Compile Data Set for Download or QSAR

Found 21 hits of ic50 for UniProtKB: P28471   

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-4 (Rattus norvegicus (Rat))	BDBM235902 (US9365502, MQ-87) Show SMILES C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@@]4(C)C3CC1CC[C@@H]2C#N |r| Show InChI InChI=1S/C20H31NO/c1-19-8-7-17(22)9-14(19)4-3-13-11-20(2)15(10-18(13)19)5-6-16(20)12-21/h13-18,22H,3-11H2,1-2H3/t13-,14-,15?,16-,17+,18?,19-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.				US Patent US9365502 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM235905 (US9365502, MQ-85) Show SMILES C[C@]12C[C@@H]3CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@H]1CC[C@@]21CO1 |r| Show InChI InChI=1S/C20H32O2/c1-18-7-6-16(21)9-14(18)4-3-13-11-19(2)15(10-17(13)18)5-8-20(19)12-22-20/h13-17,21H,3-12H2,1-2H3/t13-,14-,15+,16+,17-,18+,19-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.				US Patent US9365502 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM235901 (US9365502, MQ-86) Show SMILES C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@@]4(C)C3CC1CC=C2C#N |r,c:21| Show InChI InChI=1S/C20H29NO/c1-19-8-7-17(22)9-14(19)4-3-13-11-20(2)15(10-18(13)19)5-6-16(20)12-21/h6,13-15,17-18,22H,3-5,7-11H2,1-2H3/t13-,14-,15?,17+,18?,19-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.				US Patent US9365502 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM235900 (US9365502, MQ-37) Show SMILES C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CCC4C3CC1CC[C@@]21CO1 |r| Show InChI InChI=1S/C19H30O2/c1-18-10-13-3-2-12-8-15(20)4-5-16(12)17(13)9-14(18)6-7-19(18)11-21-19/h12-17,20H,2-11H2,1H3/t12-,13-,14?,15+,16?,17?,18+,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.				US Patent US9365502 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM235898 (US9365502, MQ-38) Show SMILES C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@H]4[C@@H]3C[C@@H]1CC[C@@H]2C#N |r| Show InChI InChI=1S/C19H29NO/c1-19-10-13-3-2-12-8-16(21)6-7-17(12)18(13)9-14(19)4-5-15(19)11-20/h12-18,21H,2-10H2,1H3/t12-,13-,14+,15-,16+,17-,18-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.				US Patent US9365502 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM235894 (US9365502, MQ-31) Show SMILES C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@H]4[C@@H]3C[C@@H]1CC\C2=C\C#N |r| Show InChI InChI=1S/C20H29NO/c1-20-12-14-3-2-13-10-17(22)6-7-18(13)19(14)11-16(20)5-4-15(20)8-9-21/h8,13-14,16-19,22H,2-7,10-12H2,1H3/b15-8-/t13-,14-,16+,17+,18-,19-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.				US Patent US9365502 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM235897 (US9365502, MQ-33) Show SMILES C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@H]4[C@@H]3C[C@@H]1CC[C@@H]2[N+]([O-])=O |r| Show InChI InChI=1S/C18H29NO3/c1-18-10-12-3-2-11-8-14(20)5-6-15(11)16(12)9-13(18)4-7-17(18)19(21)22/h11-17,20H,2-10H2,1H3/t11-,12-,13+,14+,15-,16-,17+,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.				US Patent US9365502 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM235907 (US9365502, MQ-39) Show SMILES CC(=O)[C@H]1CCC2CC3C(CCC4C[C@H](O)CCC34)C[C@]12C |r| Show InChI InChI=1S/C20H32O2/c1-12(21)19-8-5-15-10-18-14(11-20(15,19)2)4-3-13-9-16(22)6-7-17(13)18/h13-19,22H,3-11H2,1-2H3/t13?,14?,15?,16-,17?,18?,19-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.				US Patent US9365502 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM235896 (US9365502, MQ-32) Show SMILES C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@H]4[C@@H]3C[C@@H]1CC\C2=C/C#N |r| Show InChI InChI=1S/C20H29NO/c1-20-12-14-3-2-13-10-17(22)6-7-18(13)19(14)11-16(20)5-4-15(20)8-9-21/h8,13-14,16-19,22H,2-7,10-12H2,1H3/b15-8+/t13-,14-,16+,17+,18-,19-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.				US Patent US9365502 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM235904 (US9365502, MQ-48) Show SMILES C[C@]12CC(=O)CC1CC1C(CCC3C[C@H](O)CCC13)C2 |r| Show InChI InChI=1S/C18H28O2/c1-18-9-12-3-2-11-6-14(19)4-5-16(11)17(12)8-13(18)7-15(20)10-18/h11-14,16-17,19H,2-10H2,1H3/t11?,12?,13?,14-,16?,17?,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.				US Patent US9365502 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta (Rattus norvegicus (Rat))	BDBM50457439 (CHEMBL4213357) Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1 Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg University Mainz Curated by ChEMBL					Assay Description Displacement of [3H]EBOB from rat GABA-A receptor alpha4beta3delta expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting ...				