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Compile Data Set for Download or QSAR

Found 14 hits of ec50 for UniProtKB: P63079   
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-4/beta-3


(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 60n/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha4beta3 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/delta


(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 100n/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha1beta3delta 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


(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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Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha1beta3 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-4/beta-3/delta


(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 150n/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha4beta3delta 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-6/beta-3


(RAT-Rattus norvegicus)
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 170n/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha6beta3 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/delta


(Rattus norvegicus (Rat))
BDBM50457445
PNG
(CHEMBL4212818)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2ccccn12)-c1cccs1
Show InChI InChI=1S/C18H12ClN3OS/c19-13-8-6-12(7-9-13)18(23)21-17-16(14-4-3-11-24-14)20-15-5-1-2-10-22(15)17/h1-11H,(H,21,23)
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n/an/an/an/a 860n/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha1beta3delta 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-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-4/beta-3/delta


(Rattus norvegicus (Rat))
BDBM50457445
PNG
(CHEMBL4212818)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2ccccn12)-c1cccs1
Show InChI InChI=1S/C18H12ClN3OS/c19-13-8-6-12(7-9-13)18(23)21-17-16(14-4-3-11-24-14)20-15-5-1-2-10-22(15)17/h1-11H,(H,21,23)
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n/an/an/an/a 970n/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha4beta3delta 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-6/beta-3


(RAT-Rattus norvegicus)
BDBM50457445
PNG
(CHEMBL4212818)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2ccccn12)-c1cccs1
Show InChI InChI=1S/C18H12ClN3OS/c19-13-8-6-12(7-9-13)18(23)21-17-16(14-4-3-11-24-14)20-15-5-1-2-10-22(15)17/h1-11H,(H,21,23)
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n/an/an/an/a 2.44E+3n/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha6beta3 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-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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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 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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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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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-3/gamma-2


(Mus musculus-Rattus norvegicus (Rat))
BDBM50229715
PNG
(CHEMBL4070615)
Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of C57BL/6 mouse GABAA receptor alpha1beta3gamma2 assessed as increase in GABA-induced current response at -60 mV hold...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair