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43 similar compounds to monomer 50208015

Compile data set for download or QSAR
Wt: 445.9
BDBM50207987
Wt: 426.5
BDBM50207988
Wt: 441.5
BDBM50207989
Wt: 412.5
BDBM50207991
Wt: 471.5
BDBM50207992
Wt: 445.9
BDBM50207994
Wt: 479.5
BDBM50207995
Wt: 425.5
BDBM50207996
Wt: 441.5
BDBM50207997
Wt: 431.6
BDBM50207998
Wt: 447.5
BDBM50208001
Wt: 417.5
BDBM50208002
Wt: 425.5
BDBM50208003
Wt: 429.5
BDBM50208004
Wt: 445.9
BDBM50208005
Displayed 1 to 15 (of 43 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50207987,50207988,50207989,50207991,50207992,50207994,50207995,50207996,50207997,50207998,50208001,50208002,50208003,50208004,50208005   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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=1/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 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=1/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=1/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))
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))
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=1/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))
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))
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))
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))
BDBM50208002
PNG
(3-(1-benzyl-piperidin-4-yl)-5-phenyl-5-cyclohexyl-...)
Show SMILES O=C1NC(CN1C1CCN(Cc2ccccc2)CC1)(C1CCCCC1)c1ccccc1
Show InChI InChI=1/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 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 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 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=1/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))
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 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))
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 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 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
Cytochrome P450 1A


(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 2D6 (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 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 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 3A


(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