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Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with Target = 'GABA A Alpha4Beta2Gamma2' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM26267
PNG
(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
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3.40n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50044941
PNG
(8-Azido-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)N=[N+]=[N-])C(=O)OC(C)(C)C
Show InChI InChI=1S/C17H18N6O3/c1-17(2,3)26-16(25)14-13-8-22(4)15(24)11-7-10(20-21-18)5-6-12(11)23(13)9-19-14/h5-7,9H,8H2,1-4H3
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5.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50034835
PNG
(5-Methyl-6-oxo-5,6-dihydro-4H-7-thia-2,5,9b-triaza...)
Show SMILES CN1Cc2c(ncn2-c2ccsc2C1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)11-10-7-17(4)13(19)12-9(5-6-22-12)18(10)8-16-11/h5-6,8H,7H2,1-4H3
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6n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM84956
PNG
(2-(4-Methoxy-phenyl)-2,5-dihydro-pyrazolo[4,3-c]qu...)
Show SMILES COc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O
Show InChI InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,19H,1H3
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6.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50017009
PNG
(2-Phenyl-2,3a-dihydro-pyrazolo[4,3-c]quinolin-3-on...)
Show SMILES O=c1n([nH]c2c1cnc1ccccc21)-c1ccccc1
Show InChI InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H
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8n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50034816
PNG
(8-Chloro-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tri...)
Show SMILES CN1Cc2c(ncn2-c2ccc(Cl)cc2C1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C17H18ClN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3
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9.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50049739
PNG
(8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...)
Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3
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10n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM85038
PNG
(CHEMBL43948 | PZII-029)
Show SMILES COc1ccc(cc1)-n1[nH]c2c(cnc3cc(OC)ccc23)c1=O
Show InChI InChI=1S/C18H15N3O3/c1-23-12-5-3-11(4-6-12)21-18(22)15-10-19-16-9-13(24-2)7-8-14(16)17(15)20-21/h3-10,20H,1-2H3
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11.6n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM85042
PNG
(CHEMBL44613 | PW-007A)
Show SMILES COc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1
Show InChI InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,19H,1H3
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22.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM81951
PNG
(CAS_104999 | DMCM | NSC_104999)
Show SMILES CCc1c(ncc2[nH]c3cc(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/h6-8,19H,5H2,1-4H3
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38.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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118n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM85041
PNG
(DM 236 | DM-236)
Show SMILES CN1Cc2c(ncn2-c2ccc(OCc3ccccc3)cc2C1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H25N3O4/c1-24(2,3)31-23(29)21-20-13-26(4)22(28)18-12-17(10-11-19(18)27(20)15-25-21)30-14-16-8-6-5-7-9-16/h5-12,15H,13-14H2,1-4H3
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188n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM84957
PNG
(CGS 9896 | CHEMBL20042)
Show SMILES Clc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O
Show InChI InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H
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214n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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436n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM85040
PNG
(CAS_123700 | NSC_123700 | ZK 91296)
Show SMILES CCOC(=O)c1ncc2[nH]c3cccc(OCc4ccccc4)c3c2c1COC
Show InChI InChI=1S/C23H22N2O4/c1-3-28-23(26)22-16(14-27-2)20-18(12-24-22)25-17-10-7-11-19(21(17)20)29-13-15-8-5-4-6-9-15/h4-12,25H,3,13-14H2,1-2H3
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573n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50244036
PNG
(Beta-CCT | CHEMBL509197 | tert-butyl 9H-pyrido[3,4...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3
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897n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50045050
PNG
(1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
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
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1.90E+3n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM85683
PNG
(Co 2-6749 | Co-2-6749 | GMA-839 | WAY-141839)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CC[C@H]34)C(F)(F)F)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H31F3O3/c1-19-8-6-14-13-7-9-20(27,21(22,23)24)10-12(13)2-3-15(14)16(19)4-5-17(19)18(26)11-25/h12-17,25,27H,2-11H2,1H3/t12-,13+,14-,15-,16+,17-,19+,20-/m1/s1
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2.30E+3n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM85039
PNG
(CAS_121926 | NSC_121926 | ZK 93423)
Show SMILES CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC
Show InChI InChI=1S/C23H22N2O4/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22/h4-12,25H,3,13-14H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235902
PNG
(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
Show InChI InChI=1/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+/s2
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n/an/a 14n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235905
PNG
(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
Show InChI InChI=1/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+/s2
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n/an/a 29n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235901
PNG
(US9365502, MQ-86)
Show SMILES C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@@]4(C)C3CC1CC=C2C#N
Show InChI InChI=1/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+/s2
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US Patent
n/an/a 43n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235900
PNG
(US9365502, MQ-37)
Show SMILES C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CCC4C3CC1CC[C@@]21CO1
Show InChI InChI=1/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-/s2
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n/an/a 46n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235898
PNG
(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
Show InChI InChI=1/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+/s2
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n/an/a 52n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235894
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 61n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235897
PNG
(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
Show InChI InChI=1/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+/s2
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n/an/a 62n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235907
PNG
(US9365502, MQ-39)
Show SMILES CC(=O)[C@H]1CCC2CC3C(CCC4C[C@H](O)CCC34)C[C@]12C
Show InChI InChI=1/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+/s2
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n/an/a 65n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235896
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 147n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235904
PNG
(US9365502, MQ-48)
Show SMILES C[C@]12CC(=O)CC1CC1C(CCC3C[C@H](O)CCC13)C2
Show InChI InChI=1/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+/s2
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n/an/a 282n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235899
PNG
(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
Show InChI InChI=1/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+/s2
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n/an/a 748n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235910
PNG
(US9365502, MQ-50)
Show SMILES CC(=O)[C@@H]1CC[C@@H]2C[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@H]34)C[C@@]12C
Show InChI InChI=1/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+/s2
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n/an/a 1.06E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235903
PNG
(US9365502, MQ-47)
Show SMILES C[C@@]12CC3CC[C@H]4C[C@H](O)CCC4C3CC1CCC2=O
Show InChI InChI=1/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+/s2
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n/an/a 1.33E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235906
PNG
(US9365502, MQ-49)
Show SMILES C[C@@]12CC3CCC4C[C@H](O)CCC4C3CC1CC[C@H]2C#N
Show InChI InChI=1/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+/s2
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n/an/a 1.58E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235895
PNG
(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
Show InChI InChI=1/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+/s2
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n/an/a 1.73E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235911
PNG
(US9365502, MQ-54)
Show SMILES C[C@@]12CC3CCC4C[C@H](O)CCC4C3CC1CC[C@]21CO1
Show InChI InChI=1/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+/s2
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n/an/a 1.99E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235908
PNG
(US9365502, MQ-53)
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
Show InChI InChI=1/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-/s2
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n/an/a 3.63E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235909
PNG
(US9365502, MQ-51)
Show SMILES C[C@@]12C[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@H]3C[C@H]1CCC2=O
Show InChI InChI=1/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-/s2
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n/an/a 5.86E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50273002
PNG
(5-Aminomethyl-3H-[1,3,4]oxadiazol-2-one Hydrochlor...)
Show SMILES NCc1n[nH]c(=O)o1
Show InChI InChI=1S/C3H5N3O2/c4-1-2-5-6-3(7)8-2/h1,4H2,(H,6,7)
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n/an/an/an/a 1.28E+5n/an/an/an/a



Johannes Gutenberg-UniVersity

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant GABAAalpha4beta3gamma2 receptor expressed in HEK293 cells assessed as normalization of GABA-induced current by wh...


Citation and Details
More data for this
Ligand-Target Pair