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Compile Data Set for Download or QSAR

Found 302 hits Enz. Inhib. hit(s) with Target = 'GABA receptor alpha-1/beta-2/gamma-2 subunit'   
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
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50055963
PNG
(1-[(3R,5R,10S,13S,17S)-3-(4-Acetyl-phenylethynyl)-...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C#Cc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C31H40O3/c1-20(32)23-7-5-22(6-8-23)13-16-31(34)18-17-29(3)24(19-31)9-10-25-27-12-11-26(21(2)33)30(27,4)15-14-28(25)29/h5-8,24-28,34H,9-12,14-15,17-19H2,1-4H3/t24-,25+,26-,27+,28+,29+,30-,31-/m1/s1
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n/an/an/an/a 6.60n/an/an/an/a



CoCensys Inc

Curated by ChEMBL


Assay Description
Steroid potentiation of 5% GABA responses in Xenopus oocytes expressing human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 73-84 (1997)


Article DOI: 10.1021/jm9605344
BindingDB Entry DOI: 10.7270/Q2CN731X
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50454531
PNG
(CHEMBL3138433)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(CC[C@@H]4[C@H]3CC[C@]12C)C#Cc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C30H38O3/c1-19(31)22-6-4-21(5-7-22)12-16-30(33)17-14-24-23(18-30)8-9-26-25(24)13-15-29(3)27(20(2)32)10-11-28(26)29/h4-7,23-28,33H,8-11,13-15,17-18H2,1-3H3/t23-,24+,25-,26-,27-,28+,29-,30-/m1/s1
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n/an/an/an/a 8.20n/an/an/an/a



CoCensys Inc

Curated by ChEMBL


Assay Description
Steroid potentiation of 5% GABA responses in Xenopus oocytes expressing human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 73-84 (1997)


Article DOI: 10.1021/jm9605344
BindingDB Entry DOI: 10.7270/Q2CN731X
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50065229
PNG
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3
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n/an/an/an/a 9n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1beta2gamma2 GABA receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem 18: 8374-82 (2010)


Article DOI: 10.1016/j.bmc.2010.09.058
BindingDB Entry DOI: 10.7270/Q2FB536X
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50454527
PNG
(CHEMBL3138291)
Show SMILES CN(C)c1ccc(cc1)C#C[C@@]1(O)CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C31H43NO2/c1-21(33)26-12-13-27-25-11-8-23-20-31(34,17-14-22-6-9-24(10-7-22)32(4)5)19-18-29(23,2)28(25)15-16-30(26,27)3/h6-7,9-10,23,25-28,34H,8,11-13,15-16,18-20H2,1-5H3/t23-,25+,26-,27+,28+,29+,30-,31-/m1/s1
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n/an/an/an/a 18n/an/an/an/a



CoCensys Inc

Curated by ChEMBL


Assay Description
Steroid potentiation of 5% GABA responses in Xenopus oocytes expressing human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 73-84 (1997)


Article DOI: 10.1021/jm9605344
BindingDB Entry DOI: 10.7270/Q2CN731X
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50454526
PNG
(CHEMBL3138293)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C#Cc1ccc(C=O)cc1
Show InChI InChI=1S/C30H38O3/c1-20(32)25-10-11-26-24-9-8-23-18-30(33,15-12-21-4-6-22(19-31)7-5-21)17-16-28(23,2)27(24)13-14-29(25,26)3/h4-7,19,23-27,33H,8-11,13-14,16-18H2,1-3H3/t23-,24+,25-,26+,27+,28+,29-,30-/m1/s1
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n/an/an/an/a 31n/an/an/an/a



CoCensys Inc

Curated by ChEMBL


Assay Description
Steroid potentiation of 5% GABA responses in Xenopus oocytes expressing human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 73-84 (1997)


Article DOI: 10.1021/jm9605344
BindingDB Entry DOI: 10.7270/Q2CN731X
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50215531
PNG
(2-chloro-alpha-[[(4-chlorophenyl)amino]methylene]-...)
Show SMILES CC(C)NC(=O)C(C=Nc1ccc(Cl)cc1)C(=O)c1ccccc1Cl
Show InChI InChI=1/C19H18Cl2N2O2/c1-12(2)23-19(25)16(11-22-14-9-7-13(20)8-10-14)18(24)15-5-3-4-6-17(15)21/h3-12,16H,1-2H3,(H,23,25)/b22-11+
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n/an/an/an/a 34n/an/an/an/a



