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Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'ozoe' and Initial = 'f'   
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
Gamma-aminobutyric acid receptor subunit beta-3


(Homo sapiens (Human))
BDBM50214664
PNG
(5-chloromethyl-1-(2,6-dichloro-4-trifluoromethylph...)
Show SMILES CCCc1nnn(c1CCl)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(32.44,-26.02,;31.19,-25.11,;31.36,-23.58,;30.11,-22.67,;30.12,-21.13,;28.65,-20.65,;27.75,-21.9,;28.65,-23.14,;28.17,-24.61,;29.2,-25.75,;26.21,-21.89,;25.45,-23.23,;26.22,-24.56,;23.91,-23.23,;23.14,-21.89,;23.91,-20.56,;25.45,-20.56,;26.22,-19.23,;21.6,-21.89,;20.04,-21.96,;21.56,-20.35,;21.65,-23.43,)|
Show InChI InChI=1S/C13H11Cl3F3N3/c1-2-3-10-11(6-14)22(21-20-10)12-8(15)4-7(5-9(12)16)13(17,18)19/h4-5H,2-3,6H2,1H3
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0.659n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-3


(Homo sapiens (Human))
BDBM50214659
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-5-methyl-...)
Show SMILES CCCc1nnn(c1C)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(3.52,-8.6,;2.27,-7.69,;2.44,-6.16,;1.2,-5.26,;1.2,-3.72,;-.27,-3.23,;-1.17,-4.48,;-.27,-5.73,;-.75,-7.19,;-2.71,-4.48,;-3.47,-5.81,;-2.69,-7.14,;-5,-5.82,;-5.78,-4.48,;-5.01,-3.14,;-3.47,-3.14,;-2.7,-1.81,;-7.32,-4.48,;-8.87,-4.54,;-7.36,-2.94,;-7.27,-6.02,)|
Show InChI InChI=1S/C13H12Cl2F3N3/c1-3-4-11-7(2)21(20-19-11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3
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1.90n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-3


(Homo sapiens (Human))
BDBM50214673
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-5-hydroxy...)
Show SMILES CCCc1nnn(c1CO)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(3.18,-26.58,;1.93,-25.67,;2.1,-24.14,;.85,-23.23,;.86,-21.69,;-.61,-21.21,;-1.51,-22.46,;-.61,-23.7,;-1.09,-25.17,;-.06,-26.31,;-3.05,-22.45,;-3.81,-23.79,;-3.04,-25.12,;-5.35,-23.79,;-6.12,-22.45,;-5.35,-21.12,;-3.81,-21.12,;-3.04,-19.79,;-7.66,-22.45,;-9.22,-22.52,;-7.7,-20.91,;-7.61,-23.99,)|
Show InChI InChI=1S/C13H12Cl2F3N3O/c1-2-3-10-11(6-22)21(20-19-10)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-3


(Homo sapiens (Human))
BDBM50214650
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4,5-dieth...)
Show SMILES CCc1nnn(c1CC)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(31.28,.4,;31.44,1.93,;30.2,2.84,;30.21,4.38,;28.74,4.86,;27.84,3.62,;28.73,2.37,;28.25,.9,;29.28,-.24,;26.3,3.62,;25.53,2.29,;26.31,.95,;24,2.28,;23.22,3.62,;23.99,4.95,;25.53,4.95,;26.31,6.28,;21.68,3.62,;20.13,3.55,;21.65,5.16,;21.73,2.08,)|
Show InChI InChI=1S/C13H12Cl2F3N3/c1-3-10-11(4-2)21(20-19-10)12-8(14)5-7(6-9(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3
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4.30n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-3


(Homo sapiens (Human))
BDBM50214662
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4-ethyl-5...)
Show SMILES CCc1nnn(c1C)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(2.91,.76,;3.08,2.29,;1.83,3.2,;1.84,4.74,;.37,5.22,;-.53,3.97,;.37,2.73,;-.11,1.26,;-2.07,3.98,;-2.83,2.64,;-2.06,1.31,;-4.37,2.64,;-5.14,3.98,;-4.37,5.31,;-2.83,5.31,;-2.06,6.64,;-6.68,3.98,;-8.24,3.91,;-6.72,5.52,;-6.63,2.44,)|
Show InChI InChI=1S/C12H10Cl2F3N3/c1-3-10-6(2)20(19-18-10)11-8(13)4-7(5-9(11)14)12(15,16)17/h4-5H,3H2,1-2H3
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7.10n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-3


(Homo sapiens (Human))
BDBM50214670
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-5-ethyl-4...)
