Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-4 [36-554]/beta-3 [26-473]/gamma-2 [40-467]'   

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
Gamma-aminobutyric acid receptor subunit alpha-4 [36-554]/beta-3 [26-473]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM25877 (CHEMBL286594 | RY-80, 1 | ethyl 12-ethynyl-8-methy...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee					Assay Description The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o...				Bioorg Med Chem 16: 8853-62 (2008) Article DOI: 10.1016/j.bmc.2008.08.072 BindingDB Entry DOI: 10.7270/Q2GX48WR
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 [36-554]/beta-3 [26-473]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM25883 (ethyl 12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4...) Show SMILES CCOC(=O)c1ncn-2c1CN=C(c1ccccc1)c1cc(ccc-21)C#C |t:12| Show InChI InChI=1S/C22H17N3O2/c1-3-15-10-11-18-17(12-15)20(16-8-6-5-7-9-16)23-13-19-21(22(26)27-4-2)24-14-25(18)19/h1,5-12,14H,4,13H2,2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee					Assay Description The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o...				Bioorg Med Chem 16: 8853-62 (2008) Article DOI: 10.1016/j.bmc.2008.08.072 BindingDB Entry DOI: 10.7270/Q2GX48WR
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 [36-554]/beta-3 [26-473]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM25879 (3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C33H26N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h1-2,8-11,14-15,18-19H,7,12-13,16-17H2,3-4H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee					Assay Description The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o...				Bioorg Med Chem 16: 8853-62 (2008) Article DOI: 10.1016/j.bmc.2008.08.072 BindingDB Entry DOI: 10.7270/Q2GX48WR
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 [36-554]/beta-3 [26-473]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM25885 (3-({12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4.0...) Show SMILES O=C(OCCCOC(=O)c1ncn-2c1CN=C(c1ccccc1)c1cc(ccc-21)C#C)c1ncn-2c1CN=C(c1ccccc1)c1cc(ccc-21)C#C |t:16,42| Show InChI InChI=1S/C43H30N6O4/c1-3-28-16-18-34-32(22-28)38(30-12-7-5-8-13-30)44-24-36-40(46-26-48(34)36)42(50)52-20-11-21-53-43(51)41-37-25-45-39(31-14-9-6-10-15-31)33-23-29(4-2)17-19-35(33)49(37)27-47-41/h1-2,5-10,12-19,22-23,26-27H,11,20-21,24-25H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee					Assay Description The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o...				Bioorg Med Chem 16: 8853-62 (2008) Article DOI: 10.1016/j.bmc.2008.08.072 BindingDB Entry DOI: 10.7270/Q2GX48WR
					More data for this Ligand-Target Pair