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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit beta' AND taxid = 7370   
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


(Musca domestica)
BDBM50179909
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-methy...)
Show SMILES CC1CCc2nn(cc12)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C14H11Cl2F3N2/c1-7-2-3-12-9(7)6-21(20-12)13-10(15)4-8(5-11(13)16)14(17,18)19/h4-7H,2-3H2,1H3
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n/an/a 30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.012
BindingDB Entry DOI: 10.7270/Q2S46RH7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta


(Musca domestica)
BDBM50179898
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4,4,6,6...)
Show SMILES FC(F)(F)c1cc(Cl)c(c(Cl)c1)-n1cc2c(n1)C(F)(F)CC2(F)F
Show InChI InChI=1S/C13H5Cl2F7N2/c14-7-1-5(13(20,21)22)2-8(15)9(7)24-3-6-10(23-24)12(18,19)4-11(6,16)17/h1-3H,4H2
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n/an/a 74n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.012
BindingDB Entry DOI: 10.7270/Q2S46RH7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta


(Musca domestica)
BDBM50179896
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-2,4,5,6...)
Show SMILES FC(F)(F)c1cc(Cl)c(c(Cl)c1)-n1cc2CCCc2n1
Show InChI InChI=1S/C13H9Cl2F3N2/c14-9-4-8(13(16,17)18)5-10(15)12(9)20-6-7-2-1-3-11(7)19-20/h4-6H,1-3H2
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n/an/a 83n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.012
BindingDB Entry DOI: 10.7270/Q2S46RH7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta


(Musca domestica)
BDBM50179912
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4,4-dif...)
Show SMILES FC(F)(F)c1cc(Cl)c(c(Cl)c1)-n1cc2c(CCC2(F)F)n1
Show InChI InChI=1S/C13H7Cl2F5N2/c14-8-3-6(13(18,19)20)4-9(15)11(8)22-5-7-10(21-22)1-2-12(7,16)17/h3-5H,1-2H2
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n/an/a>100n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.012
BindingDB Entry DOI: 10.7270/Q2S46RH7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta


(Musca domestica)
BDBM50179903
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5,5-dif...)
Show SMILES CC1(O)c2cn(nc2CC1(F)F)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C14H9Cl2F5N2O/c1-12(24)7-5-23(22-10(7)4-13(12,17)18)11-8(15)2-6(3-9(11)16)14(19,20)21/h2-3,5,24H,4H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.012
BindingDB Entry DOI: 10.7270/Q2S46RH7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta


(Musca domestica)
BDBM50179908
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-fluor...)
Show SMILES COC1(C)C(F)Cc2nn(cc12)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C15H12Cl2F4N2O/c1-14(24-2)8-6-23(22-11(8)5-12(14)18)13-9(16)3-7(4-10(13)17)15(19,20)21/h3-4,6,12H,5H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.012
BindingDB Entry DOI: 10.7270/Q2S46RH7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta


(Musca domestica)
BDBM50179897
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5,5-dif...)
Show SMILES FC(F)(F)c1cc(Cl)c(c(Cl)c1)-n1cc2CC(F)(F)Cc2n1
Show InChI InChI=1S/C13H7Cl2F5N2/c14-8-1-7(13(18,19)20)2-9(15)11(8)22-5-6-3-12(16,17)4-10(6)21-22/h1-2,5H,3-4H2
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n/an/a 200n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.012
BindingDB Entry DOI: 10.7270/Q2S46RH7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta


(Musca domestica)
BDBM50179905
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5,6-dif...)
Show SMILES FC1Cc2cn(nc2C1F)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H7Cl2F5N2/c14-7-2-6(13(18,19)20)3-8(15)12(7)22-4-5-1-9(16)10(17)11(5)21-22/h2-4,9-10H,1H2
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n/an/a 200n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.012
BindingDB Entry DOI: 10.7270/Q2S46RH7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta


(Musca domestica)
BDBM50179907
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-6-fluor...)
Show SMILES FC1CCc2cn(nc12)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H8Cl2F4N2/c14-8-3-7(13(17,18)19)4-9(15)12(8)21-5-6-1-2-10(16)11(6)20-21/h3-5,10H,1-2H2
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n/an/a 290n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.012
BindingDB Entry DOI: 10.7270/Q2S46RH7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta


(Musca domestica)
BDBM50179911
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-fluor...)
Show SMILES Oc1c(F)cc2[nH]n(cc12)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H6Cl2F4N2O/c14-7-1-5(13(17,18)19)2-8(15)11(7)21-4-6-10(20-21)3-9(16)12(6)22/h1-4,20,22H
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n/an/a 320n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.012
BindingDB Entry DOI: 10.7270/Q2S46RH7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta


(Musca domestica)
BDBM50179906
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5,6-dif...)
Show SMILES CC1(O)C(F)C(F)c2nn(cc12)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C14H9Cl2F5N2O/c1-13(24)6-4-23(22-10(6)9(17)12(13)18)11-7(15)2-5(3-8(11)16)14(19,20)21/h2-4,9,12,24H,1H3
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n/an/a 350n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.012
BindingDB Entry DOI: 10.7270/Q2S46RH7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta


(Musca domestica)
BDBM50179904
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5,6-dih...)
Show SMILES Oc1ccc2[nH]n(cc12)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H7Cl2F3N2O/c14-8-3-6(13(16,17)18)4-9(15)12(8)20-5-7-10(19-20)1-2-11(7)21/h1-5,19,21H
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n/an/a 470n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.012
BindingDB Entry DOI: 10.7270/Q2S46RH7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta


(Musca domestica)
BDBM50179899
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-fluor...)
Show SMILES FC1CCc2nn(cc12)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H8Cl2F4N2/c14-8-3-6(13(17,18)19)4-9(15)12(8)21-5-7-10(16)1-2-11(7)20-21/h3-5,10H,1-2H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.012
BindingDB Entry DOI: 10.7270/Q2S46RH7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1/beta-2


(Homo sapiens (Human))
BDBM50462454
PNG
(CHEMBL4250786)
Show SMILES CCc1ccc(cc1)C(O)C(F)(F)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:13:15:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21|
Show InChI InChI=1S/C21H26F2O2/c1-2-13-3-5-17(6-4-13)18(24)21(22,23)19(25)20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,14-16,18,24H,2,7-12H2,1H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B1/B2 receptor expressed in HEK293/Cre-luc cells assessed as inhibition of forskolin-stimulated cAMP accumulation afte...


Bioorg Med Chem Lett 28: 2697-2700 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.003
BindingDB Entry DOI: 10.7270/Q20P12N7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1/beta-2


(Homo sapiens (Human))
BDBM50462446
PNG
(CHEMBL4238634)
Show SMILES CC(C)(C)OC(=O)NC(c1ccccc1)C(F)(F)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H23F2NO3/c1-23(2,3)30-22(29)27-20(17-10-5-4-6-11-17)24(25,26)21(28)19-14-13-16-9-7-8-12-18(16)15-19/h4-15,20H,1-3H3,(H,27,29)
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n/an/an/an/a 1.94E+4n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B1/B2 receptor expressed in HEK293/Cre-luc cells assessed as inhibition of forskolin-stimulated cAMP accumulation afte...


Bioorg Med Chem Lett 28: 2697-2700 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.003
BindingDB Entry DOI: 10.7270/Q20P12N7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1/beta-2


(Homo sapiens (Human))
BDBM50462453
PNG
(CHEMBL4244933)
Show SMILES OC(c1ccccc1)C(F)(F)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:11:13:16:20.18.19,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19|
Show InChI InChI=1S/C19H22F2O2/c20-19(21,16(22)15-4-2-1-3-5-15)17(23)18-9-12-6-13(10-18)8-14(7-12)11-18/h1-5,12-14,16,22H,6-11H2
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B1/B2 receptor expressed in HEK293/Cre-luc cells assessed as inhibition of forskolin-stimulated cAMP accumulation afte...