Show SMILES CCCc1nnn(c1CC)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(3.56,-17.92,;2.31,-17.01,;2.48,-15.48,;1.23,-14.57,;1.24,-13.03,;-.23,-12.55,;-1.13,-13.8,;-.23,-15.05,;-.71,-16.51,;.32,-17.66,;-2.67,-13.8,;-3.43,-15.13,;-2.66,-16.46,;-4.97,-15.13,;-5.74,-13.79,;-4.97,-12.46,;-3.43,-12.46,;-2.66,-11.13,;-7.28,-13.79,;-8.84,-13.86,;-7.32,-12.25,;-7.23,-15.33,)|
Show InChI InChI=1S/C14H14Cl2F3N3/c1-3-5-11-12(4-2)22(21-20-11)13-9(15)6-8(7-10(13)16)14(17,18)19/h6-7H,3-5H2,1-2H3
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8.10n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-3


(Homo sapiens (Human))
BDBM50214665
PNG
(1-(2,6-dibromo-4-trifluoromethylphenyl)-5-methyl-4...)
Show SMILES CCCc1nnn(c1C)-c1c(Br)cc(cc1Br)C(F)(F)F |(32.3,-8.5,;31.05,-7.59,;31.22,-6.06,;29.97,-5.15,;29.98,-3.61,;28.51,-3.13,;27.61,-4.38,;28.51,-5.63,;28.03,-7.09,;26.07,-4.38,;25.31,-5.71,;26.08,-7.04,;23.77,-5.71,;23,-4.37,;23.77,-3.04,;25.31,-3.04,;26.08,-1.71,;21.46,-4.38,;19.9,-4.44,;21.42,-2.84,;21.51,-5.91,)|
Show InChI InChI=1S/C13H12Br2F3N3/c1-3-4-11-7(2)21(20-19-11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3
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14n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-3


(Homo sapiens (Human))
BDBM50214653
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4-ethyl-5...)
Show SMILES CCCc1c(CC)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(14.13,-18.44,;14.61,-16.98,;13.58,-15.83,;14.06,-14.37,;15.53,-13.9,;16.77,-14.81,;16.61,-16.34,;15.54,-12.36,;14.07,-11.88,;13.17,-13.12,;11.63,-13.12,;10.87,-14.45,;11.64,-15.78,;9.33,-14.46,;8.55,-13.12,;9.33,-11.78,;10.86,-11.79,;11.64,-10.45,;7.01,-13.12,;5.46,-13.19,;6.98,-11.58,;7.06,-14.66,)|
Show InChI InChI=1S/C14H14Cl2F3N3/c1-3-5-12-11(4-2)20-21-22(12)13-9(15)6-8(7-10(13)16)14(17,18)19/h6-7H,3-5H2,1-2H3
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47n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-3


(Homo sapiens (Human))
BDBM50214661
PNG
(4-chloromethyl-1-(2,6-dichloro-4-trifluoromethylph...)
Show SMILES CCCc1c(CCl)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(.33,-36.35,;.81,-34.89,;-.22,-33.74,;.26,-32.27,;1.72,-31.8,;2.97,-32.71,;2.8,-34.24,;1.73,-30.26,;.26,-29.78,;-.64,-31.03,;-2.18,-31.02,;-2.94,-32.36,;-2.17,-33.69,;-4.48,-32.36,;-5.25,-31.02,;-4.48,-29.69,;-2.94,-29.69,;-2.17,-28.36,;-6.79,-31.02,;-8.35,-31.09,;-6.83,-29.48,;-6.74,-32.56,)|
Show InChI InChI=1S/C13H11Cl3F3N3/c1-2-3-11-10(6-14)20-21-22(11)12-8(15)4-7(5-9(12)16)13(17,18)19/h4-5H,2-3,6H2,1H3
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67n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-3


(Homo sapiens (Human))
BDBM50214647
PNG
(1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-ethyl...)
Show SMILES CCc1c(C)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(12.11,-8.8,;11.08,-7.65,;11.56,-6.19,;13.03,-5.71,;14.27,-6.62,;13.03,-4.17,;11.56,-3.69,;10.66,-4.94,;9.12,-4.94,;8.36,-6.27,;9.14,-7.6,;6.83,-6.27,;6.05,-4.93,;6.82,-3.6,;8.36,-3.6,;9.13,-2.27,;4.51,-4.94,;2.96,-5,;4.47,-3.4,;4.56,-6.47,)|
Show InChI InChI=1S/C12H10Cl2F3N3/c1-3-10-6(2)18-19-20(10)11-8(13)4-7(5-9(11)14)12(15,16)17/h4-5H,3H2,1-2H3
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70.1n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-3


(Homo sapiens (Human))
BDBM50214648
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4,5-di-np...)
Show SMILES CCCc1nnn(c1CCC)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(32.47,-16.5,;31.22,-15.59,;31.39,-14.06,;30.14,-13.15,;30.15,-11.61,;28.68,-11.13,;27.78,-12.38,;28.68,-13.62,;28.2,-15.09,;29.23,-16.23,;28.75,-17.7,;26.24,-12.37,;25.48,-13.71,;26.25,-15.04,;23.94,-13.71,;23.17,-12.37,;23.94,-11.04,;25.48,-11.04,;26.25,-9.71,;21.63,-12.37,;20.07,-12.44,;21.59,-10.83,;21.68,-13.91,)|
Show InChI InChI=1S/C15H16Cl2F3N3/c1-3-5-12-13(6-4-2)23(22-21-12)14-10(16)7-9(8-11(14)17)15(18,19)20/h7-8H,3-6H2,1-2H3
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128n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214664
PNG
(5-chloromethyl-1-(2,6-dichloro-4-trifluoromethylph...)
Show SMILES CCCc1nnn(c1CCl)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(32.44,-26.02,;31.19,-25.11,;31.36,-23.58,;30.11,-22.67,;30.12,-21.13,;28.65,-20.65,;27.75,-21.9,;28.65,-23.14,;28.17,-24.61,;29.2,-25.75,;26.21,-21.89,;25.45,-23.23,;26.22,-24.56,;23.91,-23.23,;23.14,-21.89,;23.91,-20.56,;25.45,-20.56,;26.22,-19.23,;21.6,-21.89,;20.04,-21.96,;21.56,-20.35,;21.65,-23.43,)|
Show InChI InChI=1S/C13H11Cl3F3N3/c1-2-3-10-11(6-14)22(21-20-10)12-8(15)4-7(5-9(12)16)13(17,18)19/h4-5H,2-3,6H2,1H3
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266n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214659
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-5-methyl-...)
Show SMILES CCCc1nnn(c1C)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(3.52,-8.6,;2.27,-7.69,;2.44,-6.16,;1.2,-5.26,;1.2,-3.72,;-.27,-3.23,;-1.17,-4.48,;-.27,-5.73,;-.75,-7.19,;-2.71,-4.48,;-3.47,-5.81,;-2.69,-7.14,;-5,-5.82,;-5.78,-4.48,;-5.01,-3.14,;-3.47,-3.14,;-2.7,-1.81,;-7.32,-4.48,;-8.87,-4.54,;-7.36,-2.94,;-7.27,-6.02,)|
Show InChI InChI=1S/C13H12Cl2F3N3/c1-3-4-11-7(2)21(20-19-11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3
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322n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214673
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-5-hydroxy...)
Show SMILES CCCc1nnn(c1CO)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(3.18,-26.58,;1.93,-25.67,;2.1,-24.14,;.85,-23.23,;.86,-21.69,;-.61,-21.21,;-1.51,-22.46,;-.61,-23.7,;-1.09,-25.17,;-.06,-26.31,;-3.05,-22.45,;-3.81,-23.79,;-3.04,-25.12,;-5.35,-23.79,;-6.12,-22.45,;-5.35,-21.12,;-3.81,-21.12,;-3.04,-19.79,;-7.66,-22.45,;-9.22,-22.52,;-7.7,-20.91,;-7.61,-23.99,)|
Show InChI InChI=1S/C13H12Cl2F3N3O/c1-2-3-10-11(6-22)21(20-19-10)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3
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387n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214657
PNG
(4-tert-butyl-1-(2,6-dichloro-4-(trifluoromethyl)ph...)
Show SMILES CC(C)(C)c1cn(nn1)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H12Cl2F3N3/c1-12(2,3)10-6-21(20-19-10)11-8(14)4-7(5-9(11)15)13(16,17)18/h4-6H,1-3H3
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390n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214672
PNG
(1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-propy...)
Show SMILES CCCc1cn(nn1)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C12H10Cl2F3N3/c1-2-3-8-6-20(19-18-8)11-9(13)4-7(5-10(11)14)12(15,16)17/h4-6H,2-3H2,1H3
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470n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-3


(Homo sapiens (Human))
BDBM50214666
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4-methyl-...)