J Med Chem 61: 1951-1968 (2018) Article DOI: 10.1021/acs.jmedchem.7b01484 BindingDB Entry DOI: 10.7270/Q2P271Q0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM235899 (US9365502, MQ-83) Show SMILES C[C@]12C[C@H]3CC[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC1CCC2=O |r| Show InChI InChI=1S/C19H30O2/c1-18-8-7-15(20)9-13(18)4-3-12-11-19(2)14(10-16(12)18)5-6-17(19)21/h12-16,20H,3-11H2,1-2H3/t12-,13+,14?,15+,16-,18-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	748	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.				US Patent US9365502 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM235910 (US9365502, MQ-50) Show SMILES [H][C@]12CC[C@@H](C(C)=O)[C@]1(C)C[C@]1([H])CC[C@@]3([H])C[C@H](O)CC[C@]3([H])[C@@]1([H])C2 |r| Show InChI InChI=1S/C20H32O2/c1-12(21)19-8-5-15-10-18-14(11-20(15,19)2)4-3-13-9-16(22)6-7-17(13)18/h13-19,22H,3-11H2,1-2H3/t13-,14-,15+,16+,17-,18-,19-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.				US Patent US9365502 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM235903 (US9365502, MQ-47) Show SMILES C[C@@]12CC3CC[C@H]4C[C@H](O)CCC4C3CC1CCC2=O |r| Show InChI InChI=1S/C18H28O2/c1-18-10-12-3-2-11-8-14(19)5-6-15(11)16(12)9-13(18)4-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12?,13?,14+,15?,16?,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.				US Patent US9365502 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM235906 (US9365502, MQ-49) Show SMILES C[C@@]12CC3CCC4C[C@H](O)CCC4C3CC1CC[C@H]2C#N |r| Show InChI InChI=1S/C19H29NO/c1-19-10-13-3-2-12-8-16(21)6-7-17(12)18(13)9-14(19)4-5-15(19)11-20/h12-18,21H,2-10H2,1H3/t12?,13?,14?,15-,16+,17?,18?,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.				US Patent US9365502 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM235895 (US9365502, MQ-36) Show SMILES C[C@]12C[C@H]3CCC4C[C@@H](O)CC[C@H]4[C@@H]3C[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H28O2/c1-18-10-12-3-2-11-8-14(19)5-6-15(11)16(12)9-13(18)4-7-17(18)20/h11-16,19H,2-10H2,1H3/t11?,12-,13+,14+,15-,16-,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.				US Patent US9365502 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3 (Rattus norvegicus (Rat))	BDBM50457439 (CHEMBL4213357) Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1 Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg University Mainz Curated by ChEMBL					Assay Description Displacement of [3H]EBOB from rat GABA-A receptor alpha4beta3 expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analy...				J Med Chem 61: 1951-1968 (2018) Article DOI: 10.1021/acs.jmedchem.7b01484 BindingDB Entry DOI: 10.7270/Q2P271Q0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM235911 (US9365502, MQ-54) Show SMILES C[C@@]12CC3CCC4C[C@H](O)CCC4C3CC1CC[C@]21CO1 |r| Show InChI InChI=1S/C19H30O2/c1-18-10-13-3-2-12-8-15(20)4-5-16(12)17(13)9-14(18)6-7-19(18)11-21-19/h12-17,20H,2-11H2,1H3/t12?,13?,14?,15-,16?,17?,18-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.				US Patent US9365502 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/gamma-2 (Rattus norvegicus (Rat))	BDBM50457439 (CHEMBL4213357) Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1 Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg University Mainz Curated by ChEMBL					Assay Description Displacement of [3H]EBOB from rat GABA-A receptor alpha4beta3gamma2 expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting...				J Med Chem 61: 1951-1968 (2018) Article DOI: 10.1021/acs.jmedchem.7b01484 BindingDB Entry DOI: 10.7270/Q2P271Q0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM235908 (US9365502, MQ-53) Show SMILES [H][C@]12CC[C@]3(CO3)[C@]1(C)C[C@]1([H])CC[C@@]3([H])C[C@H](O)CC[C@@]3(C)[C@@]1([H])C2 |r| Show InChI InChI=1S/C20H32O2/c1-18-7-6-16(21)9-14(18)4-3-13-11-19(2)15(10-17(13)18)5-8-20(19)12-22-20/h13-17,21H,3-12H2,1-2H3/t13-,14-,15+,16+,17-,18+,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.				US Patent US9365502 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM235909 (US9365502, MQ-51) Show SMILES [H][C@]12CCC(=O)[C@]1(C)C[C@]1([H])CC[C@]3([H])C[C@H](O)CC[C@]3([H])[C@@]1([H])C2 |r| Show InChI InChI=1S/C18H28O2/c1-18-10-12-3-2-11-8-14(19)5-6-15(11)16(12)9-13(18)4-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12+,13-,14-,15+,16+,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.				US Patent US9365502 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z4B
					More data for this Ligand-Target Pair