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PubMed code 17352462

Compile data set for download or QSAR
Found 90 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 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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PubMed
 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
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
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
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
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
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
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
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
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
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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50208021
PNG
(3-(1-Phenyl-piperidin-4-yl)-5,5-diphenyl-imidazoli...)
Show SMILES O=C1NC(CN1C1CCN(CC1)c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H27N3O/c30-25-27-26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)20-29(25)24-16-18-28(19-17-24)23-14-8-3-9-15-23/h1-15,24H,16-20H2,(H,27,30)
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 101n/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))		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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 107n/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))		BDBM50207992
PNG
(3-(1-benzyl-piperidin-4-yl)-5,5-di-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)C1(CN(C2CCN(Cc3ccccc3)CC2)C(=O)N1)c1ccc(OC)cc1
Show InChI InChI=1S/C29H33N3O3/c1-34-26-12-8-23(9-13-26)29(24-10-14-27(35-2)15-11-24)21-32(28(33)30-29)25-16-18-31(19-17-25)20-22-6-4-3-5-7-22/h3-15,25H,16-21H2,1-2H3,(H,30,33)
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 114n/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))		BDBM50208010
PNG
(3-(1-phenylethyl-piperidin-4-yl)-5,5-diphenyl-imid...)
Show SMILES O=C1NC(CN1C1CCN(CCc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O/c32-27-29-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)22-31(27)26-17-20-30(21-18-26)19-16-23-10-4-1-5-11-23/h1-15,26H,16-22H2,(H,29,32)
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 117n/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))		BDBM50207986
PNG
(3-(1-benzyl-piperidin-4-yl)-5,5-dibenzyl-imidazoli...)
Show SMILES O=C1NC(Cc2ccccc2)(Cc2ccccc2)CN1C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H33N3O/c33-28-30-29(20-24-10-4-1-5-11-24,21-25-12-6-2-7-13-25)23-32(28)27-16-18-31(19-17-27)22-26-14-8-3-9-15-26/h1-15,27H,16-23H2,(H,30,33)
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 152n/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))		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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 166n/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))		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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 182n/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))		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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 187n/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))		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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 207n/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))		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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 225n/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))		BDBM50208000
PNG
(3-(1-phenoxyethyl-piperidin-4-yl)-5,5-diphenyl-imi...)
Show SMILES O=C1NC(CN1C1CCN(CCOc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O2/c32-27-29-28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)22-31(27)25-16-18-30(19-17-25)20-21-33-26-14-8-3-9-15-26/h1-15,25H,16-22H2,(H,29,32)
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 228n/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))		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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 296n/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))		BDBM50207991
PNG
(3-(1-(3-pyridylmethyl)-piperidin-4-yl)-5,5-dipheny...)
Show SMILES O=C1NC(CN1C1CCN(Cc2cccnc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H28N4O/c31-25-28-26(22-9-3-1-4-10-22,23-11-5-2-6-12-23)20-30(25)24-13-16-29(17-14-24)19-21-8-7-15-27-18-21/h1-12,15,18,24H,13-14,16-17,19-20H2,(H,28,31)
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 302n/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))		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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 302n/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))		BDBM50208000
PNG
(3-(1-phenoxyethyl-piperidin-4-yl)-5,5-diphenyl-imi...)
Show SMILES O=C1NC(CN1C1CCN(CCOc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O2/c32-27-29-28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)22-31(27)25-16-18-30(19-17-25)20-21-33-26-14-8-3-9-15-26/h1-15,25H,16-22H2,(H,29,32)
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 328n/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))		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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 328n/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))		BDBM50208009
PNG
(3-(1-cyclohexylmethyl-piperidin-4-yl)-5,5-diphenyl...)
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/h2-3,6-9,12-15,22,25H,1,4-5,10-11,16-21H2,(H,28,31)
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 354n/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))		BDBM50208010
PNG
(3-(1-phenylethyl-piperidin-4-yl)-5,5-diphenyl-imid...)
Show SMILES O=C1NC(CN1C1CCN(CCc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O/c32-27-29-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)22-31(27)26-17-20-30(21-18-26)19-16-23-10-4-1-5-11-23/h1-15,26H,16-22H2,(H,29,32)
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 411n/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))		BDBM50208028
PNG
(3-(1-(3-cyanobenzyl)-piperidin-4-yl)-5,5-diphenyl-...)
Show SMILES O=C1NC(CN1C1CCN(Cc2cccc(c2)C#N)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H28N4O/c29-19-22-8-7-9-23(18-22)20-31-16-14-26(15-17-31)32-21-28(30-27(32)33,24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-13,18,26H,14-17,20-21H2,(H,30,33)
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 418n/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))		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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 490n/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))		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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 515n/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))		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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 520n/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))		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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 629n/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))		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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 695n/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))		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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 908n/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))		BDBM50208017
PNG
(3-(1-methyl-piperidin-4-yl)-5,5-diphenyl-imidazoli...)
Show SMILES CN1CCC(CC1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25N3O/c1-23-14-12-19(13-15-23)24-16-21(22-20(24)25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,22,25)
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 923n/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))		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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 927n/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))		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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 955n/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))		BDBM50207993
PNG
(3-(1-(4-imidazolylmethyl)-piperidin-4-yl)-5,5-diph...)
Show SMILES O=C1NC(CN1C1CCN(Cc2cnc[nH]2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O/c30-23-27-24(19-7-3-1-4-8-19,20-9-5-2-6-10-20)17-29(23)22-11-13-28(14-12-22)16-21-15-25-18-26-21/h1-10,15,18,22H,11-14,16-17H2,(H,25,26)(H,27,30)
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 1.06E+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))		BDBM50207991
PNG
(3-(1-(3-pyridylmethyl)-piperidin-4-yl)-5,5-dipheny...)
Show SMILES O=C1NC(CN1C1CCN(Cc2cccnc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H28N4O/c31-25-28-26(22-9-3-1-4-10-22,23-11-5-2-6-12-23)20-30(25)24-13-16-29(17-14-24)19-21-8-7-15-27-18-21/h1-12,15,18,24H,13-14,16-17,19-20H2,(H,28,31)
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 1.13E+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 M2