Show SMILES CCCc1c(C)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(14.49,-9,;14.97,-7.54,;13.94,-6.39,;14.42,-4.93,;15.89,-4.45,;17.13,-5.36,;15.89,-2.91,;14.43,-2.43,;13.52,-3.68,;11.98,-3.68,;11.22,-5.01,;12,-6.34,;9.69,-5.01,;8.91,-3.67,;9.68,-2.34,;11.22,-2.34,;12,-1.01,;7.37,-3.68,;5.82,-3.74,;7.34,-2.14,;7.42,-5.21,)|
Show InChI InChI=1S/C13H12Cl2F3N3/c1-3-4-11-7(2)19-20-21(11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3
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539n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214667
PNG
(4-(3-chloropropyl)-1-(2,6-dichloro-4-(trifluoromet...)
Show SMILES FC(F)(F)c1cc(Cl)c(c(Cl)c1)-n1cc(CCCCl)nn1
Show InChI InChI=1S/C12H9Cl3F3N3/c13-3-1-2-8-6-21(20-19-8)11-9(14)4-7(5-10(11)15)12(16,17)18/h4-6H,1-3H2
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616n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214650
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4,5-dieth...)
Show SMILES CCc1nnn(c1CC)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(31.28,.4,;31.44,1.93,;30.2,2.84,;30.21,4.38,;28.74,4.86,;27.84,3.62,;28.73,2.37,;28.25,.9,;29.28,-.24,;26.3,3.62,;25.53,2.29,;26.31,.95,;24,2.28,;23.22,3.62,;23.99,4.95,;25.53,4.95,;26.31,6.28,;21.68,3.62,;20.13,3.55,;21.65,5.16,;21.73,2.08,)|
Show InChI InChI=1S/C13H12Cl2F3N3/c1-3-10-11(4-2)21(20-19-10)12-8(14)5-7(6-9(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3
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959n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214676
PNG
(4-butyl-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)...)
Show SMILES CCCCc1cn(nn1)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H12Cl2F3N3/c1-2-3-4-9-7-21(20-19-9)12-10(14)5-8(6-11(12)15)13(16,17)18/h5-7H,2-4H2,1H3
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1.01E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214662
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4-ethyl-5...)
Show SMILES CCc1nnn(c1C)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(2.91,.76,;3.08,2.29,;1.83,3.2,;1.84,4.74,;.37,5.22,;-.53,3.97,;.37,2.73,;-.11,1.26,;-2.07,3.98,;-2.83,2.64,;-2.06,1.31,;-4.37,2.64,;-5.14,3.98,;-4.37,5.31,;-2.83,5.31,;-2.06,6.64,;-6.68,3.98,;-8.24,3.91,;-6.72,5.52,;-6.63,2.44,)|
Show InChI InChI=1S/C12H10Cl2F3N3/c1-3-10-6(2)20(19-18-10)11-8(13)4-7(5-9(11)14)12(15,16)17/h4-5H,3H2,1-2H3
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1.06E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214656
PNG
(3-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-pheny...)
Show SMILES Nc1c(nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)-c1ccccc1 |(21.59,-21.92,;22.07,-20.46,;23.53,-19.99,;23.54,-18.45,;22.07,-17.97,;21.17,-19.21,;19.3,-19.21,;18.54,-20.54,;19.32,-21.87,;17.01,-20.55,;16.23,-19.21,;17,-17.87,;18.54,-17.88,;19.32,-16.54,;14.69,-19.21,;13.14,-19.16,;14.66,-17.67,;14.74,-20.75,;24.78,-20.9,;24.6,-22.42,;25.84,-23.33,;27.25,-22.71,;27.42,-21.17,;26.17,-20.27,)|
Show InChI InChI=1S/C15H9Cl2F3N4/c16-10-6-9(15(18,19)20)7-11(17)13(10)24-14(21)12(22-23-24)8-4-2-1-3-5-8/h1-7H,21H2
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1.16E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214642
PNG
(1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-penty...)
Show SMILES CCCCCc1cn(nn1)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C14H14Cl2F3N3/c1-2-3-4-5-10-8-22(21-20-10)13-11(15)6-9(7-12(13)16)14(17,18)19/h6-8H,2-5H2,1H3
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1.39E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214675
PNG
(4-cyclohexyl-1-(2,6-dichloro-4-(trifluoromethyl)ph...)
