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Compile Data Set for Download or QSAR

Found 60 hits of ki for monomerid = 50326219   
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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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18n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic alpha1A receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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40n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic Alpha-1D receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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65n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic Alpha-1B receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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77n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D2S receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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280n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT1A receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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530n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic alpha2A receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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610n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H1 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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840n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha2B receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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891n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Competitive inhibition of EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 4 hrs by FRET assay in pre...


J Med Chem 55: 2125-43 (2012)


Article DOI: 10.1021/jm201348t
BindingDB Entry DOI: 10.7270/Q2XW4KZ2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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980n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M2 receptor expressed in CHO-K1 cells coexpressing Galpha16 subunit assessed as increase of acetylcholine-induce...


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human choline transporter (CHT1) by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to ML2 (MT3) receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT7 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human NE transporter by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human NK2 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human UT1 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human D2S agonist site receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M4 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine transporter by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT4e receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to p38alpha by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human acetylcholine esterase by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D3 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y1 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human MT1 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M3 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor agonist site by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human ETA receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to Lyn by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D1 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Nischarin


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to I1 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to MAOA by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT transporter by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor agonist site by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to nAChR alpha4beta2 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT3 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1B receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta2 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human NK1 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human CCK2 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic beta-1 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor agonist site by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
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