperidin-4-yl)-5-phenyl-5-cyclohexyl-...)
Show SMILES O=C1NC(CN1C1CCN(Cc2ccccc2)CC1)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C27H35N3O/c31-26-28-27(23-12-6-2-7-13-23,24-14-8-3-9-15-24)21-30(26)25-16-18-29(19-17-25)20-22-10-4-1-5-11-22/h1-2,4-7,10-13,24-25H,3,8-9,14-21H2,(H,28,31)
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73.3n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50208015
PNG
(3-(1-benzylpiperidin-4-yl)-5,5-diphenyl-imidazolid...)
Show SMILES O=C1NC(CN1C1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H29N3O/c31-26-28-27(23-12-6-2-7-13-23,24-14-8-3-9-15-24)21-30(26)25-16-18-29(19-17-25)20-22-10-4-1-5-11-22/h1-15,25H,16-21H2,(H,28,31)
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80.1n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332874
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-N-pentyl-5-(1H-pyr...)
Show SMILES CCCCCNC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H22Cl2N4O/c1-3-4-5-10-23-19(27)18-14(2)20(25-11-6-7-12-25)26(24-18)17-9-8-15(21)13-16(17)22/h6-9,11-13H,3-5,10H2,1-2H3,(H,23,27)
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81n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208023
PNG
((S)-3-(1-benzyl-pyrrolidin-3-yl)-5,5-diphenyl-imid...)
Show SMILES O=C1NC(CN1[C@H]1CCN(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H27N3O/c30-25-27-26(22-12-6-2-7-13-22,23-14-8-3-9-15-23)20-29(25)24-16-17-28(19-24)18-21-10-4-1-5-11-21/h1-15,24H,16-20H2,(H,27,30)/t24-/m0/s1
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82n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50208020
PNG
((R)-3-(1-benzyl-pyrrolidin-3-yl)-5,5-diphenyl-imid...)
Show SMILES O=C1NC(CN1[C@@H]1CCN(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H27N3O/c30-25-27-26(22-12-6-2-7-13-22,23-14-8-3-9-15-23)20-29(25)24-16-17-28(19-24)18-21-10-4-1-5-11-21/h1-15,24H,16-20H2,(H,27,30)/t24-/m1/s1
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82.2n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50207989
PNG
(3-(1-(2-methoxybenzyl)-piperidin-4-yl)-5,5-dipheny...)
Show SMILES COc1ccccc1CN1CCC(CC1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O2/c1-33-26-15-9-8-10-22(26)20-30-18-16-25(17-19-30)31-21-28(29-27(31)32,23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-15,25H,16-21H2,1H3,(H,29,32)
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83.7n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332886
PNG
(CHEMBL1631294 | N-tert-Butyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C
Show InChI InChI=1S/C19H20Cl2N4O/c1-12-16(17(26)22-19(2,3)4)23-25(18(12)24-9-5-6-10-24)15-8-7-13(20)11-14(15)21/h5-11H,1-4H3,(H,22,26)
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89.5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332895
PNG
(1-(2,4-Difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NCCC(C)(C)C |(.88,1.17,;.41,-.3,;-1.04,-.77,;-1.05,-2.3,;.42,-2.78,;.89,-4.25,;1.33,-1.55,;2.86,-1.48,;3.4,-.04,;2.57,1.26,;4.92,-.12,;5.33,-1.59,;4.06,-2.44,;4.06,-3.99,;2.73,-4.76,;2.73,-6.3,;4.06,-7.08,;4.06,-8.62,;5.4,-6.3,;5.39,-4.75,;6.74,-3.97,;5.74,1.21,;5.03,2.55,;7.29,1.15,;8.01,-.2,;9.55,-.25,;10.28,-1.61,;9.46,-2.92,;11.82,-1.67,;10.82,-3.05,)|
Show InChI InChI=1S/C23H28F2N4O/c1-14-7-8-15(2)28(14)22-16(3)20(21(30)26-12-11-23(4,5)6)27-29(22)19-10-9-17(24)13-18(19)25/h7-10,13H,11-12H2,1-6H3,(H,26,30)
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90.7n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50208024
PNG
(3-(1-benzyl-piperidin-4-yl)-5,5-di-(2-thienyl)-imi...)
Show SMILES O=C1NC(CN1C1CCN(Cc2ccccc2)CC1)(c1cccs1)c1cccs1
Show InChI InChI=1S/C23H25N3OS2/c27-22-24-23(20-8-4-14-28-20,21-9-5-15-29-21)17-26(22)19-10-12-25(13-11-19)16-18-6-2-1-3-7-18/h1-9,14-15,19H,10-13,16-17H2,(H,24,27)
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96.8n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332883
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(17.09,-5.48,;16.32,-4.15,;14.78,-4.15,;14,-2.82,;12.46,-2.82,;11.69,-1.49,;10.15,-1.5,;9.37,-.17,;7.83,-.17,;7.06,1.15,;7.05,-1.53,;7.47,-3,;6.19,-3.85,;4.99,-2.89,;5.53,-1.45,;4.7,-.15,;3.56,-3.44,;2.3,-2.54,;2.25,-.99,;1.08,-3.45,;1.55,-4.9,;3.09,-4.9,;3.61,-5.69,;6.19,-5.4,;4.86,-6.17,;4.86,-7.71,;6.19,-8.48,;6.19,-10.02,;7.53,-7.71,;7.53,-6.16,;8.87,-5.38,)|
Show InChI InChI=1S/C24H30Cl2N4O/c1-5-6-7-8-9-14-27-23(31)22-18(4)24(29-16(2)10-11-17(29)3)30(28-22)21-13-12-19(25)15-20(21)26/h10-13,15H,5-9,14H2,1-4H3,(H,27,31)
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97.2n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
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