Show SMILES FC(F)(F)c1cc(Cl)c(c(Cl)c1)-n1cc(nn1)C1CCCCC1
Show InChI InChI=1S/C15H14Cl2F3N3/c16-11-6-10(15(18,19)20)7-12(17)14(11)23-8-13(21-22-23)9-4-2-1-3-5-9/h6-9H,1-5H2
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1.50E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214668
PNG
(1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-hexyl...)
Show SMILES CCCCCCc1cn(nn1)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C15H16Cl2F3N3/c1-2-3-4-5-6-11-9-23(22-21-11)14-12(16)7-10(8-13(14)17)15(18,19)20/h7-9H,2-6H2,1H3
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1.98E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-3


(Homo sapiens (Human))
BDBM50214651
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4-hydroxy...)
Show SMILES CCCc1c(CO)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(13.9,-27.78,;14.38,-26.31,;13.35,-25.17,;13.83,-23.7,;15.3,-23.23,;16.54,-24.14,;16.38,-25.67,;15.3,-21.69,;13.83,-21.21,;12.93,-22.46,;11.39,-22.45,;10.63,-23.79,;11.41,-25.12,;9.1,-23.79,;8.32,-22.45,;9.09,-21.12,;10.63,-21.12,;11.41,-19.79,;6.78,-22.45,;5.23,-22.52,;6.75,-20.91,;6.83,-23.99,)|
Show InChI InChI=1S/C13H12Cl2F3N3O/c1-2-3-11-10(6-22)19-20-21(11)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3
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3.45E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214643
PNG
(4-butyl-1-(2,6-dichloro-4-ethynylphenyl)-1H-1,2,3-...)
Show SMILES CCCCc1cn(nn1)-c1c(Cl)cc(cc1Cl)C#C
Show InChI InChI=1S/C14H13Cl2N3/c1-3-5-6-11-9-19(18-17-11)14-12(15)7-10(4-2)8-13(14)16/h2,7-9H,3,5-6H2,1H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214647
PNG
(1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-ethyl...)
Show SMILES CCc1c(C)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(12.11,-8.8,;11.08,-7.65,;11.56,-6.19,;13.03,-5.71,;14.27,-6.62,;13.03,-4.17,;11.56,-3.69,;10.66,-4.94,;9.12,-4.94,;8.36,-6.27,;9.14,-7.6,;6.83,-6.27,;6.05,-4.93,;6.82,-3.6,;8.36,-3.6,;9.13,-2.27,;4.51,-4.94,;2.96,-5,;4.47,-3.4,;4.56,-6.47,)|
Show InChI InChI=1S/C12H10Cl2F3N3/c1-3-10-6(2)18-19-20(10)11-8(13)4-7(5-9(11)14)12(15,16)17/h4-5H,3H2,1-2H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214660
PNG
(1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-pheny...)
Show SMILES FC(F)(F)c1cc(Cl)c(c(Cl)c1)-n1nncc1-c1ccccc1 |(-5.33,-18.72,;-3.77,-18.65,;-3.81,-17.11,;-3.73,-20.19,;-2.23,-18.65,;-1.46,-19.99,;.08,-19.98,;.85,-21.31,;.84,-18.65,;.08,-17.32,;.85,-15.98,;-1.46,-17.31,;3.04,-18.65,;3.94,-17.41,;5.41,-17.89,;5.4,-19.43,;3.94,-19.9,;3.46,-21.36,;1.95,-21.67,;1.47,-23.13,;2.5,-24.28,;4.01,-23.96,;4.49,-22.5,)|
Show InChI InChI=1S/C15H8Cl2F3N3/c16-11-6-10(15(18,19)20)7-12(17)14(11)23-13(8-21-22-23)9-4-2-1-3-5-9/h1-8H
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214652
PNG
(1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-pheny...)
Show SMILES FC(F)(F)c1cc(Cl)c(c(Cl)c1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C15H8Cl2F3N3/c16-11-6-10(15(18,19)20)7-12(17)14(11)23-8-13(21-22-23)9-4-2-1-3-5-9/h1-8H
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214646
PNG
(1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-hexyl...)