Bioorg Med Chem Lett 28: 2697-2700 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.003
BindingDB Entry DOI: 10.7270/Q20P12N7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1/beta-2


(Homo sapiens (Human))
BDBM50462452
PNG
(CHEMBL4244940)
Show SMILES CC(=O)c1ccc(cc1)C(O)C(F)(F)C(=O)c1ccccn1
Show InChI InChI=1S/C16H13F2NO3/c1-10(20)11-5-7-12(8-6-11)14(21)16(17,18)15(22)13-4-2-3-9-19-13/h2-9,14,21H,1H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B1/B2 receptor expressed in HEK293/Cre-luc cells assessed as inhibition of forskolin-stimulated cAMP accumulation afte...


Bioorg Med Chem Lett 28: 2697-2700 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.003
BindingDB Entry DOI: 10.7270/Q20P12N7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1/beta-2


(Homo sapiens (Human))
BDBM50462451
PNG
(CHEMBL4249205)
Show SMILES OC(CN1C(=O)c2ccccc2C1=O)C(F)(F)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:17:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
Show InChI InChI=1S/C22H23F2NO4/c23-22(24,20(29)21-8-12-5-13(9-21)7-14(6-12)10-21)17(26)11-25-18(27)15-3-1-2-4-16(15)19(25)28/h1-4,12-14,17,26H,5-11H2
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B1/B2 receptor expressed in HEK293/Cre-luc cells assessed as inhibition of forskolin-stimulated cAMP accumulation afte...


Bioorg Med Chem Lett 28: 2697-2700 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.003
BindingDB Entry DOI: 10.7270/Q20P12N7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1/beta-2


(Homo sapiens (Human))
BDBM50462450
PNG
(CHEMBL4238712)
Show SMILES FC(F)(C(NS(=O)(=O)c1ccccc1)c1ccccc1)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H19F2NO3S/c26-25(27,24(29)21-16-15-18-9-7-8-12-20(18)17-21)23(19-10-3-1-4-11-19)28-32(30,31)22-13-5-2-6-14-22/h1-17,23,28H
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n/an/an/an/a 3.27E+4n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B1/B2 receptor expressed in HEK293/Cre-luc cells assessed as inhibition of forskolin-stimulated cAMP accumulation afte...


Bioorg Med Chem Lett 28: 2697-2700 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.003
BindingDB Entry DOI: 10.7270/Q20P12N7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1/beta-2


(Homo sapiens (Human))
BDBM50462449
PNG
(CHEMBL4247210)
Show SMILES FC(F)(C(NS(=O)(=O)c1ccccc1)c1ccccc1)C(=O)C12CC3CC(CC(C3)C1)C2 |THB:27:26:23:29.28.30,27:28:25.26.31:23,30:28:25:31.22.23,30:22:25:29.27.28|
Show InChI InChI=1S/C25H27F2NO3S/c26-25(27,23(29)24-14-17-11-18(15-24)13-19(12-17)16-24)22(20-7-3-1-4-8-20)28-32(30,31)21-9-5-2-6-10-21/h1-10,17-19,22,28H,11-16H2
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B1/B2 receptor expressed in HEK293/Cre-luc cells assessed as inhibition of forskolin-stimulated cAMP accumulation afte...


Bioorg Med Chem Lett 28: 2697-2700 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.003
BindingDB Entry DOI: 10.7270/Q20P12N7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1/beta-2


(Homo sapiens (Human))
BDBM50462448
PNG
(CHEMBL4241188)
Show SMILES CC(C)(C)OC(=O)NC(c1ccccc1)C(F)(F)C(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C21H21F2NO5/c1-20(2,3)29-19(26)24-17(13-7-5-4-6-8-13)21(22,23)18(25)14-9-10-15-16(11-14)28-12-27-15/h4-11,17H,12H2,1-3H3,(H,24,26)
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B1/B2 receptor expressed in HEK293/Cre-luc cells assessed as inhibition of forskolin-stimulated cAMP accumulation afte...


Bioorg Med Chem Lett 28: 2697-2700 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.003
BindingDB Entry DOI: 10.7270/Q20P12N7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1/beta-2


(Homo sapiens (Human))
BDBM50462447
PNG
(CHEMBL4248377)
Show SMILES C\C=C\C=C\C(NCc1ccccc1)C(F)(F)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H23F2NO/c1-2-3-5-14-23(28-18-19-10-6-4-7-11-19)25(26,27)24(29)22-16-15-20-12-8-9-13-21(20)17-22/h2-17,23,28H,18H2,1H3/b3-2+,14-5+
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B1/B2 receptor expressed in HEK293/Cre-luc cells assessed as inhibition of forskolin-stimulated cAMP accumulation afte...


