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11 similar compounds to monomer 50214650

Compile data set for download or QSAR
Wt: 352.1
BDBM50214653
Wt: 324.1
BDBM50214654
Wt: 338.1
BDBM50214657
Wt: 338.1
BDBM50214659
Wt: 372.6
BDBM50214661
Wt: 324.1
BDBM50214662
Wt: 372.6
BDBM50214664
Wt: 338.1
BDBM50214666
Wt: 352.1
BDBM50214670
Wt: 324.1
BDBM50214647
Wt: 366.2
BDBM50214648

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50214653,50214654,50214657,50214659,50214661,50214662,50214664,50214666,50214670,50214647,50214648   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GABA receptor beta-3 subunit


(Homo sapiens)
BDBM50214664
PNG
(5-chloromethyl-1-(2,6-dichloro-4-trifluoromethylph...)
Show SMILES CCCc1nnn(c1CCl)-c1c(Cl)cc(cc1Cl)C(F)(F)F
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
GABA receptor beta-3 subunit


(Homo sapiens)
BDBM50214659
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-5-methyl-...)
Show SMILES CCCc1nnn(c1C)-c1c(Cl)cc(cc1Cl)C(F)(F)F
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
GABA receptor beta-3 subunit


(Homo sapiens)
BDBM50214647
PNG
(1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-ethyl...)
Show SMILES CCc1c(C)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F
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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7n/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
GABA receptor beta-3 subunit


(Homo sapiens)
BDBM50214662
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4-ethyl-5...)
Show SMILES CCc1nnn(c1C)-c1c(Cl)cc(cc1Cl)C(F)(F)F
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
GABA receptor beta-3 subunit


(Homo sapiens)
BDBM50214670
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-5-ethyl-4...)
Show SMILES CCCc1nnn(c1CC)-c1c(Cl)cc(cc1Cl)C(F)(F)F
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
GABA receptor alpha-2/beta-2/gamma-2 subunit


(Homo sapiens-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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39n/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
GABA receptor beta-3 subunit


(Homo sapiens)
BDBM50214653
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4-ethyl-5...)
Show SMILES CCCc1c(CC)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F
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
GABA receptor beta-3 subunit


(Homo sapiens)
BDBM50214661
PNG
(4-chloromethyl-1-(2,6-dichloro-4-trifluoromethylph...)
Show SMILES CCCc1c(CCl)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F
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
GABA receptor alpha-2/beta-2/gamma-2 subunit


(Homo sapiens-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
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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106n/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
GABA receptor beta-3 subunit


(Homo sapiens)
BDBM50214648
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4,5-di-np...)
Show SMILES CCCc1nnn(c1CCC)-c1c(Cl)cc(cc1Cl)C(F)(F)F
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
GABA receptor alpha-2/beta-2/gamma-2 subunit


(Homo sapiens-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
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
GABA receptor alpha-2/beta-2/gamma-2 subunit


(Homo sapiens-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
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
GABA receptor beta-3 subunit


(Homo sapiens)
BDBM50214666
PNG
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4-methyl-...)
Show SMILES CCCc1c(C)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F
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
GABA receptor alpha-2/beta-2/gamma-2 subunit


(Homo sapiens-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
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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>915n/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
GABA receptor alpha-2/beta-2/gamma-2 subunit


(Homo sapiens-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
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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>915n/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
GABA receptor alpha-2/beta-2/gamma-2 subunit


(Homo sapiens-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
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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>915n/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
GABA receptor alpha-2/beta-2/gamma-2 subunit


(Homo sapiens-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
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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>915n/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
GABA receptor alpha-2/beta-2/gamma-2 subunit


(Homo sapiens-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
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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>915n/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
GABA receptor alpha-2/beta-2/gamma-2 subunit


(Homo sapiens-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
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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>915n/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
GABA receptor alpha-2/beta-2/gamma-2 subunit


(Homo sapiens-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
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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>915n/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