Show SMILES CCCCCCc1cnnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(31.33,-5.04,;30.3,-3.89,;30.78,-2.43,;29.76,-1.28,;30.24,.18,;29.21,1.33,;29.69,2.8,;31.16,3.27,;31.16,4.81,;29.69,5.29,;28.79,4.04,;27.25,4.05,;26.49,2.71,;27.27,1.38,;24.96,2.71,;24.18,4.05,;24.95,5.38,;26.49,5.38,;27.26,6.71,;22.64,4.05,;21.09,3.98,;22.6,5.59,;22.69,2.51,)|
Show InChI InChI=1S/C15H16Cl2F3N3/c1-2-3-4-5-6-11-9-21-22-23(11)14-12(16)7-10(8-13(14)17)15(18,19)20/h7-9H,2-6H2,1H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214645
PNG
(1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-penty...)
Show SMILES CCCCCc1cnnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(-.29,-4.51,;.19,-3.05,;-.84,-1.9,;-.36,-.44,;-1.39,.71,;-.91,2.17,;.56,2.65,;.56,4.19,;-.9,4.67,;-1.81,3.42,;-3.35,3.42,;-4.11,2.09,;-3.33,.76,;-5.64,2.09,;-6.42,3.43,;-5.65,4.76,;-4.11,4.76,;-3.33,6.09,;-7.96,3.43,;-9.51,3.36,;-7.99,4.97,;-7.91,1.89,)|
Show InChI InChI=1S/C14H14Cl2F3N3/c1-2-3-4-5-10-8-20-21-22(10)13-11(15)6-9(7-12(13)16)14(17,18)19/h6-8H,2-5H2,1H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214654
PNG
(1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-propy...)
Show SMILES CCCc1cnnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(29.84,-36.63,;30.32,-35.17,;29.29,-34.02,;29.77,-32.55,;31.23,-32.08,;31.24,-30.54,;29.77,-30.06,;28.87,-31.31,;27.33,-31.3,;26.57,-32.64,;27.34,-33.97,;25.03,-32.64,;24.26,-31.3,;25.03,-29.97,;26.57,-29.97,;27.34,-28.64,;22.72,-31.3,;21.16,-31.37,;22.68,-29.76,;22.77,-32.84,)|
Show InChI InChI=1S/C12H10Cl2F3N3/c1-2-3-8-6-18-19-20(8)11-9(13)4-7(5-10(11)14)12(15,16)17/h4-6H,2-3H2,1H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214674
PNG
(4-butyl-1-(2,6-dichlorophenyl)-1H-1,2,3-triazole |...)
Show SMILES CCCCc1cn(nn1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C12H13Cl2N3/c1-2-3-5-9-8-17(16-15-9)12-10(13)6-4-7-11(12)14/h4,6-8H,2-3,5H2,1H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214671
PNG
(5-butyl-1-(2,6-dichlorophenyl)-1H-1,2,3-triazole |...)
Show SMILES CCCCc1cnnn1-c1c(Cl)cccc1Cl |(14.05,-14.53,;13.03,-13.38,;13.51,-11.92,;12.48,-10.77,;12.96,-9.31,;14.43,-8.83,;14.43,-7.29,;12.96,-6.81,;12.06,-8.06,;10.52,-8.06,;9.76,-9.39,;10.54,-10.72,;8.23,-9.39,;7.45,-8.05,;8.22,-6.72,;9.76,-6.72,;10.53,-5.39,)|
Show InChI InChI=1S/C12H13Cl2N3/c1-2-3-5-9-8-15-16-17(9)12-10(13)6-4-7-11(12)14/h4,6-8H,2-3,5H2,1H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214677
PNG
(1-(4-bromophenyl)-5-butyl-1H-1,2,3-triazole | CHEM...)
Show SMILES CCCCc1cnnn1-c1ccc(Br)cc1
Show InChI InChI=1S/C12H14BrN3/c1-2-3-4-12-9-14-15-16(12)11-7-5-10(13)6-8-11/h5-9H,2-4H2,1H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214658
PNG
(5-butyl-1-(4-(trifluoromethyl)phenyl)-1H-1,2,3-tri...)
Show SMILES CCCCc1cnnn1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H14F3N3/c1-2-3-4-12-9-17-18-19(12)11-7-5-10(6-8-11)13(14,15)16/h5-9H,2-4H2,1H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214663
PNG
(1-(4-bromophenyl)-4-butyl-1H-1,2,3-triazole | CHEM...)
Show SMILES CCCCc1cn(nn1)-c1ccc(Br)cc1
Show InChI InChI=1S/C12H14BrN3/c1-2-3-4-11-9-16(15-14-11)12-7-5-10(13)6-8-12/h5-9H,2-4H2,1H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214661
PNG
(4-chloromethyl-1-(2,6-dichloro-4-trifluoromethylph...)
