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Compile Data Set for Download or QSAR

Found 64 hits of ic50 for UniProtKB: P18507   
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-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50290077
PNG
(CHEMBL73416 | N-[2-(4-Chloro-phenyl)-imidazo[1,2-a...)
Show SMILES CCCC(=O)N(C)Cc1c(nc2ccccn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro functional inhibitory potency for prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)


Bioorg Med Chem Lett 7: 2277-2282 (1997)


Article DOI: 10.1016/S0960-894X(97)00404-6
BindingDB Entry DOI: 10.7270/Q2BK1CB0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50290077
PNG
(CHEMBL73416 | N-[2-(4-Chloro-phenyl)-imidazo[1,2-a...)
Show SMILES CCCC(=O)N(C)Cc1c(nc2ccccn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETB receptors)


Bioorg Med Chem Lett 7: 2277-2282 (1997)


Article DOI: 10.1016/S0960-894X(97)00404-6
BindingDB Entry DOI: 10.7270/Q2BK1CB0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50483961
PNG
(CHEMBL1795561)
Show SMILES Br.OC(=O)CCCn1nc(ccc1=N)-c1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H20N4O5/c22-20-11-10-19(23-24(20)12-2-5-21(26)27)16-6-8-18(9-7-16)30-14-15-3-1-4-17(13-15)25(28)29/h1,3-4,6-11,13,22H,2,5,12,14H2,(H,26,27)
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n/an/a 3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABA A receptor alpha1beta2gamma2S expressed in HEK293 cells assessed as inhibition of GABA-induced current ...


Bioorg Med Chem Lett 21: 4252-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.067
BindingDB Entry DOI: 10.7270/Q2QR5101
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50483959
PNG
(CHEMBL1795560)
Show SMILES Br.COc1cccc(COc2ccc(cc2)-c2ccc(=N)n(CCCC(O)=O)n2)c1
Show InChI InChI=1S/C22H23N3O4/c1-28-19-5-2-4-16(14-19)15-29-18-9-7-17(8-10-18)20-11-12-21(23)25(24-20)13-3-6-22(26)27/h2,4-5,7-12,14,23H,3,6,13,15H2,1H3,(H,26,27)
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n/an/a 7n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABA A receptor alpha1beta2gamma2S expressed in HEK293 cells assessed as inhibition of GABA-induced current ...


Bioorg Med Chem Lett 21: 4252-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.067
BindingDB Entry DOI: 10.7270/Q2QR5101
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50537125
PNG
(CHEMBL1851667)
Show SMILES OC(=O)CCCn1nc(ccc1=N)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H21N3O3/c22-20-13-12-19(23-24(20)14-4-7-21(25)26)17-8-10-18(11-9-17)27-15-16-5-2-1-3-6-16/h1-3,5-6,8-13,22H,4,7,14-15H2,(H,25,26)
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n/an/a 11n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...


J Med Chem 62: 2798-2813 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00131
BindingDB Entry DOI: 10.7270/Q2D2225V
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50483958
PNG
(CHEMBL1795348)
Show SMILES Br.OC(=O)CCCn1nc(ccc1=N)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H21N3O3/c22-20-13-12-19(23-24(20)14-4-7-21(25)26)17-8-10-18(11-9-17)27-15-16-5-2-1-3-6-16/h1-3,5-6,8-13,22H,4,7,14-15H2,(H,25,26)
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n/an/a 11n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABA A receptor alpha1beta2gamma2S expressed in HEK293 cells assessed as inhibition of GABA-induced current ...


Bioorg Med Chem Lett 21: 4252-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.067
BindingDB Entry DOI: 10.7270/Q2QR5101
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378769
PNG
(CHEMBL1204074)
Show SMILES On1ncc(C2CCNCC2)c1-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c24-23-20(19(14-22-23)16-9-11-21-12-10-16)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2
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n/an/a 24n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...


J Med Chem 62: 2798-2813 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00131
BindingDB Entry DOI: 10.7270/Q2D2225V
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378769
PNG
(CHEMBL1204074)
Show SMILES On1ncc(C2CCNCC2)c1-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c24-23-20(19(14-22-23)16-9-11-21-12-10-16)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2
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n/an/a 24n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50483960
PNG
(CHEMBL1795562)
Show SMILES Br.OC(=O)CCCn1nc(ccc1=N)-c1ccc(OCC#C)cc1
Show InChI InChI=1S/C17H17N3O3/c1-2-12-23-14-7-5-13(6-8-14)15-9-10-16(18)20(19-15)11-3-4-17(21)22/h1,5-10,18H,3-4,11-12H2,(H,21,22)
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University College London

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABA A receptor alpha1beta2gamma2S expressed in HEK293 cells assessed as inhibition of GABA-induced current ...