(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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 1.14E+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 M3


(Homo sapiens (Human))		BDBM50208016
PNG
(3-(1-phenylpropyl-piperidin-4-yl)-5,5-diphenyl-imi...)
Show SMILES O=C1NC(CN1C1CCN(CCCc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33N3O/c33-28-30-29(25-14-6-2-7-15-25,26-16-8-3-9-17-26)23-32(28)27-18-21-31(22-19-27)20-10-13-24-11-4-1-5-12-24/h1-9,11-12,14-17,27H,10,13,18-23H2,(H,30,33)
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 1.63E+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 M2


(Homo sapiens (Human))		BDBM50208016
PNG
(3-(1-phenylpropyl-piperidin-4-yl)-5,5-diphenyl-imi...)
Show SMILES O=C1NC(CN1C1CCN(CCCc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33N3O/c33-28-30-29(25-14-6-2-7-15-25,26-16-8-3-9-17-26)23-32(28)27-18-21-31(22-19-27)20-10-13-24-11-4-1-5-12-24/h1-9,11-12,14-17,27H,10,13,18-23H2,(H,30,33)
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 1.68E+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 M3


(Homo sapiens (Human))		BDBM50208022
PNG
(3-(1-(3-trifluoromethoxybenzyl)-piperidin-4-yl)-5,...)
Show SMILES FC(F)(F)Oc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H28F3N3O2/c29-28(30,31)36-25-13-7-8-21(18-25)19-33-16-14-24(15-17-33)34-20-27(32-26(34)35,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,18,24H,14-17,19-20H2,(H,32,35)
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 2.06E+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))		BDBM50208012
PNG
(3-(1-benzylpiperidin-4-yl)-5,5-diphenyl-imidazolid...)
Show SMILES O=C1NC(C(=O)N1C1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H27N3O2/c31-25-27(22-12-6-2-7-13-22,23-14-8-3-9-15-23)28-26(32)30(25)24-16-18-29(19-17-24)20-21-10-4-1-5-11-21/h1-15,24H,16-20H2,(H,28,32)
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 2.19E+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 M2


(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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 2.27E+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 M3


(Homo sapiens (Human))		BDBM50208013
PNG
(3-(1-benzyl-piperidin-3-yl)-5,5-diphenyl-imidazoli...)
Show SMILES O=C1NC(CN1C1CCCN(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H29N3O/c31-26-28-27(23-13-6-2-7-14-23,24-15-8-3-9-16-24)21-30(26)25-17-10-18-29(20-25)19-22-11-4-1-5-12-22/h1-9,11-16,25H,10,17-21H2,(H,28,31)
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 2.45E+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 M2


(Homo sapiens (Human))		BDBM50208017
PNG
(3-(1-methyl-piperidin-4-yl)-5,5-diphenyl-imidazoli...)
Show SMILES CN1CCC(CC1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25N3O/c1-23-14-12-19(13-15-23)24-16-21(22-20(24)25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,22,25)
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 2.92E+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))		BDBM50207986
PNG
(3-(1-benzyl-piperidin-4-yl)-5,5-dibenzyl-imidazoli...)
Show SMILES O=C1NC(Cc2ccccc2)(Cc2ccccc2)CN1C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H33N3O/c33-28-30-29(20-24-10-4-1-5-11-24,21-25-12-6-2-7-13-25)23-32(28)27-16-18-31(19-17-27)22-26-14-8-3-9-15-26/h1-15,27H,16-23H2,(H,30,33)
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 2.95E+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
Cytochrome P450 2C9


(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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n/an/a 4.20E+3n/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9 expressed in insect 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
Cytochrome P450 2D6


(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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n/an/a 4.70E+3n/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 expressed in insect 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
Cytochrome P450 2D6


(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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n/an/a 5.30E+3n/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 expressed in insect 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
Cytochrome P450 2C9


(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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n/an/a 7.00E+3n/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9 expressed in insect 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
Cytochrome P450 2C9


(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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n/an/a 7.30E+3n/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9 expressed in insect 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
Cytochrome P450 2D6


(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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n/an/a 1.20E+4n/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 expressed in insect 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
Cytochrome P450 2C19


(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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n/an/a 1.29E+4n/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19 expressed in insect 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
Cytochrome P450 2C19


(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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n/an/a 1.74E+4n/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19 expressed in insect 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
Cytochrome P450 2C19


(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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n/an/a 1.77E+4n/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19 expressed in insect 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
Cytochrome P450 3A4


(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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n/an/a 9.19E+4n/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 expressed in insect 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
Cytochrome P450 3A4


(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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n/an/a>1.00E+5n/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 expressed in insect 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
Cytochrome P450 1A2


(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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n/an/a>1.00E+5n/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in insect 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
Cytochrome P450 1A2


(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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n/an/a>1.00E+5n/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in insect 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
Cytochrome P450 1A2


(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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n/an/a>1.00E+5n/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in insect 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
Cytochrome P450 3A4


(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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n/an/a>1.00E+5n/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 expressed in insect 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
* indicates data uncertainty>20%