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PubMed code 23353740

Compile data set for download or QSAR
Found 21 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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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PubMed
20n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5HT2A receptor in Wistar rat cortical membrane after 15 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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24n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from human 5HT2C receptor after 60 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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29n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1B adrenergic receptor in Wistar rat liver membrane after 45 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50429260
PNG
(CHEMBL2333732)
Show SMILES Oc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H21ClN4O/c21-17-1-3-19(4-2-17)25-15-16(13-22-25)14-23-9-11-24(12-10-23)18-5-7-20(26)8-6-18/h1-8,13,15,26H,9-12,14H2
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34n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 from human D4 dopamine receptor after 120 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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60n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 from human D4 dopamine receptor after 120 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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100n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from alpha2A adrenergic receptor in Wistar rat cortical membrane after 45 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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130n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 from D2 dopamine receptor in Wistar rat brain striatal membrane after 60 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50308002
PNG
(1-[(1-(4-Chlorophenyl)-1H-pyrazol-4-yl)methyl]-4-p...)
Show SMILES Clc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)cn1
Show InChI InChI=1S/C20H21ClN4/c21-18-6-8-20(9-7-18)25-16-17(14-22-25)15-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2
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170n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 from human D4 dopamine receptor after 120 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50308002
PNG
(1-[(1-(4-Chlorophenyl)-1H-pyrazol-4-yl)methyl]-4-p...)
Show SMILES Clc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)cn1
Show InChI InChI=1S/C20H21ClN4/c21-18-6-8-20(9-7-18)25-16-17(14-22-25)15-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2
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210n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-8-DPAT from 5HT1A receptor in Wistar rat hippocampal membrane after 15 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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260n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-8-DPAT from 5HT1A receptor in Wistar rat hippocampal membrane after 15 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50308002
PNG
(1-[(1-(4-Chlorophenyl)-1H-pyrazol-4-yl)methyl]-4-p...)
Show SMILES Clc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)cn1
Show InChI InChI=1S/C20H21ClN4/c21-18-6-8-20(9-7-18)25-16-17(14-22-25)15-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2
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380n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 from D2 dopamine receptor in Wistar rat brain striatal membrane after 60 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50429260
PNG
(CHEMBL2333732)
Show SMILES Oc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H21ClN4O/c21-17-1-3-19(4-2-17)25-15-16(13-22-25)14-23-9-11-24(12-10-23)18-5-7-20(26)8-6-18/h1-8,13,15,26H,9-12,14H2
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530n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 from D2 dopamine receptor in Wistar rat brain striatal membrane after 60 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50429260
PNG
(CHEMBL2333732)
Show SMILES Oc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H21ClN4O/c21-17-1-3-19(4-2-17)25-15-16(13-22-25)14-23-9-11-24(12-10-23)18-5-7-20(26)8-6-18/h1-8,13,15,26H,9-12,14H2
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1.15E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1B adrenergic receptor in Wistar rat liver membrane after 45 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50308002
PNG
(1-[(1-(4-Chlorophenyl)-1H-pyrazol-4-yl)methyl]-4-p...)
Show SMILES Clc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)cn1
Show InChI InChI=1S/C20H21ClN4/c21-18-6-8-20(9-7-18)25-16-17(14-22-25)15-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2
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2.49E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from alpha2A adrenergic receptor in Wistar rat cortical membrane after 45 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50308002
PNG
(1-[(1-(4-Chlorophenyl)-1H-pyrazol-4-yl)methyl]-4-p...)
Show SMILES Clc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)cn1
Show InChI InChI=1S/C20H21ClN4/c21-18-6-8-20(9-7-18)25-16-17(14-22-25)15-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2
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3.00E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1B adrenergic receptor in Wistar rat liver membrane after 45 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50429260
PNG
(CHEMBL2333732)
Show SMILES Oc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H21ClN4O/c21-17-1-3-19(4-2-17)25-15-16(13-22-25)14-23-9-11-24(12-10-23)18-5-7-20(26)8-6-18/h1-8,13,15,26H,9-12,14H2
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5.87E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-8-DPAT from 5HT1A receptor in Wistar rat hippocampal membrane after 15 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50429260
PNG
(CHEMBL2333732)
Show SMILES Oc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H21ClN4O/c21-17-1-3-19(4-2-17)25-15-16(13-22-25)14-23-9-11-24(12-10-23)18-5-7-20(26)8-6-18/h1-8,13,15,26H,9-12,14H2
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6.45E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from alpha2A adrenergic receptor in Wistar rat cortical membrane after 45 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50308002
PNG
(1-[(1-(4-Chlorophenyl)-1H-pyrazol-4-yl)methyl]-4-p...)
Show SMILES Clc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)cn1
Show InChI InChI=1S/C20H21ClN4/c21-18-6-8-20(9-7-18)25-16-17(14-22-25)15-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2
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6.82E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5HT2A receptor in Wistar rat cortical membrane after 15 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50429260
PNG
(CHEMBL2333732)
Show SMILES Oc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H21ClN4O/c21-17-1-3-19(4-2-17)25-15-16(13-22-25)14-23-9-11-24(12-10-23)18-5-7-20(26)8-6-18/h1-8,13,15,26H,9-12,14H2
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8.22E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5HT2A receptor in Wistar rat cortical membrane after 15 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM50308002
PNG
(1-[(1-(4-Chlorophenyl)-1H-pyrazol-4-yl)methyl]-4-p...)
Show SMILES Clc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)cn1
Show InChI InChI=1S/C20H21ClN4/c21-18-6-8-20(9-7-18)25-16-17(14-22-25)15-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2
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8.44E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from human 5HT2C receptor after 60 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM50429260
PNG
(CHEMBL2333732)
Show SMILES Oc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H21ClN4O/c21-17-1-3-19(4-2-17)25-15-16(13-22-25)14-23-9-11-24(12-10-23)18-5-7-20(26)8-6-18/h1-8,13,15,26H,9-12,14H2
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PC cid
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PubMed
1.23E+4n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from human 5HT2C receptor after 60 mins by liquid scintillation counting


Eur J Med Chem 62: 214-21 (2013)


Article DOI: 10.1016/j.ejmech.2012.08.011
BindingDB Entry DOI: 10.7270/Q2QZ2CBK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%