Bioorg Med Chem Lett 21: 4252-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.067
BindingDB Entry DOI: 10.7270/Q2QR5101
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro functional inhibitory potency for prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)


Bioorg Med Chem Lett 7: 2277-2282 (1997)


Article DOI: 10.1016/S0960-894X(97)00404-6
BindingDB Entry DOI: 10.7270/Q2BK1CB0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50520683
PNG
(CHEMBL4476621)
Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)
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n/an/a 75n/an/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Displacement of [3H]muscimol from recombinant human GABAalpha1beta2gamma2 measured after 120 mins by scintillation counting method


Eur J Med Chem 159: 324-338 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.067
BindingDB Entry DOI: 10.7270/Q2VM4GND
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50208721
PNG
(4-(biphenyl-3-yl)-5-(piperidin-4-yl)isoxazol-3-ol ...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H20N2O2/c23-20-18(19(24-22-20)15-9-11-21-12-10-15)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-8,13,15,21H,9-12H2,(H,22,23)
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n/an/a 78n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378770
PNG
(CHEMBL1202335)
Show SMILES On1ncc(C2CCNCC2)c1-c1ccccc1
Show InChI InChI=1S/C14H17N3O/c18-17-14(12-4-2-1-3-5-12)13(10-16-17)11-6-8-15-9-7-11/h1-5,10-11,15,18H,6-9H2
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n/an/a 150n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378760
PNG
(CHEMBL1202340)
Show SMILES On1cc(C2CCNCC2)c(Cc2ccc3ccccc3c2)n1
Show InChI InChI=1S/C19H21N3O/c23-22-13-18(16-7-9-20-10-8-16)19(21-22)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-6,11,13,16,20,23H,7-10,12H2
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n/an/a 170n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378763
PNG
(CHEMBL1204077)
Show SMILES On1cc(C2CCNCC2)c(n1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c24-23-14-19(16-9-11-21-12-10-16)20(22-23)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2
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n/an/a 210n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA-A receptor expressed in tsA201 cells assessed as inhibition of GABA-induced effect after 30 mins...


J Med Chem 56: 6536-40 (2013)


Article DOI: 10.1021/jm4006466
BindingDB Entry DOI: 10.7270/Q2K35XKM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378763
PNG
(CHEMBL1204077)
Show SMILES On1cc(C2CCNCC2)c(n1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c24-23-14-19(16-9-11-21-12-10-16)20(22-23)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2
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n/an/a 210n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...


J Med Chem 62: 2798-2813 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00131
BindingDB Entry DOI: 10.7270/Q2D2225V
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378763
PNG
(CHEMBL1204077)
Show SMILES On1cc(C2CCNCC2)c(n1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c24-23-14-19(16-9-11-21-12-10-16)20(22-23)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2
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n/an/a 210n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50493007
PNG
(CHEMBL2420450)
Show SMILES On1cc(C2CCNCC2)c(n1)-c1cn(Cc2ccccc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C24H25N5O/c30-29-16-21(19-11-13-25-14-12-19)23(27-29)22-17-28(15-18-7-3-1-4-8-18)24(26-22)20-9-5-2-6-10-20/h1-10,16-17,19,25,30H,11-15H2
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA-A receptor expressed in tsA201 cells assessed as inhibition of GABA-induced effect after 30 mins...


J Med Chem 56: 6536-40 (2013)


Article DOI: 10.1021/jm4006466
BindingDB Entry DOI: 10.7270/Q2K35XKM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50493007
PNG
(CHEMBL2420450)
Show SMILES On1cc(C2CCNCC2)c(n1)-c1cn(Cc2ccccc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C24H25N5O/c30-29-16-21(19-11-13-25-14-12-19)23(27-29)22-17-28(15-18-7-3-1-4-8-18)24(26-22)20-9-5-2-6-10-20/h1-10,16-17,19,25,30H,11-15H2
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n/an/a 214n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA-A receptor expressed in tsA201 cells assessed as inhibition of GABA-induced effect after 30 mins...


J Med Chem 56: 6536-40 (2013)


Article DOI: 10.1021/jm4006466
BindingDB Entry DOI: 10.7270/Q2K35XKM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50001572
PNG
((gabazine)4-[6-Imino-3-(4-methoxy-phenyl)-6H-pyrid...)
Show SMILES COc1ccc(cc1)-c1ccc(=N)n(CCCC(O)=O)n1
Show InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)
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n/an/a 240n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA-A receptor expressed in tsA201 cells assessed as inhibition of GABA-induced effect after 30 mins...


