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Compile Data Set for Download or QSAR

Found 11 hits of ec50 for UniProtKB: P18508   
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
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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n/an/an/an/a 870n/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha6beta3gamma2 expressed in HEK293 cells in presence of GABA by patch-clamp assay


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Rattus norvegicus (Rat))
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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n/an/an/an/a 2.01E+3n/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha1beta3gamma2 expressed in HEK293 cells in presence of GABA by patch-clamp assay


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50452383
PNG
(CHEMBL4218339)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |r,t:4|
Show InChI InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/an/an/a>2.40E+4n/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-flumazenil from rat GABA-A receptor alpha1beta2gamma2 expressed in HEK293 cells by electrophysiology assay


Bioorg Med Chem Lett 27: 5415-5419 (2017)


Article DOI: 10.1016/j.bmcl.2017.11.008
BindingDB Entry DOI: 10.7270/Q27D2XQ8
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50452383
PNG
(CHEMBL4218339)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |r,t:4|
Show InChI InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)/t16-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-flumazenil from rat GABA-A receptor alpha5beta3gamma2 expressed in HEK293 cells by electrophysiology assay


Bioorg Med Chem Lett 27: 5415-5419 (2017)


Article DOI: 10.1016/j.bmcl.2017.11.008
BindingDB Entry DOI: 10.7270/Q27D2XQ8
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Rattus norvegicus (Rat))
BDBM50452383
PNG
(CHEMBL4218339)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |r,t:4|
Show InChI InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/an/an/a>2.40E+4n/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-flumazenil from rat GABA-A receptor alpha3beta3gamma2 expressed in HEK293 cells by electrophysiology assay


Bioorg Med Chem Lett 27: 5415-5419 (2017)


Article DOI: 10.1016/j.bmcl.2017.11.008
BindingDB Entry DOI: 10.7270/Q27D2XQ8
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-3/gamma-2


(Rattus norvegicus (Rat))
BDBM50452383
PNG
(CHEMBL4218339)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |r,t:4|
Show InChI InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/an/an/a>2.40E+4n/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-flumazenil from rat GABA-A receptor alpha2beta3gamma2 expressed in HEK293 cells by electrophysiology assay


Bioorg Med Chem Lett 27: 5415-5419 (2017)


Article DOI: 10.1016/j.bmcl.2017.11.008
BindingDB Entry DOI: 10.7270/Q27D2XQ8
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
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>1.00E+5n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at rat GFP-fused GABA-A alpha1/beta2/gamma2 receptor expressed in human tsA201 cells at -60 mV holding potential by whole-cell volta...


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 alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
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>1.00E+5n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at rat GFP-fused GABA-A alpha1/beta2/gamma2 receptor expressed in human tsA201 cells at -60 mV holding potential by whole-cell volta...


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 alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
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>1.00E+5n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at rat GFP-fused GABA-A alpha1/beta2/gamma2 receptor expressed in human tsA201 cells at -60 mV holding potential by whole-cell volta...


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 alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
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>1.00E+5n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at rat GFP-fused GABA-A alpha1/beta2/gamma2 receptor expressed in human tsA201 cells at -60 mV holding potential by whole-cell volta...


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 alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
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>1.00E+5n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at rat GFP-fused GABA-A alpha1/beta2/gamma2 receptor expressed in human tsA201 cells at -60 mV holding potential by whole-cell volta...


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