Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'GABA A receptor alpha-1/beta-1/gamma-2'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50229594 (CHEMBL253597 | N-(2-methoxybenzyl)-N-(4-phenoxypyr...) Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1 Show InChI InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Binding affinity to GABA alpha-1-beta-1-gamma-2 receptor				J Med Chem 51: 17-30 (2008) Article DOI: 10.1021/jm0707370 BindingDB Entry DOI: 10.7270/Q2N58M32
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50580362 (CHEMBL5086854) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C(=O)C=C4C=CCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |r,c:12,t:10| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative allosteric modulation activity at human GABAA alpha1beta1gamma2 stably expressed in HEK cells by whole cell patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00562 BindingDB Entry DOI: 10.7270/Q2TX3K7P
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50064420 ((4-Hydroxy-3,5-diisopropyl-phenyl)-phenyl-methanon...) Show SMILES CC(C)c1cc(cc(C(C)C)c1O)C(=O)c1ccccc1 Show InChI InChI=1S/C19H22O2/c1-12(2)16-10-15(11-17(13(3)4)19(16)21)18(20)14-8-6-5-7-9-14/h5-13,21H,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Direct activation of chloride current in Xenopus laevis oocytes expressing human alpha-1beta1-gamma2 GABA-A receptor subunits				J Med Chem 41: 1846-54 (1998) Article DOI: 10.1021/jm970681h BindingDB Entry DOI: 10.7270/Q2ZC820Z
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50064419 (4-Chloro-2,6-diisopropyl-phenol | CHEMBL292402) Show SMILES CC(C)c1cc(Cl)cc(C(C)C)c1O Show InChI InChI=1S/C12H17ClO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Modulation of GABA-induced chloride currents in Xenopus laevis oocytes expressing human alpha-1beta1-gamma2 GABA-A receptor subunits				J Med Chem 41: 1846-54 (1998) Article DOI: 10.1021/jm970681h BindingDB Entry DOI: 10.7270/Q2ZC820Z
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50064424 (4-Iodo-2,6-diisopropyl-phenol | 4-Iodo-2,6-diisopr...) Show SMILES CC(C)c1cc(I)cc(C(C)C)c1O Show InChI InChI=1S/C12H17IO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Modulation of GABA-induced chloride currents in Xenopus laevis oocytes expressing human alpha-1beta1-gamma2 GABA-A receptor subunits				J Med Chem 41: 1846-54 (1998) Article DOI: 10.1021/jm970681h BindingDB Entry DOI: 10.7270/Q2ZC820Z
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50058046 (CHEMBL526 | 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	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Modulation of GABA-induced chloride currents in Xenopus laevis oocytes expressing human alpha-1beta1-gamma2 GABA-A receptor subunits				J Med Chem 41: 1846-54 (1998) Article DOI: 10.1021/jm970681h BindingDB Entry DOI: 10.7270/Q2ZC820Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50064417 (4-Bromo-2,6-diisopropyl-phenol | CHEMBL54497) Show SMILES CC(C)c1cc(Br)cc(C(C)C)c1O Show InChI InChI=1S/C12H17BrO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Modulation of GABA-induced chloride currents in Xenopus laevis oocytes expressing human alpha-1beta1-gamma2 GABA-A receptor subunits				J Med Chem 41: 1846-54 (1998) Article DOI: 10.1021/jm970681h BindingDB Entry DOI: 10.7270/Q2ZC820Z
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50064424 (4-Iodo-2,6-diisopropyl-phenol | 4-Iodo-2,6-diisopr...) Show SMILES CC(C)c1cc(I)cc(C(C)C)c1O Show InChI InChI=1S/C12H17IO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Direct activation of chloride current in Xenopus laevis oocytes expressing human alpha-1beta1-gamma2 GABA-A receptor subunits				J Med Chem 41: 1846-54 (1998) Article DOI: 10.1021/jm970681h BindingDB Entry DOI: 10.7270/Q2ZC820Z
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50064420 ((4-Hydroxy-3,5-diisopropyl-phenyl)-phenyl-methanon...) Show SMILES CC(C)c1cc(cc(C(C)C)c1O)C(=O)c1ccccc1 Show InChI InChI=1S/C19H22O2/c1-12(2)16-10-15(11-17(13(3)4)19(16)21)18(20)14-8-6-5-7-9-14/h5-13,21H,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Modulation of GABA-induced chloride currents in Xenopus laevis oocytes expressing human alpha-1beta1-gamma2 GABA-A receptor subunits				J Med Chem 41: 1846-54 (1998) Article DOI: 10.1021/jm970681h BindingDB Entry DOI: 10.7270/Q2ZC820Z
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50064419 (4-Chloro-2,6-diisopropyl-phenol | CHEMBL292402) Show SMILES CC(C)c1cc(Cl)cc(C(C)C)c1O Show InChI InChI=1S/C12H17ClO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Direct activation of chloride current in Xenopus laevis oocytes expressing human alpha-1beta1-gamma2 GABA-A receptor subunits				J Med Chem 41: 1846-54 (1998) Article DOI: 10.1021/jm970681h BindingDB Entry DOI: 10.7270/Q2ZC820Z
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50459890 (Bromophene | CHEBI:70620) Show SMILES Oc1c(Br)cc(Br)cc1-c1cc(Br)cc(Br)c1O Show InChI InChI=1S/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant human GABAA receptor alpha1beta1gamma2L expressed in Xenopus laevis oocytes incubated for 30 secs by electrophysiolog...				Bioorg Med Chem Lett 27: 3207-3218 (2017) Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50503415 (CHEMBL4540194) Show SMILES CC(=CC#N)c1ccc(C)cc1Cl Show InChI InChI=1S/C11H10ClN/c1-8-3-4-10(11(12)7-8)9(2)5-6-13/h3-5,7H,1-2H3/b9-5+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.71E+5	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Positive allosteric modulation of GABA-A alpha1beta1gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as increase in GAB...				J Med Chem 62: 317-341 (2019) Article DOI: 10.1021/acs.jmedchem.8b00859 BindingDB Entry DOI: 10.7270/Q2J38WVM
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50503414 (CHEMBL4560044) Show SMILES [#6]\[#6](=[#6](/C#N)C#N)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C11H6Cl2N2/c1-7(8(5-14)6-15)10-3-2-9(12)4-11(10)13/h2-4H,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.80E+4	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Positive allosteric modulation of GABA-A alpha1beta1gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as increase in GAB...				J Med Chem 62: 317-341 (2019) Article DOI: 10.1021/acs.jmedchem.8b00859 BindingDB Entry DOI: 10.7270/Q2J38WVM
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50503421 (CHEMBL4587325) Show SMILES C\C(=C\C#N)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C10H7Cl2N/c1-7(4-5-13)9-3-2-8(11)6-10(9)12/h2-4,6H,1H3/b7-4-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Positive allosteric modulation of GABA-A alpha1beta1(S290N)gamma2S mutant receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as i...				J Med Chem 62: 317-341 (2019) Article DOI: 10.1021/acs.jmedchem.8b00859 BindingDB Entry DOI: 10.7270/Q2J38WVM
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50503414 (CHEMBL4560044) Show SMILES [#6]\[#6](=[#6](/C#N)C#N)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C11H6Cl2N2/c1-7(8(5-14)6-15)10-3-2-9(12)4-11(10)13/h2-4H,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Positive allosteric modulation of GABA-A alpha1beta1(S290N)gamma2S mutant receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as i...				J Med Chem 62: 317-341 (2019) Article DOI: 10.1021/acs.jmedchem.8b00859 BindingDB Entry DOI: 10.7270/Q2J38WVM
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50503421 (CHEMBL4587325) Show SMILES C\C(=C\C#N)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C10H7Cl2N/c1-7(4-5-13)9-3-2-8(11)6-10(9)12/h2-4,6H,1H3/b7-4-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.48E+5	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Positive allosteric modulation of GABA-A alpha1beta1gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as increase in GAB...				J Med Chem 62: 317-341 (2019) Article DOI: 10.1021/acs.jmedchem.8b00859 BindingDB Entry DOI: 10.7270/Q2J38WVM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1 (Homo sapiens (Human))	BDBM50581248 (CHEMBL5090753) Show SMILES C[C@H](O)[C@H]1NC(=O)[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)O)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSCS2)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GABAB1b receptor expressed in RBL cells by microplate analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00802 BindingDB Entry DOI: 10.7270/Q2542SG3
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1 (Homo sapiens (Human))	BDBM50581248 (CHEMBL5090753) Show SMILES C[C@H](O)[C@H]1NC(=O)[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)O)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSCS2)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human GABAB1b receptor expressed in RBL cells preincubated for 5 mins followed by 3-APMPA addition by microplate analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00802 BindingDB Entry DOI: 10.7270/Q2542SG3
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50064417 (4-Bromo-2,6-diisopropyl-phenol | CHEMBL54497) Show SMILES CC(C)c1cc(Br)cc(C(C)C)c1O Show InChI InChI=1S/C12H17BrO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Direct activation of chloride current in Xenopus laevis oocytes expressing human alpha-1beta1-gamma2 GABA-A receptor subunits				J Med Chem 41: 1846-54 (1998) Article DOI: 10.1021/jm970681h BindingDB Entry DOI: 10.7270/Q2ZC820Z
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50058046 (CHEMBL526 | 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	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Direct activation of chloride current in Xenopus laevis oocytes expressing human alpha-1beta1-gamma2 GABA-A receptor subunits				J Med Chem 41: 1846-54 (1998) Article DOI: 10.1021/jm970681h BindingDB Entry DOI: 10.7270/Q2ZC820Z
					More data for this Ligand-Target Pair				3D Structure (crystal)