J Med Chem 56: 6536-40 (2013)


Article DOI: 10.1021/jm4006466
BindingDB Entry DOI: 10.7270/Q2K35XKM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50001572
PNG
((gabazine)4-[6-Imino-3-(4-methoxy-phenyl)-6H-pyrid...)
Show SMILES COc1ccc(cc1)-c1ccc(=N)n(CCCC(O)=O)n1
Show InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)
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n/an/a 240n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...


J Med Chem 62: 2798-2813 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00131
BindingDB Entry DOI: 10.7270/Q2D2225V
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50001572
PNG
((gabazine)4-[6-Imino-3-(4-methoxy-phenyl)-6H-pyrid...)
Show SMILES COc1ccc(cc1)-c1ccc(=N)n(CCCC(O)=O)n1
Show InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)
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n/an/a 349n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABA A receptor alpha1beta2gamma2S expressed in HEK293 cells assessed as inhibition of GABA-induced current ...


Bioorg Med Chem Lett 21: 4252-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.067
BindingDB Entry DOI: 10.7270/Q2QR5101
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378771
PNG
(CHEMBL1204073)
Show SMILES On1ncc(C2CCNCC2)c1Cc1ccc2ccccc2c1Br
Show InChI InChI=1S/C19H20BrN3O/c20-19-15(6-5-13-3-1-2-4-16(13)19)11-18-17(12-22-23(18)24)14-7-9-21-10-8-14/h1-6,12,14,21,24H,7-11H2
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n/an/a 480n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50493006
PNG
(CHEMBL2420454)
Show SMILES On1ncc(C2CCNCC2)c1-c1c[nH]c(n1)-c1ccccc1
Show InChI InChI=1S/C17H19N5O/c23-22-16(14(10-20-22)12-6-8-18-9-7-12)15-11-19-17(21-15)13-4-2-1-3-5-13/h1-5,10-12,18,23H,6-9H2,(H,19,21)
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n/an/a 690n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA-A receptor expressed in tsA201 cells assessed as inhibition of GABA-induced effect after 30 mins...


J Med Chem 56: 6536-40 (2013)


Article DOI: 10.1021/jm4006466
BindingDB Entry DOI: 10.7270/Q2K35XKM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50493006
PNG
(CHEMBL2420454)
Show SMILES On1ncc(C2CCNCC2)c1-c1c[nH]c(n1)-c1ccccc1
Show InChI InChI=1S/C17H19N5O/c23-22-16(14(10-20-22)12-6-8-18-9-7-12)15-11-19-17(21-15)13-4-2-1-3-5-13/h1-5,10-12,18,23H,6-9H2,(H,19,21)
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n/an/a 692n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA-A receptor expressed in tsA201 cells assessed as inhibition of GABA-induced effect after 30 mins...


J Med Chem 56: 6536-40 (2013)


Article DOI: 10.1021/jm4006466
BindingDB Entry DOI: 10.7270/Q2K35XKM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50493003
PNG
(CHEMBL2420455)
Show SMILES On1ncc(C2CCNCC2)c1-c1cn(Cc2ccccc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C24H25N5O/c30-29-23(21(15-26-29)19-11-13-25-14-12-19)22-17-28(16-18-7-3-1-4-8-18)24(27-22)20-9-5-2-6-10-20/h1-10,15,17,19,25,30H,11-14,16H2
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n/an/a 780n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA-A receptor expressed in tsA201 cells assessed as inhibition of GABA-induced effect after 30 mins...


J Med Chem 56: 6536-40 (2013)


Article DOI: 10.1021/jm4006466
BindingDB Entry DOI: 10.7270/Q2K35XKM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378772
PNG
(CHEMBL1204072)
Show SMILES On1ncc(C2CCNCC2)c1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C19H21N3O/c23-22-19(18(13-21-22)16-7-9-20-10-8-16)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-6,11,13,16,20,23H,7-10,12H2
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n/an/a 790n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588336
PNG
(CHEMBL5186739)
Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1)c1cccs1
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n/an/a 794n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50493003
PNG
(CHEMBL2420455)
Show SMILES On1ncc(C2CCNCC2)c1-c1cn(Cc2ccccc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C24H25N5O/c30-29-23(21(15-26-29)19-11-13-25-14-12-19)22-17-28(16-18-7-3-1-4-8-18)24(27-22)20-9-5-2-6-10-20/h1-10,15,17,19,25,30H,11-14,16H2
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n/an/a 794n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA-A receptor expressed in tsA201 cells assessed as inhibition of GABA-induced effect after 30 mins...