Show SMILES CCCc1c(CCl)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(.33,-36.35,;.81,-34.89,;-.22,-33.74,;.26,-32.27,;1.72,-31.8,;2.97,-32.71,;2.8,-34.24,;1.73,-30.26,;.26,-29.78,;-.64,-31.03,;-2.18,-31.02,;-2.94,-32.36,;-2.17,-33.69,;-4.48,-32.36,;-5.25,-31.02,;-4.48,-29.69,;-2.94,-29.69,;-2.17,-28.36,;-6.79,-31.02,;-8.35,-31.09,;-6.83,-29.48,;-6.74,-32.56,)|
Show InChI InChI=1S/C13H11Cl3F3N3/c1-2-3-11-10(6-14)20-21-22(11)12-8(15)4-7(5-9(12)16)13(17,18)19/h4-5H,2-3,6H2,1H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214651
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4-hydroxy...)
Show SMILES CCCc1c(CO)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(13.9,-27.78,;14.38,-26.31,;13.35,-25.17,;13.83,-23.7,;15.3,-23.23,;16.54,-24.14,;16.38,-25.67,;15.3,-21.69,;13.83,-21.21,;12.93,-22.46,;11.39,-22.45,;10.63,-23.79,;11.41,-25.12,;9.1,-23.79,;8.32,-22.45,;9.09,-21.12,;10.63,-21.12,;11.41,-19.79,;6.78,-22.45,;5.23,-22.52,;6.75,-20.91,;6.83,-23.99,)|
Show InChI InChI=1S/C13H12Cl2F3N3O/c1-2-3-11-10(6-22)19-20-21(11)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214653
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4-ethyl-5...)
Show SMILES CCCc1c(CC)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(14.13,-18.44,;14.61,-16.98,;13.58,-15.83,;14.06,-14.37,;15.53,-13.9,;16.77,-14.81,;16.61,-16.34,;15.54,-12.36,;14.07,-11.88,;13.17,-13.12,;11.63,-13.12,;10.87,-14.45,;11.64,-15.78,;9.33,-14.46,;8.55,-13.12,;9.33,-11.78,;10.86,-11.79,;11.64,-10.45,;7.01,-13.12,;5.46,-13.19,;6.98,-11.58,;7.06,-14.66,)|
Show InChI InChI=1S/C14H14Cl2F3N3/c1-3-5-12-11(4-2)20-21-22(12)13-9(15)6-8(7-10(13)16)14(17,18)19/h6-7H,3-5H2,1-2H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214648
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4,5-di-np...)
Show SMILES CCCc1nnn(c1CCC)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(32.47,-16.5,;31.22,-15.59,;31.39,-14.06,;30.14,-13.15,;30.15,-11.61,;28.68,-11.13,;27.78,-12.38,;28.68,-13.62,;28.2,-15.09,;29.23,-16.23,;28.75,-17.7,;26.24,-12.37,;25.48,-13.71,;26.25,-15.04,;23.94,-13.71,;23.17,-12.37,;23.94,-11.04,;25.48,-11.04,;26.25,-9.71,;21.63,-12.37,;20.07,-12.44,;21.59,-10.83,;21.68,-13.91,)|
Show InChI InChI=1S/C15H16Cl2F3N3/c1-3-5-12-13(6-4-2)23(22-21-12)14-10(16)7-9(8-11(14)17)15(18,19)20/h7-8H,3-6H2,1-2H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214665
PNG
(1-(2,6-dibromo-4-trifluoromethylphenyl)-5-methyl-4...)
Show SMILES CCCc1nnn(c1C)-c1c(Br)cc(cc1Br)C(F)(F)F |(32.3,-8.5,;31.05,-7.59,;31.22,-6.06,;29.97,-5.15,;29.98,-3.61,;28.51,-3.13,;27.61,-4.38,;28.51,-5.63,;28.03,-7.09,;26.07,-4.38,;25.31,-5.71,;26.08,-7.04,;23.77,-5.71,;23,-4.37,;23.77,-3.04,;25.31,-3.04,;26.08,-1.71,;21.46,-4.38,;19.9,-4.44,;21.42,-2.84,;21.51,-5.91,)|
Show InChI InChI=1S/C13H12Br2F3N3/c1-3-4-11-7(2)21(20-19-11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214670
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-5-ethyl-4...)
