Found 291 hits of ec50 for UniProtKB: P14867 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM26267
(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | PDB
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Article
PubMed
| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
University of Bern
Curated by ChEMBL
| Assay Description
Activity at rat wild type GABAA alpha1beta2gamma2 receptor expressed in xenopus oocytes assessed as GABA-elicited response by two electrode voltage c... |
J Biol Chem 282: 26316-25 (2007)
Article DOI: 10.1074/jbc.M702153200
BindingDB Entry DOI: 10.7270/Q2PR7VR8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50055963
(1-[(3R,5R,10S,13S,17S)-3-(4-Acetyl-phenylethynyl)-...)Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](O)(CC[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 | PDB
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| Article
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| n/a | n/a | n/a | n/a | 6.60 | n/a | n/a | n/a | n/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 | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50454531
(CHEMBL3138433)Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](O)(CC[C@]12[H])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 | PDB
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| CHEMBL
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| n/a | n/a | n/a | n/a | 8.20 | n/a | n/a | n/a | n/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 | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50065229
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)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 | PDB
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| n/a | n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/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 | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120809
(8-Benzyl-2-phenyl-6,7,8,9-tetrahydro-5H-1,3a,5,8-t...)Show SMILES O=c1[nH]c2CCN(Cc3ccccc3)Cc2c2nc(cn12)-c1ccccc1 Show InChI InChI=1S/C22H20N4O/c27-22-24-19-11-12-25(13-16-7-3-1-4-8-16)14-18(19)21-23-20(15-26(21)22)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,24,27) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50454527
(CHEMBL3138291)Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](O)(CC[C@]12C)C#Cc1ccc(cc1)N(C)C 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 | PDB
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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 | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120783
(8-Benzyl-2-(2-fluoro-phenyl)-6,7,8,9-tetrahydro-5H...)Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O Show InChI InChI=1S/C22H19FN4O/c23-18-9-5-4-8-16(18)20-14-27-21(24-20)17-13-26(11-10-19(17)25-22(27)28)12-15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,25,28) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120812
(8-Benzyl-2-(4-methoxy-phenyl)-6,7,8,9-tetrahydro-5...)Show SMILES COc1ccc(cc1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O Show InChI InChI=1S/C23H22N4O2/c1-29-18-9-7-17(8-10-18)21-15-27-22(24-21)19-14-26(12-11-20(19)25-23(27)28)13-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,25,28) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50454526
(CHEMBL3138293)Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](O)(CC[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 | PDB
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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 | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50215531
(2-chloro-alpha-[[(4-chlorophenyl)amino]methylene]-...)Show SMILES CC(C)NC(=O)C(C=Nc1ccc(Cl)cc1)C(=O)c1ccccc1Cl |w:7.6| Show InChI InChI=1S/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) | PDB
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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 | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120790
(8-Benzyl-2-(2,5-difluoro-phenyl)-6,7,8,9-tetrahydr...)Show SMILES Fc1ccc(F)c(c1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O Show InChI InChI=1S/C22H18F2N4O/c23-15-6-7-18(24)16(10-15)20-13-28-21(25-20)17-12-27(9-8-19(17)26-22(28)29)11-14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12H2,(H,26,29) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50001728
(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:6| Show InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3 | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120779
(8-(4-Fluoro-benzoyl)-2-(2-fluoro-phenyl)-6,7,8,9-t...)Show SMILES Fc1ccc(cc1)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F Show InChI InChI=1S/C22H16F2N4O2/c23-14-7-5-13(6-8-14)21(29)27-10-9-18-16(11-27)20-25-19(12-28(20)22(30)26-18)15-3-1-2-4-17(15)24/h1-8,12H,9-11H2,(H,26,30) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120775
(2-(2-Fluoro-phenyl)-8-pyridin-4-ylmethyl-6,7,8,9-t...)Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(Cc3ccncc3)CCc1[nH]c2=O Show InChI InChI=1S/C21H18FN5O/c22-17-4-2-1-3-15(17)19-13-27-20(24-19)16-12-26(10-7-18(16)25-21(27)28)11-14-5-8-23-9-6-14/h1-6,8-9,13H,7,10-12H2,(H,25,28) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120782
(2-(2-Fluoro-phenyl)-8-pyridin-3-ylmethyl-6,7,8,9-t...)Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(Cc3cccnc3)CCc1[nH]c2=O Show InChI InChI=1S/C21H18FN5O/c22-17-6-2-1-5-15(17)19-13-27-20(24-19)16-12-26(9-7-18(16)25-21(27)28)11-14-4-3-8-23-10-14/h1-6,8,10,13H,7,9,11-12H2,(H,25,28) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120777
(8-(3-Fluoro-benzoyl)-2-(2-fluoro-phenyl)-6,7,8,9-t...)Show SMILES Fc1cccc(c1)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F Show InChI InChI=1S/C22H16F2N4O2/c23-14-5-3-4-13(10-14)21(29)27-9-8-18-16(11-27)20-25-19(12-28(20)22(30)26-18)15-6-1-2-7-17(15)24/h1-7,10,12H,8-9,11H2,(H,26,30) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50282235
(CHEMBL4174166)Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](OC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C |r| 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 | PDB
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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)
Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120786
(8-Benzyl-2-(3-methoxy-phenyl)-6,7,8,9-tetrahydro-5...)Show SMILES COc1cccc(c1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O Show InChI InChI=1S/C23H22N4O2/c1-29-18-9-5-8-17(12-18)21-15-27-22(24-21)19-14-26(11-10-20(19)25-23(27)28)13-16-6-3-2-4-7-16/h2-9,12,15H,10-11,13-14H2,1H3,(H,25,28) | PDB
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| n/a | n/a | n/a | n/a | 81 | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50000766
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)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 | PDB
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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 Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120776
(8-Benzyl-2-(2,4-difluoro-phenyl)-6,7,8,9-tetrahydr...)Show SMILES Fc1ccc(-c2cn3c(n2)c2CN(Cc4ccccc4)CCc2[nH]c3=O)c(F)c1 Show InChI InChI=1S/C22H18F2N4O/c23-15-6-7-16(18(24)10-15)20-13-28-21(25-20)17-12-27(9-8-19(17)26-22(28)29)11-14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12H2,(H,26,29) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120773
(8-(2-Fluoro-benzoyl)-2-(2-fluoro-phenyl)-6,7,8,9-t...)Show SMILES Fc1ccccc1C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F Show InChI InChI=1S/C22H16F2N4O2/c23-16-7-3-1-5-13(16)19-12-28-20(25-19)15-11-27(10-9-18(15)26-22(28)30)21(29)14-6-2-4-8-17(14)24/h1-8,12H,9-11H2,(H,26,30) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120772
(2-(2-Fluoro-phenyl)-8-propionyl-6,7,8,9-tetrahydro...)Show SMILES CCC(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F Show InChI InChI=1S/C18H17FN4O2/c1-2-16(24)22-8-7-14-12(9-22)17-20-15(10-23(17)18(25)21-14)11-5-3-4-6-13(11)19/h3-6,10H,2,7-9H2,1H3,(H,21,25) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50000766
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)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 | PDB
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TBA
| Assay Description
Allosteric modulation of GABAA alpha1beta2gamma2 (unknown origin) expressed in Xenopus oocytes assessed as potentiation of GABA-induced current respo... |
Citation and Details
Article DOI: 10.1016/j.bmc.2015.12.037
BindingDB Entry DOI: 10.7270/Q2T43XRM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120794
(2-(2-Fluoro-phenyl)-8-thiophen-2-ylmethyl-6,7,8,9-...)Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(Cc3cccs3)CCc1[nH]c2=O Show InChI InChI=1S/C20H17FN4OS/c21-16-6-2-1-5-14(16)18-12-25-19(22-18)15-11-24(10-13-4-3-9-27-13)8-7-17(15)23-20(25)26/h1-6,9,12H,7-8,10-11H2,(H,23,26) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120798
(2-(2-Fluoro-phenyl)-8-(3H-imidazol-4-ylmethyl)-6,7...)Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(Cc3cnc[nH]3)CCc1[nH]c2=O Show InChI InChI=1S/C19H17FN6O/c20-15-4-2-1-3-13(15)17-10-26-18(23-17)14-9-25(8-12-7-21-11-22-12)6-5-16(14)24-19(26)27/h1-4,7,10-11H,5-6,8-9H2,(H,21,22)(H,24,27) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120781
(8-Benzyl-2-(3-fluoro-phenyl)-6,7,8,9-tetrahydro-5H...)Show SMILES Fc1cccc(c1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O Show InChI InChI=1S/C22H19FN4O/c23-17-8-4-7-16(11-17)20-14-27-21(24-20)18-13-26(10-9-19(18)25-22(27)28)12-15-5-2-1-3-6-15/h1-8,11,14H,9-10,12-13H2,(H,25,28) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50258256