University of California Irvine

Curated by ChEMBL


Assay Description
Activity at human GABAA alpha-1-beta-2-gamma-2L expressed in Xenopus oocytes assessed as potentiation of GABA currents


J Med Chem 50: 3369-79 (2007)


Article DOI: 10.1021/jm070083v
BindingDB Entry DOI: 10.7270/Q2K35TB7
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50282235
PNG
(CHEMBL4174166)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](C[C@]12C)OC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
Show InChI InChI=1S/C28H33F4N3O4/c1-12(36)16-6-7-17-15-5-4-13-10-14(37)8-9-27(13,2)20(15)18(11-28(16,17)3)39-26(38)19-21(29)23(31)25(34-35-33)24(32)22(19)30/h13-18,20,37H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,20+,27-,28+/m0/s1
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n/an/an/an/a 70n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induce...


Eur J Med Chem 136: 334-347 (2017)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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n/an/an/an/a 85n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1beta2gamma2 GABA receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem 18: 8374-82 (2010)


Article DOI: 10.1016/j.bmc.2010.09.058
BindingDB Entry DOI: 10.7270/Q2FB536X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50258256
PNG
(CHEMBL3427532)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nccn1
Show InChI InChI=1/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3/t15-,16+,17-,18-,19+,20-,22-,23+/s2
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n/an/an/an/a 125n/an/an/an/a



Sage Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med...


J Med Chem 60: 7810-7819 (2017)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50055919
PNG
(1-((3R,5S,10S,13S,17S)-3-Azidomethyl-3-hydroxy-10,...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CN=[N+]=[N-])CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C22H35N3O2/c1-14(26)17-6-7-18-16-5-4-15-12-22(27,13-24-25-23)11-10-20(15,2)19(16)8-9-21(17,18)3/h15-19,27H,4-13H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+,22+/m0/s1
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n/an/an/an/a 150n/an/an/an/a



CoCensys Inc

Curated by ChEMBL


Assay Description
Potentiation of GABA-activated currents in Xenopus oocytes expressing cloned human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 61-72 (1997)


Article DOI: 10.1021/jm960021x
BindingDB Entry DOI: 10.7270/Q2M0463J
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50191342
PNG
(3alpha-hydroxy-5alpha-pregnan-20-one | CHEMBL20753...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/s2
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n/an/an/an/a 160n/an/an/an/a



CoCensys Inc

Curated by ChEMBL


Assay Description
Potentiation of GABA-activated currents in Xenopus oocytes expressing cloned human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 61-72 (1997)


Article DOI: 10.1021/jm960021x
BindingDB Entry DOI: 10.7270/Q2M0463J
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50282234
PNG
(CHEMBL4163464)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C3(C[C@]12C)N=N3
Show InChI InChI=1S/C21H32N2O2/c1-12(24)16-6-7-17-15-5-4-13-10-14(25)8-9-19(13,2)18(15)21(22-23-21)11-20(16,17)3/h13-18,25H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,19-,20+/m0/s1
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n/an/an/an/a 200n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA chlori...


Eur J Med Chem 136: 334-347 (2017)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50258254
PNG
(CHEMBL4073780)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1ccc(n1)C#N
Show InChI InChI=1/C25H35N3O2/c1-24(30)10-7-18-16(13-24)3-4-20-19(18)8-11-25(2)21(20)5-6-22(25)23(29)15-28-12-9-17(14-26)27-28/h9,12,16,18-22,30H,3-8,10-11,13,15H2,1-2H3/t16-,18+,19-,20-,21+,22-,24-,25+/s2
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n/an/an/an/a 225n/an/an/an/a



Sage Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med...


J Med Chem 60: 7810-7819 (2017)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50191342
PNG
(3alpha-hydroxy-5alpha-pregnan-20-one | CHEMBL20753...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/s2
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n/an/an/an/a 237n/an/an/an/a



Sage Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med...


J Med Chem 60: 7810-7819 (2017)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50207314
PNG
(CHEMBL3971200)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H18FN3O/c1-12-4-9-16-20-18(13-5-7-14(19)8-6-13)15(22(16)11-12)10-17(23)21(2)3/h4-9,11H,10H2,1-3H3
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n/an/an/an/a 238n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GABA-A receptor alpha1beta2gamma2 expressed in HEK293 cells assessed as potentiation of of GABA i...


Eur J Med Chem 124: 456-467 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.059
BindingDB Entry DOI: 10.7270/Q22B911Z
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(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/an/an/a 240n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GABA-A receptor alpha1beta2gamma2 expressed in HEK293 cells assessed as potentiation of of GABA i...


Eur J Med Chem 124: 456-467 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.059
BindingDB Entry DOI: 10.7270/Q22B911Z
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50369240
PNG
(GANAXOLONE)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20+,21-,22+/m0/s1
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CoCensys Inc

Curated by ChEMBL


Assay Description
Potentiation of GABA-activated currents in Xenopus oocytes expressing cloned human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 61-72 (1997)


Article DOI: 10.1021/jm960021x
BindingDB Entry DOI: 10.7270/Q2M0463J
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM86521
PNG
(CAS_5719 | NSC_5719 | Zaleplon)
Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N
Show InChI InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3
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n/an/an/an/a 290n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Modulation of human GABA-A alpha1beta2gamma2 expressed in xenopus oocytes assessed as potentiation of GABA-evoked chloride currents


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50258252
PNG
(CHEMBL4073679)
Show SMILES Cc1cnn(CC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@]23C)c1
Show InChI InChI=1/C25H38N2O2/c1-16-13-26-27(14-16)15-23(28)22-7-6-21-20-5-4-17-12-24(2,29)10-8-18(17)19(20)9-11-25(21,22)3/h13-14,17-22,29H,4-12,15H2,1-3H3/t17-,18+,19-,20-,21+,22-,24-,25+/s2
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Sage Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med...


J Med Chem 60: 7810-7819 (2017)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50055953
PNG
(1-[(3R,5R,10S,13S,17S)-3-Hydroxy-3-(2-hydroxy-phen...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C#Cc1ccccc1O
Show InChI InChI=1S/C29H38O3/c1-19(30)23-10-11-24-22-9-8-21-18-29(32,15-12-20-6-4-5-7-26(20)31)17-16-27(21,2)25(22)13-14-28(23,24)3/h4-7,21-25,31-32H,8-11,13-14,16-18H2,1-3H3/t21-,22+,23-,24+,25+,27+,28-,29-/m1/s1
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n/an/an/an/a 340n/an/an/an/a



CoCensys Inc

Curated by ChEMBL


Assay Description
Steroid potentiation of 5% GABA responses in Xenopus oocytes expressing human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 73-84 (1997)


Article DOI: 10.1021/jm9605344
BindingDB Entry DOI: 10.7270/Q2CN731X
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50258216
PNG
(CHEMBL4105630)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc(cn1)C#N
Show InChI InChI=1/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/s2
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n/an/an/an/a 375n/an/an/an/a



Sage Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med...


J Med Chem 60: 7810-7819 (2017)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50332375
PNG
(4-Amino-8-(5-(azetidine-1-carbonyl)pyridin-3-yl)-N...)
Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1cncc(c1)C(=O)N1CCC1
Show InChI InChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)
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n/an/an/an/a 389n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1beta2gamma2 GABA receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem 18: 8374-82 (2010)


Article DOI: 10.1016/j.bmc.2010.09.058
BindingDB Entry DOI: 10.7270/Q2FB536X
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50454499
PNG
(CHEMBL3137990)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F
Show InChI InChI=1S/C22H33F3O2/c1-13(26)16-6-7-17-15-5-4-14-12-21(27,22(23,24)25)11-10-19(14,2)18(15)8-9-20(16,17)3/h14-18,27H,4-12H2,1-3H3/t14-,15-,16+,17-,18-,19-,20+,21+/m0/s1
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n/an/an/an/a 390n/an/an/an/a



CoCensys Inc

Curated by ChEMBL


Assay Description
Potentiation of GABA-activated currents in Xenopus oocytes expressing cloned human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 61-72 (1997)


Article DOI: 10.1021/jm960021x
BindingDB Entry DOI: 10.7270/Q2M0463J
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50207312
PNG
(CHEMBL3954951)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(F)cn12)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15F2N3O/c1-21(2)16(23)9-14-17(11-3-5-12(18)6-4-11)20-15-8-7-13(19)10-22(14)15/h3-8,10H,9H2,1-2H3
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n/an/an/an/a 408n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GABA-A receptor alpha1beta2gamma2 expressed in HEK293 cells assessed as potentiation of of GABA i...


Eur J Med Chem 124: 456-467 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.059
BindingDB Entry DOI: 10.7270/Q22B911Z
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50164570
PNG
((3R,5S,8S,9S,10S,13S,14S,17S)-17-Acetyl-3-hydroxy-...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Show InChI InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1
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n/an/an/an/a 500n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induce...


Eur J Med Chem 136: 334-347 (2017)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50282235
PNG
(CHEMBL4174166)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](C[C@]12C)OC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
Show InChI InChI=1S/C28H33F4N3O4/c1-12(36)16-6-7-17-15-5-4-13-10-14(37)8-9-27(13,2)20(15)18(11-28(16,17)3)39-26(38)19-21(29)23(31)25(34-35-33)24(32)22(19)30/h13-18,20,37H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,20+,27-,28+/m0/s1
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n/an/an/an/a 500n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA chlori...


Eur J Med Chem 136: 334-347 (2017)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50409548
PNG
(CHEMBL29790)
Show SMILES Cc1cccc(c1O)C(C)(C)C
Show InChI InChI=1S/C11H16O/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7,12H,1-4H3
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n/an/an/an/a 501n/an/an/an/a



University of Chicago Medical Center

Curated by ChEMBL


Assay Description
Potentiation of GABA responses at human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2


J Med Chem 45: 3210-21 (2002)


Article DOI: 10.1021/jm010461a
BindingDB Entry DOI: 10.7270/Q2FN17DV
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50052792
PNG
(CHEBI:7035 | MUSCIMOL | Muscimol)
Show SMILES NCc1cc(O)no1
Show InChI InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
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n/an/an/an/a 537n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50052792
PNG
(CHEBI:7035 | MUSCIMOL | Muscimol)
Show SMILES NCc1cc(O)no1
Show InChI InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
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n/an/an/an/a 540n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50258217
PNG
(CHEMBL3427530)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cccn1
Show InChI InChI=1/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3/t16-,17+,18-,19-,20+,21-,23-,24+/s2
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n/an/an/an/a 979n/an/an/an/a



Sage Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med...


J Med Chem 60: 7810-7819 (2017)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50454528
PNG
(CHEMBL3138292)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C#Cc1ccc(O)cc1
Show InChI InChI=1S/C29H38O3/c1-19(30)24-10-11-25-23-9-6-21-18-29(32,15-12-20-4-7-22(31)8-5-20)17-16-27(21,2)26(23)13-14-28(24,25)3/h4-5,7-8,21,23-26,31-32H,6,9-11,13-14,16-18H2,1-3H3/t21-,23+,24-,25+,26+,27+,28-,29-/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



CoCensys Inc

Curated by ChEMBL


Assay Description
Steroid potentiation of 5% GABA responses in Xenopus oocytes expressing human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 73-84 (1997)


Article DOI: 10.1021/jm9605344
BindingDB Entry DOI: 10.7270/Q2CN731X
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50454529
PNG
(CHEMBL3138315)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C#Cc1ccc(N)cc1
Show InChI InChI=1S/C29H39NO2/c1-19(31)24-10-11-25-23-9-6-21-18-29(32,15-12-20-4-7-22(30)8-5-20)17-16-27(21,2)26(23)13-14-28(24,25)3/h4-5,7-8,21,23-26,32H,6,9-11,13-14,16-18,30H2,1-3H3/t21-,23+,24-,25+,26+,27+,28-,29-/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



CoCensys Inc

Curated by ChEMBL


Assay Description
Steroid potentiation of 5% GABA responses in Xenopus oocytes expressing human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 73-84 (1997)


Article DOI: 10.1021/jm9605344
BindingDB Entry DOI: 10.7270/Q2CN731X
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50258229
PNG
(CHEMBL4103751)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc(cn1)C(F)(F)F
Show InChI InChI=1/C25H35F3N2O2/c1-23(32)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(31)14-30-13-16(12-29-30)25(26,27)28/h12-13,15,17-21,32H,3-11,14H2,1-2H3/t15-,17+,18-,19-,20+,21-,23-,24+/s2
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n/an/an/an/a 1.05E+3n/an/an/an/a



Sage Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med...


J Med Chem 60: 7810-7819 (2017)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50258239
PNG
(CHEMBL4091891)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc(cn1)[N+]([O-])=O
Show InChI InChI=1/C24H35N3O4/c1-23(29)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(28)14-26-13-16(12-25-26)27(30)31/h12-13,15,17-21,29H,3-11,14H2,1-2H3/t15-,17+,18-,19-,20+,21-,23-,24+/s2
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n/an/an/an/a 1.16E+3n/an/an/an/a



Sage Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med...


J Med Chem 60: 7810-7819 (2017)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50125935
PNG
((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/s2
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n/an/an/an/a 1.20E+3n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Ability to enhance currents from alpha-1-beta-2-gamma-2L-subunit of GABA receptor elicited by low concentrations of GABA


J Med Chem 46: 1257-65 (2003)


Article DOI: 10.1021/jm020465v
BindingDB Entry DOI: 10.7270/Q24J0FVZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50125936
PNG
(3-((R)-1-Phenyl-ethyl)-3H-imidazole-4-carboxylic a...)
Show SMILES C[C@H](c1ccccc1)n1cncc1C(=O)OCCC1(C)N=N1
Show InChI InChI=1S/C16H18N4O2/c1-12(13-6-4-3-5-7-13)20-11-17-10-14(20)15(21)22-9-8-16(2)18-19-16/h3-7,10-12H,8-9H2,1-2H3/t12-/m1/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-(125I)A-85380 binding to nicotinic acetylcholine receptor (nAChR) of rat brain


J Med Chem 46: 1257-65 (2003)


Article DOI: 10.1021/jm020465v
BindingDB Entry DOI: 10.7270/Q24J0FVZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50282234
PNG
(CHEMBL4163464)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C3(C[C@]12C)N=N3
Show InChI InChI=1S/C21H32N2O2/c1-12(24)16-6-7-17-15-5-4-13-10-14(25)8-9-19(13,2)18(15)21(22-23-21)11-20(16,17)3/h13-18,25H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,19-,20+/m0/s1
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n/an/an/an/a 1.23E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induce...


Eur J Med Chem 136: 334-347 (2017)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50207313
PNG
(CHEMBL3962969)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(F)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C18H18FN3O/c1-12-4-6-13(7-5-12)18-15(10-17(23)21(2)3)22-11-14(19)8-9-16(22)20-18/h4-9,11H,10H2,1-3H3
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n/an/an/an/a 1.27E+3n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GABA-A receptor alpha1beta2gamma2 expressed in HEK293 cells assessed as potentiation of of GABA i...


Eur J Med Chem 124: 456-467 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.059
BindingDB Entry DOI: 10.7270/Q22B911Z
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50258253
PNG
(CHEMBL4085062)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc(Cl)cn1
Show InChI InChI=1/C24H35ClN2O2/c1-23(29)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(28)14-27-13-16(25)12-26-27/h12-13,15,17-21,29H,3-11,14H2,1-2H3/t15-,17+,18-,19-,20+,21-,23-,24+/s2
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n/an/an/an/a 1.50E+3n/an/an/an/a



Sage Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med...


J Med Chem 60: 7810-7819 (2017)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50258249
PNG
(CHEMBL4080678)
Show SMILES Cc1cnnn1CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C
Show InChI InChI=1/C24H37N3O2/c1-15-13-25-26-27(15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3/t16-,17+,18-,19-,20+,21-,23-,24+/s2
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n/an/an/an/a 1.60E+3n/an/an/an/a



Sage Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med...


J Med Chem 60: 7810-7819 (2017)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50258255
PNG
(CHEMBL4062424)
Show SMILES Cc1cnn(CC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@]23C)n1
Show InChI InChI=1/C24H37N3O2/c1-15-13-25-27(26-15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3/t16-,17+,18-,19-,20+,21-,23-,24+/s2
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n/an/an/an/a 1.64E+3n/an/an/an/a



Sage Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med...


J Med Chem 60: 7810-7819 (2017)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50258243
PNG
(CHEMBL4081622)
Show SMILES COc1cnn(CC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@]23C)c1
Show InChI InChI=1/C25H38N2O3/c1-24(29)10-8-18-16(12-24)4-5-20-19(18)9-11-25(2)21(20)6-7-22(25)23(28)15-27-14-17(30-3)13-26-27/h13-14,16,18-22,29H,4-12,15H2,1-3H3/t16-,18+,19-,20-,21+,22-,24-,25+/s2
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n/an/an/an/a 1.76E+3n/an/an/an/a



Sage Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med...


J Med Chem 60: 7810-7819 (2017)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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n/an/an/an/a 1.78E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50120861
PNG
(CHEMBL3616638)
Show SMILES CCCc1cc(NC(C)=O)c(O)c(c1)-c1ccc(OCC)c(CCC)c1
Show InChI InChI=1S/C22H29NO3/c1-5-8-16-12-19(22(25)20(13-16)23-15(4)24)17-10-11-21(26-7-3)18(14-17)9-6-2/h10-14,25H,5-9H2,1-4H3,(H,23,24)
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n/an/an/an/a 1.80E+3n/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Allosteric modulation of GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induc...


Bioorg Med Chem 23: 6757-62 (2015)


Article DOI: 10.1016/j.bmc.2015.08.034
BindingDB Entry DOI: 10.7270/Q2WQ05KM
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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n/an/an/an/a 1.80E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50058046
PNG
(CHEMBL526 | PROPOFOL | propofol)
Show SMILES CC(C)c1cccc(C(C)C)c1O
Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
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n/an/an/an/a 2.00E+3n/an/an/an/a



University of Chicago Medical Center

Curated by ChEMBL


Assay Description
Potentiation of GABA responses at human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2


J Med Chem 45: 3210-21 (2002)


Article DOI: 10.1021/jm010461a
BindingDB Entry DOI: 10.7270/Q2FN17DV
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50125936
PNG
(3-((R)-1-Phenyl-ethyl)-3H-imidazole-4-carboxylic a...)
Show SMILES C[C@H](c1ccccc1)n1cncc1C(=O)OCCC1(C)N=N1
Show InChI InChI=1S/C16H18N4O2/c1-12(13-6-4-3-5-7-13)20-11-17-10-14(20)15(21)22-9-8-16(2)18-19-16/h3-7,10-12H,8-9H2,1-2H3/t12-/m1/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Direct activation of Gamma-aminobutyric acid A receptor in the absence of GABA


J Med Chem 46: 1257-65 (2003)


Article DOI: 10.1021/jm020465v
BindingDB Entry DOI: 10.7270/Q24J0FVZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50164570
PNG
((3R,5S,8S,9S,10S,13S,14S,17S)-17-Acetyl-3-hydroxy-...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Show InChI InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1
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n/an/an/an/a 2.20E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from pregnant rats


Eur J Med Chem 136: 334-347 (2017)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50125935
PNG
((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/s2
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n/an/an/an/a 2.50E+3n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-(125I)A-85380 binding to nicotinic acetylcholine receptor (nAChR) of rat brain


J Med Chem 46: 1257-65 (2003)


Article DOI: 10.1021/jm020465v
BindingDB Entry DOI: 10.7270/Q24J0FVZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50409537
PNG
(CHEMBL109956)
Show SMILES CC(C)Cc1cccc(CC(C)C)c1O
Show InChI InChI=1S/C14H22O/c1-10(2)8-12-6-5-7-13(14(12)15)9-11(3)4/h5-7,10-11,15H,8-9H2,1-4H3
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n/an/an/an/a 2.51E+3n/an/an/an/a



University of Chicago Medical Center

Curated by ChEMBL


Assay Description
Potentiation of GABA responses at human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2


J Med Chem 45: 3210-21 (2002)


Article DOI: 10.1021/jm010461a
BindingDB Entry DOI: 10.7270/Q2FN17DV
More data for this
Ligand-Target Pair
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