Show SMILES CCCc1nnn(c1CC)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(3.56,-17.92,;2.31,-17.01,;2.48,-15.48,;1.23,-14.57,;1.24,-13.03,;-.23,-12.55,;-1.13,-13.8,;-.23,-15.05,;-.71,-16.51,;.32,-17.66,;-2.67,-13.8,;-3.43,-15.13,;-2.66,-16.46,;-4.97,-15.13,;-5.74,-13.79,;-4.97,-12.46,;-3.43,-12.46,;-2.66,-11.13,;-7.28,-13.79,;-8.84,-13.86,;-7.32,-12.25,;-7.23,-15.33,)|
Show InChI InChI=1S/C14H14Cl2F3N3/c1-3-5-11-12(4-2)22(21-20-11)13-9(15)6-8(7-10(13)16)14(17,18)19/h6-7H,3-5H2,1-2H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214666
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4-methyl-...)
Show SMILES CCCc1c(C)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(14.49,-9,;14.97,-7.54,;13.94,-6.39,;14.42,-4.93,;15.89,-4.45,;17.13,-5.36,;15.89,-2.91,;14.43,-2.43,;13.52,-3.68,;11.98,-3.68,;11.22,-5.01,;12,-6.34,;9.69,-5.01,;8.91,-3.67,;9.68,-2.34,;11.22,-2.34,;12,-1.01,;7.37,-3.68,;5.82,-3.74,;7.34,-2.14,;7.42,-5.21,)|
Show InChI InChI=1S/C13H12Cl2F3N3/c1-3-4-11-7(2)19-20-21(11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214678
PNG
(1-(4-bromo-2,6-dichlorophenyl)-5-butyl-1H-1,2,3-tr...)
Show SMILES CCCCc1cnnn1-c1c(Cl)cc(Br)cc1Cl |(29.73,-46.95,;28.7,-45.8,;29.18,-44.34,;28.15,-43.19,;28.63,-41.72,;30.1,-41.25,;30.1,-39.71,;28.64,-39.23,;27.73,-40.48,;26.19,-40.47,;25.43,-41.81,;26.21,-43.14,;23.9,-41.81,;23.12,-40.47,;21.58,-40.47,;23.89,-39.14,;25.43,-39.14,;26.21,-37.81,)|
Show InChI InChI=1S/C12H12BrCl2N3/c1-2-3-4-9-7-16-17-18(9)12-10(14)5-8(13)6-11(12)15/h5-7H,2-4H2,1H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214655
PNG
(1-(4-bromo-2,6-dichlorophenyl)-4-butyl-1H-1,2,3-tr...)
Show SMILES CCCCc1cn(nn1)-c1c(Cl)cc(Br)cc1Cl
Show InChI InChI=1S/C12H12BrCl2N3/c1-2-3-4-9-7-18(17-16-9)12-10(14)5-8(13)6-11(12)15/h5-7H,2-4H2,1H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214669
PNG
(5-butyl-1-(2,4,6-trichlorophenyl)-1H-1,2,3-triazol...)
Show SMILES CCCCc1cnnn1-c1c(Cl)cc(Cl)cc1Cl |(.47,-48.22,;-.55,-47.07,;-.07,-45.61,;-1.1,-44.46,;-.62,-43,;.85,-42.53,;.85,-40.99,;-.62,-40.51,;-1.52,-41.75,;-3.06,-41.75,;-3.82,-43.08,;-3.04,-44.41,;-5.35,-43.09,;-6.13,-41.75,;-7.67,-41.75,;-5.36,-40.41,;-3.82,-40.42,;-3.05,-39.08,)|
Show InChI InChI=1S/C12H12Cl3N3/c1-2-3-4-9-7-16-17-18(9)12-10(14)5-8(13)6-11(12)15/h5-7H,2-4H2,1H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214644
PNG
(4-butyl-1-(2,4,6-trichlorophenyl)-1H-1,2,3-triazol...)
Show SMILES CCCCc1cn(nn1)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C12H12Cl3N3/c1-2-3-4-9-7-18(17-16-9)12-10(14)5-8(13)6-11(12)15/h5-7H,2-4H2,1H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214649
PNG
(5-butyl-1-(4-ethynylphenyl)-1H-1,2,3-triazole | CH...)
Show SMILES CCCCc1cnnn1-c1ccc(cc1)C#C
Show InChI InChI=1S/C14H15N3/c1-3-5-6-14-11-15-16-17(14)13-9-7-12(4-2)8-10-13/h2,7-11H,3,5-6H2,1H3
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>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair