Target Validation Information
TTD ID T80387
Target Name GABA(A) receptor beta-2 (GABRB2)
Type of Target
Successful
Drug Potency against Target (2E,4S)-4-ammoniopent-2-enoate Drug Info IC50 = 2600 nM [16]
(4R)-4-ammoniopentanoate Drug Info IC50 = 2500 nM [16]
(4S)-4-ammoniopentanoate Drug Info IC50 = 2900 nM [16]
1,1-Dimethyl-5-oxa-spiro[2.4]heptan-4-one Drug Info IC50 = 1140 nM [19]
1-(4-chlorophenyl)-4-phenyl-1H-imidazole Drug Info Ki = 3290 nM [6]
1-Methyl-5-oxa-spiro[2.4]heptan-4-one Drug Info IC50 = 3410 nM [19]
2-(4-chlorophenyl)-5-phenyl-4-isoxazolin-3-one Drug Info Ki = 1120 nM [6]
2-Isoxazol-5-yl-3H-imidazo[4,5-c]quinoline Drug Info Ki = 1 nM [21]
2-Oxa-spiro[4.4]nonan-1-one Drug Info IC50 = 810 nM [19]
2-Thiophen-2-yl-3H-imidazo[4,5-c]quinoline Drug Info Ki = 1.7 nM [21]
3,3-Diethyl-dihydro-furan-2-one Drug Info IC50 = 750 nM [19]
3,3-Diisopropyl-dihydro-furan-2-one Drug Info IC50 = 220 nM [19]
3-amino-3-demethoxythiocolchicine Drug Info IC50 = 5400 nM [9]
3-butoxycarbonyl-4-quinolone Drug Info Ki = 54 nM [7]
3-butoxycarbonyl-6-ethyl-4-quinolone Drug Info Ki = 13 nM [7]
3-butylaminocarbonyl-6-ethyl-4-quinolone Drug Info Ki = 0.54 nM [7]
3-carboxy-6-ethyl-4-quinolone Drug Info Ki = 208 nM [7]
3-cyclopentoxycarbonyl-6-ethyl-4-quinolone Drug Info Ki = 19 nM [7]
3-demethoxy-3-D-lyxopyranosylaminothiocolchicine Drug Info IC50 = 9700 nM [9]
3-demethoxy-3-D-mannopyranosylaminothiocolchicine Drug Info IC50 = 11300 nM [9]
3-demethoxy-3-D-xylopyranosylaminothiocolchicine Drug Info IC50 = 7000 nM [9]
3-demethoxy-3-L-fucopyranosylaminothiocolchicine Drug Info IC50 = 10500 nM [9]
3-demethoxy-3D-glucopyranosylaminothiocolchicine Drug Info IC50 = 18000 nM [9]
3-ethoxycarbonyl-4-quinolone Drug Info Ki = 78 nM [7]
3-ethoxycarbonyl-6-ethyl-2-methyl-4-quinolone Drug Info Ki = 6580 nM [7]
3-ethoxycarbonyl-6-propyl-4-quinolone Drug Info Ki = 17 nM [7]
3-Ethyl-3-isopropyl-dihydro-furan-2-one Drug Info IC50 = 240 nM [19]
3-Ethyl-3-methyl-dihydro-furan-2-one Drug Info IC50 = 2280 nM [19]
3-Isopropyl-3-methyl-dihydro-furan-2-one Drug Info IC50 = 740 nM [19]
3-Isothiocyanato-9H-beta-carboline Drug Info IC50 = 4 nM [14]
3-Methyl-9H-beta-carboline Drug Info Ki = 1.1 nM [17]
3-tert-Butyl-3-ethyl-dihydro-furan-2-one Drug Info IC50 = 310 nM [19]
4-(2-aminoethyl)-1,2,5-oxadiazol-3-ol Drug Info Ki = 13000 nM [8]
4-(4-chlorophenyl)-1-pyrid-2-yl-pyrazole Drug Info Ki = 4480 nM [6]
4-(biphenyl-3-yl)-5-(piperidin-4-yl)isoxazol-3-ol Drug Info IC50 = 78 nM [13]
4-Benzyl-5-piperidin-4-yl-isoxazol-3-ol Drug Info Ki = 3800 nM [4]
4-Naphthalen-1-yl-5-piperidin-4-yl-isoxazol-3-ol Drug Info Ki = 820 nM [4]
4-Naphthalen-2-yl-5-piperidin-4-yl-isoxazol-3-ol Drug Info Ki = 36 nM [4]
4-Phenyl-5-piperidin-4-yl-isoxazol-3-ol Drug Info Ki = 220 nM [4]