J Med Chem 56: 6536-40 (2013)


Article DOI: 10.1021/jm4006466
BindingDB Entry DOI: 10.7270/Q2K35XKM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378762
PNG
(CHEMBL1202339)
Show SMILES On1cc(C2CCNCC2)c(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c24-23-14-19(17-10-12-21-13-11-17)20(22-23)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,14,17,21,24H,10-13H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378764
PNG
(CHEMBL1202338)
Show SMILES Cc1ccc(cc1)-c1nn(O)cc1C1CCNCC1
Show InChI InChI=1S/C15H19N3O/c1-11-2-4-13(5-3-11)15-14(10-18(19)17-15)12-6-8-16-9-7-12/h2-5,10,12,16,19H,6-9H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50095533
PNG
(4-(naphthalen-2-ylmethyl)-5-(piperidin-4-yl)isoxaz...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C19H20N2O2/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378767
PNG
(CHEMBL1202337)
Show SMILES On1cc(C2CCNCC2)c(n1)-c1ccccc1
Show InChI InChI=1S/C14H17N3O/c18-17-10-13(11-6-8-15-9-7-11)14(16-17)12-4-2-1-3-5-12/h1-5,10-11,15,18H,6-9H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378765
PNG
(CHEMBL1204076)
Show SMILES Cc1cccc(c1)-c1nn(O)cc1C1CCNCC1
Show InChI InChI=1S/C15H19N3O/c1-11-3-2-4-13(9-11)15-14(10-18(19)17-15)12-5-7-16-8-6-12/h2-4,9-10,12,16,19H,5-8H2,1H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588339
PNG
(CHEMBL5187612)
Show SMILES Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
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n/an/a 2.19E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378766
PNG
(CHEMBL1204075)
Show SMILES Cc1ccccc1-c1nn(O)cc1C1CCNCC1
Show InChI InChI=1S/C15H19N3O/c1-11-4-2-3-5-13(11)15-14(10-18(19)17-15)12-6-8-16-9-7-12/h2-5,10,12,16,19H,6-9H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378759
PNG
(CHEMBL1204079)
Show SMILES On1nc(c(C2CCNCC2)c1Cc1ccc2ccccc2c1)-c1ccccc1
Show InChI InChI=1S/C25H25N3O/c29-28-23(17-18-10-11-19-6-4-5-9-22(19)16-18)24(20-12-14-26-15-13-20)25(27-28)21-7-2-1-3-8-21/h1-11,16,20,26,29H,12-15,17H2
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50537127
PNG
(CHEMBL4589563)
Show SMILES OC(=O)CCCn1nc(ccc1=N)-c1cccc(O)c1
Show InChI InChI=1S/C14H15N3O3/c15-13-7-6-12(10-3-1-4-11(18)9-10)16-17(13)8-2-5-14(19)20/h1,3-4,6-7,9,15,18H,2,5,8H2,(H,19,20)
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...


J Med Chem 62: 2798-2813 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00131
BindingDB Entry DOI: 10.7270/Q2D2225V
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50537127
PNG
(CHEMBL4589563)
Show SMILES OC(=O)CCCn1nc(ccc1=N)-c1cccc(O)c1
Show InChI InChI=1S/C14H15N3O3/c15-13-7-6-12(10-3-1-4-11(18)9-10)16-17(13)8-2-5-14(19)20/h1,3-4,6-7,9,15,18H,2,5,8H2,(H,19,20)
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n/an/a 3.98E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...


J Med Chem 62: 2798-2813 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00131
BindingDB Entry DOI: 10.7270/Q2D2225V
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50537128
PNG
(CHEMBL4586737)
Show SMILES OC(=O)CCCn1nc(ccc1=N)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H14N4O4/c15-13-7-6-12(16-17(13)8-2-5-14(19)20)10-3-1-4-11(9-10)18(21)22/h1,3-4,6-7,9,15H,2,5,8H2,(H,19,20)
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n/an/a 4.37E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...


J Med Chem 62: 2798-2813 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00131
BindingDB Entry DOI: 10.7270/Q2D2225V
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50537128
PNG
(CHEMBL4586737)
Show SMILES OC(=O)CCCn1nc(ccc1=N)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H14N4O4/c15-13-7-6-12(16-17(13)8-2-5-14(19)20)10-3-1-4-11(9-10)18(21)22/h1,3-4,6-7,9,15H,2,5,8H2,(H,19,20)
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...