(CHEMBL3427532)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3nccn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/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+/m1/s1 | PDB
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Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
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)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120791
(8-Cyclohexylmethyl-2-(2-fluoro-phenyl)-6,7,8,9-tet...)Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(CC3CCCCC3)CCc1[nH]c2=O Show InChI InChI=1S/C22H25FN4O/c23-18-9-5-4-8-16(18)20-14-27-21(24-20)17-13-26(11-10-19(17)25-22(27)28)12-15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,25,28) | PDB
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| n/a | n/a | n/a | n/a | 127 | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120799
(8-(3,4-Difluoro-benzoyl)-2-(2-fluoro-phenyl)-6,7,8...)Show SMILES Fc1ccc(cc1F)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F Show InChI InChI=1S/C22H15F3N4O2/c23-15-4-2-1-3-13(15)19-11-29-20(26-19)14-10-28(8-7-18(14)27-22(29)31)21(30)12-5-6-16(24)17(25)9-12/h1-6,9,11H,7-8,10H2,(H,27,31) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120793
(8-Cyclopropylmethyl-2-(2-fluoro-phenyl)-6,7,8,9-te...)Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(CC3CC3)CCc1[nH]c2=O Show InChI InChI=1S/C19H19FN4O/c20-15-4-2-1-3-13(15)17-11-24-18(21-17)14-10-23(9-12-5-6-12)8-7-16(14)22-19(24)25/h1-4,11-12H,5-10H2,(H,22,25) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120789
(8-Benzyl-2-(4-fluoro-phenyl)-6,7,8,9-tetrahydro-5H...)Show SMILES Fc1ccc(cc1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O Show InChI InChI=1S/C22H19FN4O/c23-17-8-6-16(7-9-17)20-14-27-21(24-20)18-13-26(11-10-19(18)25-22(27)28)12-15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,25,28) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50055919
(1-((3R,5S,10S,13S,17S)-3-Azidomethyl-3-hydroxy-10,...)Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@](O)(CN=[N+]=[N-])CC[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 | PDB
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| Article
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| n/a | n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/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 | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50191342
(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 |r| Show InChI InChI=1S/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+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/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 |
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120805
(2-(2-Fluoro-phenyl)-8-propenyl-6,7,8,9-tetrahydro-...)Show InChI InChI=1S/C18H17FN4O/c1-2-8-22-9-7-15-13(10-22)17-20-16(11-23(17)18(24)21-15)12-5-3-4-6-14(12)19/h2-6,11H,1,7-10H2,(H,21,24) | PDB
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| n/a | n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM26266
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)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 | PDB
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| n/a | n/a | n/a | n/a | 191 | n/a | n/a | n/a | n/a |
University of Bern
Curated by ChEMBL
| Assay Description
Activity at rat wild type GABAA alpha1beta2gamma2 receptor expressed in xenopus oocytes assessed as GABA-elicited response by two electrode voltage c... |
J Biol Chem 282: 26316-25 (2007)
Article DOI: 10.1074/jbc.M702153200
BindingDB Entry DOI: 10.7270/Q2PR7VR8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM26266
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)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 | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50504738
(CHEMBL4463715)Show SMILES Clc1ccc(Cc2cc(=O)n3nc(nc3[nH]2)-c2ccccc2)cc1 Show InChI InChI=1S/C18H13ClN4O/c19-14-8-6-12(7-9-14)10-15-11-16(24)23-18(20-15)21-17(22-23)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,20,21,22) | PDB
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Qingdao University of Science and Technology
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of recombinant human GABA receptor alpha1beta2gamma2 expressed in CHO cells at 30 uM in presence of GABA and measured ... |
Eur J Med Chem 185: (2020)
Article DOI: 10.1016/j.ejmech.2019.111824
BindingDB Entry DOI: 10.7270/Q25B05RJ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50282234
(CHEMBL4163464)Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC1(N=N1)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C |r,c:13| 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 | PDB
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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)
Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120771
(8-Benzyl-2-(2-thiophen-2-yl-phenyl)-6,7,8,9-tetrah...)Show SMILES O=c1[nH]c2CCN(Cc3ccccc3)Cc2c2nc(cn12)-c1ccccc1-c1cccs1 Show InChI InChI=1S/C26H22N4OS/c31-26-28-22-12-13-29(15-18-7-2-1-3-8-18)16-21(22)25-27-23(17-30(25)26)19-9-4-5-10-20(19)24-11-6-14-32-24/h1-11,14,17H,12-13,15-16H2,(H,28,31) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50258254
(CHEMBL4073780)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3ccc(n3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/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+/m1/s1 | PDB
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Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
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)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50191342
(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 |r| Show InChI InChI=1S/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+/m0/s1 | PDB
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Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
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)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50207314
(CHEMBL3971200)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 | PDB
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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 | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50504737
(CHEMBL4539102)Show SMILES Cc1ccc(cc1)-c1nc2[nH]c(Cc3ccccc3)cc(=O)n2n1 Show InChI InChI=1S/C19H16N4O/c1-13-7-9-15(10-8-13)18-21-19-20-16(12-17(24)23(19)22-18)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,21,22) | PDB
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Qingdao University of Science and Technology
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of recombinant human GABA receptor alpha1beta2gamma2 expressed in CHO cells at 30 uM in presence of GABA and measured ... |
Eur J Med Chem 185: (2020)
Article DOI: 10.1016/j.ejmech.2019.111824
BindingDB Entry DOI: 10.7270/Q25B05RJ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM26266
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)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 | PDB
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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 |
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50242613
(8-Isothiocyanato-5-methyl-6-oxo-5,6-dihydro-4H-2,5...)Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=C=S Show InChI InChI=1S/C16H14N4O3S/c1-3-23-16(22)14-13-7-19(2)15(21)11-6-10(18-9-24)4-5-12(11)20(13)8-17-14/h4-6,8H,3,7H2,1-2H3 | PDB
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University of Bern
Curated by ChEMBL
| Assay Description
Activity at rat wild type GABAA alpha1beta2gamma2 receptor expressed in xenopus oocytes assessed as GABA-elicited response by two electrode voltage c... |
J Biol Chem 282: 26316-25 (2007)
Article DOI: 10.1074/jbc.M702153200
BindingDB Entry DOI: 10.7270/Q2PR7VR8 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120788
(8-Butyl-2-(2-fluoro-phenyl)-6,7,8,9-tetrahydro-5H-...)Show InChI InChI=1S/C19H21FN4O/c1-2-3-9-23-10-8-16-14(11-23)18-21-17(12-24(18)19(25)22-16)13-6-4-5-7-15(13)20/h4-7,12H,2-3,8-11H2,1H3,(H,22,25) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50369240
(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 | PDB
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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 | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50120792
(8-Benzyl-2-p-tolyl-6,7,8,9-tetrahydro-5H-1,3a,5,8-...)Show SMILES Cc1ccc(cc1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O Show InChI InChI=1S/C23H22N4O/c1-16-7-9-18(10-8-16)21-15-27-22(24-21)19-14-26(12-11-20(19)25-23(27)28)13-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,25,28) | PDB
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1 |
J Med Chem 45: 5043-51 (2002)
BindingDB Entry DOI: 10.7270/Q2DR2TTC |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM86521
(CAS_5719 | NSC_5719 | Zaleplon)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 | PDB
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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 | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50258252
(CHEMBL4073679)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(C)cn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/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+/m1/s1 | PDB
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Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
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)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
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