5-(piperidin-4-yl)isoxazol-3-ol Drug Info Ki = 9100 nM [4]
5-[(1R)-1-ammonioethyl]isoxazol-3-olate Drug Info IC50 = 9500 nM [16]
5-[(1S)-1-ammonioethyl]isoxazol-3-olate Drug Info IC50 = 5800 nM [16]
6,6-Dimethyl-2-oxa-spiro[4.4]nonan-1-one Drug Info IC50 = 360 nM [19]
6,9-Dimethyl-2-oxa-spiro[4.4]nonan-1-one Drug Info IC50 = 780 nM [19]
6-benzyl-3-ethoxycarbonyl-4-quinolone Drug Info Ki = 1.4 nM [7]
6-benzyl-3-propoxycarbonyl-4-quinolone Drug Info Ki = 0.17 nM [7]
6-bromo-3-ethoxycarbonyl-2-methyl-4-quinolone Drug Info Ki = 4200 nM [7]
6-bromo-3-ethoxycarbonyl-4-quinolone Drug Info Ki = 16 nM [7]
6-ethyl-3-(2-ethylbutoxycarbonyl)-4-quinolone Drug Info Ki = 92 nM [7]
6-ethyl-3-(2-methylbutoxycarbonyl)-4-quinolone Drug Info Ki = 28 nM [7]
6-ethyl-3-(3-methylbutoxycarbonyl)-4-quinolone Drug Info Ki = 28 nM [7]
6-ethyl-3-(3-pentoxycarbonyl)-4-quinolone Drug Info Ki = 2600 nM [7]
6-ethyl-3-i-propoxycarbonyl-4-quinolone Drug Info Ki = 214 nM [7]
6-ethyl-3-pentoxycarbonyl-4-quinolone Drug Info Ki = 35 nM [7]
6-ethyl-3-propoxycarbonyl-4-quinolone Drug Info Ki = 1.8 nM [7]
6-ethyl-3-propylaminocarbonyl-4-quinolone Drug Info Ki = 0.26 nM [7]
6-Methyl-2-oxa-spiro[4.4]nonan-1-one Drug Info IC50 = 680 nM [19]
Allopregnanolone Drug Info IC50 = 74 nM [5]
AMENTOFLAVONE Drug Info IC50 = 14.9 nM [3]
BETA-CCM Drug Info Ki = 2 nM [17]
CGS-13767 Drug Info IC50 = 4 nM [11]
CGS-9896 Drug Info Ki = 2.4 nM [6]
CI-218872 Drug Info Ki = 160 nM [17]
ELTANOLONE Drug Info IC50 = 71 nM [5]
GNF-PF-3645 Drug Info Ki = 15 nM [7]
GNF-PF-4421 Drug Info Ki = 20 nM [7]
GSK683699 Drug Info IC50 = 24 nM [9]
N-(p-methylbenzyl)-5-nitroindol-3-ylglyoxylamide Drug Info Ki = 31.3 nM [10]
N-Benzyl-2-(1H-indol-3-yl)-2-oxo-acetamide Drug Info Ki = 346 nM [10]
N-benzyl-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide Drug Info Ki = 65 nM [10]
N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide Drug Info Ki = 1175 nM [10]
N-butyl-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide Drug Info Ki = 125 nM [10]
N-Indan-1-yl-2-(1H-indol-3-yl)-2-oxo-acetamide Drug Info Ki = 225 nM [2]
Ridine-5-carboxylic acid ethyl ester Drug Info IC50 = 79 nM [15]
RO-145974 Drug Info Ki = 45 nM [20]
RO-145975 Drug Info Ki = 53 nM [20]
RO-147437 Drug Info Ki = 1.3 nM [20]
Ro-15-3505 Drug Info Ki = 5.4 nM [20]
RO-194603 Drug Info Ki = 0.2 nM [20]
THIOCOLCHICOSIDE Drug Info IC50 = 3400 nM [9]
U-78875 Drug Info Ki = 603 nM [22]
U-89267 Drug Info Ki = 0.65 nM [18]
ZK-93423 Drug Info IC50 = 1 nM [12]
[3H]CGS8216 Drug Info IC50 = 0.4 nM [1]
[3H]Ro154513 Drug Info Ki = 5.3 nM [20]
References
REF 1 Substituted 3-(2-benzoxazyl)-benzimidazol-2-(1H)-ones: a new class of GABA(A) brain receptor ligands. Bioorg Med Chem Lett. 2000 Dec 18;10(24):2723-6.
REF 2 Novel N-(arylalkyl)indol-3-ylglyoxylylamides targeted as ligands of the benzodiazepine receptor: synthesis, biological evaluation, and molecular mo... J Med Chem. 2001 Jul 5;44(14):2286-97.
REF 3 Semisynthetic preparation of amentoflavone: A negative modulator at GABA(A) receptors. Bioorg Med Chem Lett. 2003 Jul 21;13(14):2281-4.
REF 4 Potent 4-aryl- or 4-arylalkyl-substituted 3-isoxazolol GABA(A) antagonists: synthesis, pharmacology, and molecular modeling. J Med Chem. 2005 Jan 27;48(2):427-39.
REF 5 Neurosteroid analogues. 10. The effect of methyl group substitution at the C-6 and C-7 positions on the GABA modulatory and anesthetic actions of (... J Med Chem. 2005 Apr 21;48(8):3051-9.
REF 6 Synthesis, pharmacology, and structure-activity relationships of novel imidazolones and pyrrolones as modulators of GABAA receptors. J Med Chem. 2006 Mar 23;49(6):1855-66.
REF 7 4-quinolone derivatives: high-affinity ligands at the benzodiazepine site of brain GABA A receptors. synthesis, pharmacology, and pharmacophore mod... J Med Chem. 2006 Apr 20;49(8):2526-33.
REF 8 Hydroxy-1,2,5-oxadiazolyl moiety as bioisoster of the carboxy function. Synthesis, ionization constants, and pharmacological characterization of ga... J Med Chem. 2006 Jul 13;49(14):4442-6.
REF 9 3-demethoxy-3-glycosylaminothiocolchicines: Synthesis of a new class of putative muscle relaxant compounds. J Med Chem. 2006 Sep 7;49(18):5571-7.
REF 10 Novel N-substituted indol-3-ylglyoxylamides probing the LDi and L1/L2 lipophilic regions of the benzodiazepine receptor site in search for subtype-... J Med Chem. 2007 Apr 5;50(7):1627-34.
REF 11 Synthesis and benzodiazepine binding activity of a series of novel [1,2,4]triazolo[1,5-c]quinazolin-5(6H)-ones. J Med Chem. 1991 Jan;34(1):281-90.
REF 12 Structural requirements for agonist actions at the benzodiazepine receptor: studies with analogues of 6-(benzyloxy)-4-(methoxymethyl)-beta-carbolin... J Med Chem. 1990 Mar;33(3):1062-9.
REF 13 Novel 4-(piperidin-4-yl)-1-hydroxypyrazoles as gamma-aminobutyric acid(A) receptor ligands: synthesis, pharmacology, and structure-activity relatio... J Med Chem. 2010 Apr 22;53(8):3417-21.
REF 14 Synthetic and computer-assisted analyses of the pharmacophore for the benzodiazepine receptor inverse agonist site. J Med Chem. 1990 Sep;33(9):2343-57.
REF 15 Synthesis and structure-activity relationships of a series of anxioselective pyrazolopyridine ester and amide anxiolytic agents. J Med Chem. 1989 Dec;32(12):2561-73.
REF 16 gamma-Aminobutyric acid agonists, antagonists, and uptake inhibitors. Design and therapeutic aspects. J Med Chem. 1981 Dec;24(12):1377-83.
REF 17 Four amino acid exchanges convert a diazepam-insensitive, inverse agonist-preferring GABAA receptor into a diazepam-preferring GABAA receptor. J Med Chem. 1994 Dec 23;37(26):4576-80.
REF 18 Antagonist, partial agonist, and full agonist imidazo[1,5-a]quinoxaline amides and carbamates acting through the GABAA/benzodiazepine receptor. J Med Chem. 1994 Mar 18;37(6):758-68.
REF 19 Alpha-spirocyclopentyl- and alpha-spirocyclopropyl-gamma-butyrolactones: conformationally constrained derivatives of anticonvulsant and convulsant ... J Med Chem. 1994 Jan 21;37(2):275-86.
REF 20 Synthesis and evaluation of imidazo[1,5-a][1,4]benzodiazepine esters with high affinities and selectivities at "diazepam-insensitive" benzodiazepin... J Med Chem. 1993 Apr 16;36(8):1001-6.
REF 21 Synthesis and structure--activity relationships of fused imidazopyridines: a new series of benzodiazepine receptor ligands. J Med Chem. 1996 Jul 5;39(14):2844-51.
REF 22 High-affinity alpha-aminobutyric acid A/benzodiazepine ligands: synthesis and structure-activity relationship studies of a new series of tetracycli... J Med Chem. 1996 Nov 8;39(23):4654-66.

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