J Med Chem 62: 2798-2813 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00131
BindingDB Entry DOI: 10.7270/Q2D2225V
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588337
PNG
(CHEMBL5177970)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
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n/an/a 5.01E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378761
PNG
(CHEMBL1204078)
Show SMILES On1cc(C2CCNCC2)c(Cc2ccccc2)n1
Show InChI InChI=1S/C15H19N3O/c19-18-11-14(13-6-8-16-9-7-13)15(17-18)10-12-4-2-1-3-5-12/h1-5,11,13,16,19H,6-10H2
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n/an/a 8.30E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50493004
PNG
(CHEMBL2420449)
Show SMILES On1cc(C2CCNCC2)c(n1)-c1c[nH]c(n1)-c1ccccc1
Show InChI InChI=1S/C17H19N5O/c23-22-11-14(12-6-8-18-9-7-12)16(21-22)15-10-19-17(20-15)13-4-2-1-3-5-13/h1-5,10-12,18,23H,6-9H2,(H,19,20)
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n/an/a 9.70E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA-A receptor expressed in tsA201 cells assessed as inhibition of GABA-induced effect after 30 mins...


J Med Chem 56: 6536-40 (2013)


Article DOI: 10.1021/jm4006466
BindingDB Entry DOI: 10.7270/Q2K35XKM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50493004
PNG
(CHEMBL2420449)
Show SMILES On1cc(C2CCNCC2)c(n1)-c1c[nH]c(n1)-c1ccccc1
Show InChI InChI=1S/C17H19N5O/c23-22-11-14(12-6-8-18-9-7-12)16(21-22)15-10-19-17(20-15)13-4-2-1-3-5-13/h1-5,10-12,18,23H,6-9H2,(H,19,20)
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n/an/a 9.77E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA-A receptor expressed in tsA201 cells assessed as inhibition of GABA-induced effect after 30 mins...


J Med Chem 56: 6536-40 (2013)


Article DOI: 10.1021/jm4006466
BindingDB Entry DOI: 10.7270/Q2K35XKM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588340
PNG
(CHEMBL5204910)
Show SMILES Cc1ccc(cc1)C(=O)N1CCC2(CCNCC2)CC1
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50537129
PNG
(CHEMBL4515872)
Show SMILES OC(=O)CCCn1nc(ccc1=N)-c1ccc(O)cc1
Show InChI InChI=1S/C14H15N3O3/c15-13-8-7-12(10-3-5-11(18)6-4-10)16-17(13)9-1-2-14(19)20/h3-8,15,18H,1-2,9H2,(H,19,20)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...


J Med Chem 62: 2798-2813 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00131
BindingDB Entry DOI: 10.7270/Q2D2225V
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50537129
PNG
(CHEMBL4515872)
Show SMILES OC(=O)CCCn1nc(ccc1=N)-c1ccc(O)cc1
Show InChI InChI=1S/C14H15N3O3/c15-13-8-7-12(10-3-5-11(18)6-4-10)16-17(13)9-1-2-14(19)20/h3-8,15,18H,1-2,9H2,(H,19,20)
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n/an/a 1.15E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...


J Med Chem 62: 2798-2813 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00131
BindingDB Entry DOI: 10.7270/Q2D2225V
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50493005
PNG
(CHEMBL2420447)
Show SMILES On1cc(C2CCNCC2)c(n1)-c1c[nH]cn1
Show InChI InChI=1S/C11H15N5O/c17-16-6-9(8-1-3-12-4-2-8)11(15-16)10-5-13-7-14-10/h5-8,12,17H,1-4H2,(H,13,14)
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA-A receptor expressed in tsA201 cells assessed as inhibition of GABA-induced effect after 30 mins...


J Med Chem 56: 6536-40 (2013)


Article DOI: 10.1021/jm4006466
BindingDB Entry DOI: 10.7270/Q2K35XKM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50537124
PNG
(CHEMBL4570040)
Show SMILES Nc1cccc(c1)-c1ccc(=N)n(CCCC(O)=O)n1
Show InChI InChI=1S/C14H16N4O2/c15-11-4-1-3-10(9-11)12-6-7-13(16)18(17-12)8-2-5-14(19)20/h1,3-4,6-7,9,16H,2,5,8,15H2,(H,19,20)
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...


J Med Chem 62: 2798-2813 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00131
BindingDB Entry DOI: 10.7270/Q2D2225V
More data for this
Ligand-Target Pair
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