Bioorg Med Chem Lett 28: 2697-2700 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.003
BindingDB Entry DOI: 10.7270/Q20P12N7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1/beta-2


(Homo sapiens (Human))
BDBM50462445
PNG
(CHEMBL4246158)
Show SMILES OC(c1ccc(Cl)cc1)C(F)(F)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:12:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
Show InChI InChI=1S/C19H21ClF2O2/c20-15-3-1-14(2-4-15)16(23)19(21,22)17(24)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13,16,23H,5-10H2
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B1/B2 receptor expressed in HEK293/Cre-luc cells assessed as inhibition of forskolin-stimulated cAMP accumulation afte...


Bioorg Med Chem Lett 28: 2697-2700 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.003
BindingDB Entry DOI: 10.7270/Q20P12N7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1/beta-2


(Homo sapiens (Human))
BDBM50427613
PNG
(CHEMBL2322935)
Show SMILES OC(\C=C\c1ccccc1)C(F)(F)C(=O)C12CC3CC(CC(C3)C1)C2 |THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21,13:15:18:22.20.21|
Show InChI InChI=1S/C21H24F2O2/c22-21(23,18(24)7-6-14-4-2-1-3-5-14)19(25)20-11-15-8-16(12-20)10-17(9-15)13-20/h1-7,15-18,24H,8-13H2/b7-6+
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n/an/an/an/a 4.00E+4n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B1/B2 receptor expressed in HEK293/Cre-luc cells assessed as inhibition of forskolin-stimulated cAMP accumulation afte...


Bioorg Med Chem Lett 28: 2697-2700 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.003
BindingDB Entry DOI: 10.7270/Q20P12N7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1/beta-2


(Homo sapiens (Human))
BDBM50462444
PNG
(CHEMBL4244129)
Show SMILES FC(F)(C(NCc1ccccc1)c1ccccc1)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H21F2NO/c27-26(28,25(30)23-16-15-20-11-7-8-14-22(20)17-23)24(21-12-5-2-6-13-21)29-18-19-9-3-1-4-10-19/h1-17,24,29H,18H2
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n/an/an/an/a 9.10E+4n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B1/B2 receptor expressed in HEK293/Cre-luc cells assessed as inhibition of forskolin-stimulated cAMP accumulation afte...


Bioorg Med Chem Lett 28: 2697-2700 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.003
BindingDB Entry DOI: 10.7270/Q20P12N7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1/beta-2


(Homo sapiens (Human))
BDBM50462443
PNG
(CHEMBL4238315)
Show SMILES FC(F)(C(NCc1ccccc1)c1ccccc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18ClF2NO/c23-19-13-11-18(12-14-19)21(27)22(24,25)20(17-9-5-2-6-10-17)26-15-16-7-3-1-4-8-16/h1-14,20,26H,15H2
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n/an/an/an/a 5.74E+4n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B1/B2 receptor expressed in HEK293/Cre-luc cells assessed as inhibition of forskolin-stimulated cAMP accumulation afte...


Bioorg Med Chem Lett 28: 2697-2700 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.003
BindingDB Entry DOI: 10.7270/Q20P12N7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1/beta-2


(Homo sapiens (Human))
BDBM50462442
PNG
(CHEMBL4245403)
Show SMILES CC(C)CC(=O)C(F)(F)C(NC(=O)OC(C)(C)C)c1ccccc1
Show InChI InChI=1S/C18H25F2NO3/c1-12(2)11-14(22)18(19,20)15(13-9-7-6-8-10-13)21-16(23)24-17(3,4)5/h6-10,12,15H,11H2,1-5H3,(H,21,23)
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B1/B2 receptor expressed in HEK293/Cre-luc cells assessed as inhibition of forskolin-stimulated cAMP accumulation afte...


Bioorg Med Chem Lett 28: 2697-2700 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.003
BindingDB Entry DOI: 10.7270/Q20P12N7
More data for this
Ligand-Target Pair