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Compile Data Set for Download or QSAR

Found 17 hits of ic50 for monomerid = 50105107   
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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50105107
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2
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n/an/a 280n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of human dopamine receptor D4.4


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105107
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2
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n/an/a 758n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of human dopamine receptor D3


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50105107
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2
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n/an/a 950n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of human 5-hydroxytryptamine 2A receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50105107
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2
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n/an/a 954n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50105107
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2
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n/an/a 1.86E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of human dopamine receptor D5


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50105107
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2
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n/an/a 1.93E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50105107
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2
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n/an/a 1.98E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50105107
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2
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n/an/a 2.13E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of human 5-hydroxytryptamine 7 receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50105107
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2
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n/an/a 2.15E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50105107
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2
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n/an/a 2.19E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of alpha-1 adrenergic receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))
BDBM50105107
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2
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n/an/a 2.35E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against L-type calcium channel verapamil site


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50105107
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2
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n/an/a 2.75E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of human dopamine receptor D1


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50105107
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2
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n/an/a 3.71E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of ligand binding to human delta opioid receptor.


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105107
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2
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n/an/a 3.81E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against mu opiate receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50105107
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2
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n/an/a 4.07E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of human 5-hydroxytryptamine 2C receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50105107
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2
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n/an/a 5.52E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 5A receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50105107
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2
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n/an/a 7.78E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of human 5-hydroxytryptamine 6 receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair