Therapeutic Targets Database
BIDD Pharmainformatics Databases
 
   
 

 

Target Validation Information
TTD IDTTDS00018
Target NameGamma-aminobutyric acid receptor    
Type of TargetSuccessful target    
Drug Potency against TargetPiperazineEC50 = 22 nM[1]
PhenobarbitalIC50 = 100000 nM[2]
ClonazepamIC50 = 5 nM[3]
DextofisopamIC50 < 100 nM[4]
BL-1020Ki = 3740 nM[5]
7-Diazonium-naphthalene-1-sulfonic acid anionIC50 < 10000 nM[6]
ZK-93423IC50 = 1 nM[7]
CGS-9895IC50 = 100 nM[8]
8-Diazonium-naphthalene-1-sulfonic acid anionIC50 = 10000 nM[6]
4-Ethyl-5-piperidin-4-yl-isoxazol-3-olIC50 = 10300 nM[9]
3-(2,2-Dimethyl-propoxy)-9H-beta-carbolineIC50 = 104 nM[10]
3-demethoxy-3-L-fucopyranosylaminothiocolchicineIC50 = 10500 nM[11]
Benzyl-(9H-beta-carbolin-6-yl)-amineIC50 = 106 nM[12]
4-Bromo-2,6-diisopropyl-phenolIC50 = 1070 nM[13]
3-Propoxy-9H-beta-carbolineIC50 = 11 nM[12]
3-demethoxy-3-D-mannopyranosylaminothiocolchicineIC50 = 11300 nM[11]
1,1-Dimethyl-5-oxa-spiro[2.4]heptan-4-oneIC50 = 1140 nM[14]
4-Iodo-2,6-diisopropyl-phenolIC50 = 1200 nM[13]
3-Hydroxy-piperidine-4-carboxylic acidIC50 = 12000 nM[15]
3-Methoxy-9H-beta-carbolineIC50 = 124 nM[12]
3-Nitro-9H-beta-carbolineIC50 = 125 nM[12]
9H-beta-Carbolin-6-ylamineIC50 = 1300 nM[16]
Isoquinoline-3-carboxylic acid methyl esterIC50 = 13200 nM[12]
AMENTOFLAVONEIC50 = 14.9 nM[17]
4-Chloro-2,6-diisopropyl-phenolIC50 = 1440 nM[13]
(9H-beta-Carbolin-3-yl)-methanolIC50 = 1470 nM[16]
Benzoic acid 2,6-diisopropyl-phenyl esterIC50 = 15200 nM[13]
(R)-4-amino-2-methylbutanoic acidIC50 = 16000 nM[18]
1,3-Diphenyl-1H-chromeno[4,3-c]pyrazol-4-oneIC50 = 16000 nM[19]
NORHARMANEIC50 = 1620 nM[12]
CGP-27492IC50 = 1700 nM[20]
5-Aminomethyl-4,5-dihydro-isoxazol-3-olIC50 = 18 nM[21]
3-demethoxy-3D-glucopyranosylaminothiocolchicineIC50 = 18000 nM[11]
4-Amino-3-hydroxy-butyric acidIC50 = 1900 nM[21]
7,12-Dihydro-7,12-diaza-indeno[1,2-a]fluoreneIC50 = 1920 nM[12]
2,6-Diisopropyl-4-nitro-phenolIC50 = 1950 nM[13]
BETA-CCMIC50 = 2 nM[22]
1-(9H-beta-Carbolin-3-yl)-butan-1-oneIC50 = 2.8 nM[10]
WEDELOLACTONEIC50 = 2000 nM[23]
3,3-Diisopropyl-dihydro-furan-2-oneIC50 = 220 nM[14]
3-Ethyl-3-methyl-dihydro-furan-2-oneIC50 = 2280 nM[14]
RO-054520IC50 = 24 nM[24]
GAMMA-AMINO-BUTANOIC ACIDIC50 = 24 nM[11]
3-Ethyl-3-isopropyl-dihydro-furan-2-oneIC50 = 240 nM[14]
PITRAZEPINEIC50 = 240 nM[25]
(4R)-4-ammoniopentanoateIC50 = 2500 nM[26]
ALPIDEMIC50 = 26 nM[27]
(2E,4S)-4-ammoniopent-2-enoateIC50 = 2600 nM[26]
(4S)-4-ammoniopentanoateIC50 = 2900 nM[26]
3-Methyl-1-phenyl-1H-chromeno[4,3-c]pyrazol-4-oneIC50 = 300 nM[19]
3-ammoniopropane-1-sulfonateIC50 = 300 nM[28]
ALFAXALONEIC50 = 300 nM[13]
3-tert-Butyl-3-ethyl-dihydro-furan-2-oneIC50 = 310 nM[14]
3-Methyl-2-phenyl-2H-chromeno[4,3-c]pyrazol-4-oneIC50 = 3100 nM[19]
2,4-Diamino-butyric acid(GABA)IC50 = 33 nM[29]
Piperidine-4-carboxylic acidIC50 = 330 nM[15]
Pyrrolidin-3-yl-acetic acidIC50 = 330 nM[30]
THIOCOLCHICOSIDEIC50 = 3400 nM[11]
1-Methyl-5-oxa-spiro[2.4]heptan-4-oneIC50 = 3410 nM[14]
6,6-Dimethyl-2-oxa-spiro[4.4]nonan-1-oneIC50 = 360 nM[14]
3-Isothiocyanato-9H-beta-carbolineIC50 = 4 nM[31]
7,12-Dihydro-5,7,12-triaza-indeno[1,2-a]fluoreneIC50 = 4 nM[32]
CGS-13767IC50 = 4 nM[33]
9H-beta-Carbolin-3-olIC50 = 4000 nM[12]
N-(9H-beta-Carbolin-3-yl)-acetamideIC50 = 4000 nM[34]
ANDROSTERONEIC50 = 410 nM[35]
ETIOCHOLANOLONEIC50 = 4140 nM[35]
4-Methoxymethyl-3,6-dipropoxy-9H-beta-carbolineIC50 = 43.2 nM[36]
AFLATREMEIC50 = 4300 nM[37]
3-Chloro-9H-beta-carbolineIC50 = 45 nM[12]
(9H-beta-Carbolin-3-yl)-ethyl-amineIC50 = 460 nM[34]
3-ammoniopropane-1-sulfinateIC50 = 470 nM[28]
N-(9H-beta-Carbolin-3-yl)-formamideIC50 = 4700 nM[34]
3-sec-Butoxy-9H-beta-carbolineIC50 = 471 nM[10]
DIAZEPAM HYDROCHLORIDEIC50 = 5 nM[38]
RWJ-16979IC50 = 5.9 nM[39]
(2-Amino-4,5-dihydro-thiazol-4-yl)-acetic acidIC50 = 500 nM[40]
3-Isopropoxy-9H-beta-carbolineIC50 = 500 nM[10]
Toluene-1-diazonium-3-sulfonic acid anionIC50 = 5000 nM[6]
3-(3-Methyl-butoxy)-9H-beta-carbolineIC50 = 535 nM[10]
5-Aminomethyl-4,5-dihydro-isoxazol-3-olIC50 = 540 nM[21]
3-amino-3-demethoxythiocolchicineIC50 = 5400 nM[11]
3-aminoprop-1-enyl(methyl)phosphinic acidIC50 = 5500 nM[41]
DivaplonIC50 = 56 nM[42]
4-Dimethylamino-2,6-diisopropyl-phenolIC50 = 5700 nM[13]
1-(9H-beta-Carbolin-3-yl)-ethanoneIC50 = 58 nM[16]
4-Hydroxy-3,5-diisopropyl-benzaldehydeIC50 = 5800 nM[13]
5-[(1S)-1-ammonioethyl]isoxazol-3-olateIC50 = 5800 nM[26]
Ro-16-6028IC50 = 6.1 nM[43]
RIPAZEPAMIC50 = 670 nM[44]
6-Methyl-2-oxa-spiro[4.4]nonan-1-oneIC50 = 680 nM[14]
3-demethoxy-3-D-xylopyranosylaminothiocolchicineIC50 = 7000 nM[11]
ELTANOLONEIC50 = 71 nM[35]
ALLOPREGNANOLONEIC50 = 74 nM[35]
3-Isopropyl-3-methyl-dihydro-furan-2-oneIC50 = 740 nM[14]
3,3-Diethyl-dihydro-furan-2-oneIC50 = 750 nM[14]
(6-Benzylamino-9H-beta-carbolin-3-yl)-methanolIC50 = 76 nM[16]
6,9-Dimethyl-2-oxa-spiro[4.4]nonan-1-oneIC50 = 780 nM[14]
ridine-5-carboxylic acid ethyl esterIC50 = 79 nM[45]
5-Aminomethyl-4,5-dihydro-isoxazol-3-olIC50 = 8 nM[21]
(9H-beta-Carbolin-3-yl)-carbamic acid ethyl esterIC50 = 80 nM[34]
2-Oxa-spiro[4.4]nonan-1-oneIC50 = 810 nM[14]
Acetic acid 2,6-diisopropyl-phenyl esterIC50 = 8500 nM[13]
4-Amino-3-hydroxy-butyric acidIC50 = 900 nM[21]
3,3-Dimethyl-dihydro-furan-2-oneIC50 = 9200 nM[14]
3-Isobutoxy-9H-beta-carbolineIC50 = 93 nM[10]
BRL-54504AXIC50 = 950 nM[46]
5-[(1R)-1-ammonioethyl]isoxazol-3-olateIC50 = 9500 nM[26]
3-demethoxy-3-D-lyxopyranosylaminothiocolchicineIC50 = 9700 nM[11]
3-Butoxy-9H-beta-carbolineIC50 = 98 nM[10]
6-benzyl-3-propylaminocarbonyl-4-quinoloneKi = 0.048 nM[47]
6-benzyl-3-propoxycarbonyl-4-quinoloneKi = 0.17 nM[47]
RO-194603Ki = 0.2 nM[48]
TPA-023Ki = 0.2 nM[49]
6-ethyl-3-propylaminocarbonyl-4-quinoloneKi = 0.26 nM[47]
L-655708;NCGC00025115-02Ki = 0.4 nM[50]
3-butylaminocarbonyl-6-ethyl-4-quinoloneKi = 0.54 nM[47]
2-Isoxazol-3-yl-3H-imidazo[4,5-c]quinolineKi = 0.6 nM[51]
U-89267Ki = 0.65 nM[52]
CGS-17867AKi = 0.77 nM[53]
Ro-151310Ki = 0.85 nM[54]
2-Isoxazol-5-yl-3H-imidazo[4,5-c]quinolineKi = 1 nM[51]
PNU-91571Ki = 1 nM[55]
3-Methyl-9H-beta-carbolineKi = 1.1 nM[56]
(beta-CCE)9H-beta-Carboline-3-carboxylic acidKi = 1.2 nM[57]
RO-147437Ki = 1.3 nM[48]
6-benzyl-3-ethoxycarbonyl-4-quinoloneKi = 1.4 nM[47]
U-78875Ki = 1.6 nM[55]
2-Thiophen-2-yl-3H-imidazo[4,5-c]quinolineKi = 1.7 nM[51]
6-ethyl-3-propoxycarbonyl-4-quinoloneKi = 1.8 nM[47]
beta-Carboline-3-carboxylic acid t-butyl esterKi = 1000 nM[58]
ethyl 6-iodo-9H-pyrido[3,4-b]indole-3-carboxylateKi = 1000 nM[58]
3-ethoxy-9H-pyrido[3,4-b]indoleKi = 1000 nM[58]
3-propoxy-9H-pyrido[3,4-b]indoleKi = 1000 nM[58]
3-butoxy-9H-pyrido[3,4-b]indoleKi = 1000 nM[58]
3-(benzyloxy)-9H-pyrido[3,4-b]indoleKi = 10000 nM[58]
3-(isopentyloxy)-9H-pyrido[3,4-b]indoleKi = 10000 nM[58]
4-Methyl-5-piperidin-4-yl-isoxazol-3-olKi = 10000 nM[9]
3-isobutoxy-9H-pyrido[3,4-b]indoleKi = 10000 nM[58]
3-(hexa-1,3-dienyloxy)-9H-pyrido[3,4-b]indoleKi = 10000 nM[58]
5-tert-Butyl-2-(4-fluoro-phenyl)-[1,3]dithianeKi = 1100 nM[59]
5-(piperidin-4-yl)isoxazol-3-olKi = 11000 nM[60]
2-(4-chlorophenyl)-5-phenyl-4-isoxazolin-3-oneKi = 1120 nM[61]
2-(3-Bromo-phenyl)-6-methyl-chromen-4-oneKi = 12 nM[62]
6-Nitro-2-(3-nitro-phenyl)-chromen-4-oneKi = 12 nM[63]
N-Benzyl-2-(1H-indol-3-yl)-2-oxo-acetamideKi = 120 nM[64]
2-(3-Amino-phenyl)-6-methyl-chromen-4-oneKi = 1200 nM[62]
3-butoxycarbonyl-6-ethyl-4-quinoloneKi = 13 nM[47]
6-Methyl-2-pyridin-3-yl-chromen-4-oneKi = 130 nM[62]
4-(2-aminoethyl)-1,2,5-oxadiazol-3-olKi = 13000 nM[65]
Ro-4882224Ki = 14 nM[66]
3-Methoxycarbonyl-2-methyl-9H-beta-carbolin-2-iumKi = 1400 nM[67]
GNF-PF-3645Ki = 15 nM[47]
4-phenyl-5-(4-piperidyl)-3-isoxazololKi = 159 nM[60]
2-Furan-2-yl-6H-pyrazolo[1,5-c]quinazolin-5-oneKi = 16 nM[68]
6-bromo-3-ethoxycarbonyl-4-quinoloneKi = 16 nM[47]
6-Chloro-2-phenyl-chromen-4-oneKi = 164 nM[69]
3-ethoxycarbonyl-6-propyl-4-quinoloneKi = 17 nM[47]
6-Nitro-2-(4-nitro-phenyl)-chromen-4-oneKi = 17000 nM[63]
6-Ethyl-2-phenyl-chromen-4-oneKi = 180 nM[62]
6-Methyl-2-phenyl-chromen-4-oneKi = 180 nM[62]
6-Fluoro-2-(3-nitro-phenyl)-chromen-4-oneKi = 180 nM[69]
5-(piperidin-4-yl)isothiazol-3-olKi = 1870 nM[70]
3-cyclopentoxycarbonyl-6-ethyl-4-quinoloneKi = 19 nM[47]
6-Bromo-2-(3-bromo-phenyl)-chromen-4-oneKi = 19 nM[69]
CGS-9896Ki = 2.4 nM[61]
GNF-PF-4421Ki = 20 nM[47]
Ro-15-3505;SarmazenilKi = 20 nM[71]
3-carboxy-6-ethyl-4-quinoloneKi = 208 nM[47]
6-Bromo-2-(2-nitro-phenyl)-chromen-4-oneKi = 208 nM[72]
6-ethyl-3-i-propoxycarbonyl-4-quinoloneKi = 214 nM[47]
sec-butyl 9H-pyrido[3,4-b]indole-3-carboxylateKi = 216 nM[58]
N-Indan-1-yl-2-(1H-indol-3-yl)-2-oxo-acetamideKi = 2160 nM[73]
2-Phenyl-3H-imidazo[4,5-c]quinolineKi = 22 nM[51]
6-Bromo-2-(4-nitro-phenyl)-chromen-4-oneKi = 220 nM[72]
5-(4-piperidyl)-4-propylisothiazol-3-olKi = 230 nM[70]
4-(5-tert-Butyl-[1,3]dithian-2-yl)-benzonitrileKi = 240 nM[59]
GABAZINEKi = 240 nM[70]
2-(3-Bromo-phenyl)-6-nitro-chromen-4-oneKi = 25 nM[69]
3-Ethoxy-9H-beta-carbolineKi = 25.1 nM[36]
2-(4-Amino-phenyl)-6-methyl-chromen-4-oneKi = 2600 nM[62]
6-ethyl-3-(3-pentoxycarbonyl)-4-quinoloneKi = 2600 nM[47]
2-(4-Chloro-phenyl)-3H-imidazo[4,5-c]quinolineKi = 270 nM[51]
Ethyl 9H-pyrido[3,4-b]indole-3-carboxylateKi = 2700 nM[58]
6-Nitro-2-phenyl-chromen-4-oneKi = 275 nM[69]
6-ethyl-3-(2-methylbutoxycarbonyl)-4-quinoloneKi = 28 nM[47]
6-ethyl-3-(3-methylbutoxycarbonyl)-4-quinoloneKi = 28 nM[47]
NSC-73613Ki = 285 nM[69]
4-Methyl-5-(4-piperidyl)isothiazol-3-olKi = 2880 nM[70]
6-Bromo-2-(3-nitro-phenyl)-chromen-4-oneKi = 3.8 nM[72]
Ro-154513Ki = 3.8 nM[74]
1-(4-chlorophenyl)-4-phenyl-1H-imidazoleKi = 3290 nM[61]
6-ethyl-3-pentoxycarbonyl-4-quinoloneKi = 35 nM[47]
4-Naphthalen-2-yl-5-piperidin-4-yl-isoxazol-3-olKi = 36 nM[75]
2-(1H-Indol-3-yl)-2-oxo-N-phenethyl-acetamideKi = 380 nM[57]
4-Benzyl-5-piperidin-4-yl-isoxazol-3-olKi = 3800 nM[75]
2-(3-Hydroxy-phenyl)-6-methyl-chromen-4-oneKi = 390 nM[62]
2-(3-Bromo-phenyl)-chromen-4-oneKi = 413 nM[69]
6-bromo-3-ethoxycarbonyl-2-methyl-4-quinoloneKi = 4200 nM[47]
NSC-19028Ki = 4200 nM[62]
6-Methyl-2-p-tolyl-chromen-4-oneKi = 4400 nM[62]
4-(4-chlorophenyl)-1-pyrid-2-yl-pyrazoleKi = 4480 nM[61]
RO-145974Ki = 45 nM[48]
NSC-93394Ki = 4500 nM[69]
4-benzyl-5-(4-piperidyl)isothiazol-3-olKi = 465 nM[70]
RY-066Ki = 48 nM[76]
2-Phenyl-6-propyl-chromen-4-oneKi = 480 nM[62]
2-Pyridin-2-yl-6H-pyrazolo[1,5-c]quinazolin-5-oneKi = 53 nM[68]
RO-145975Ki = 53 nM[48]
3-butoxycarbonyl-4-quinoloneKi = 54 nM[47]
CI-218872Ki = 561 nM[58]
2-Phenyl-6H-pyrazolo[1,5-c]quinazolin-5-oneKi = 59 nM[68]
2-(2-Hydroxy-phenyl)-6-methyl-chromen-4-oneKi = 6.2 nM[62]
2-(3-Chloro-phenyl)-chromen-4-oneKi = 614 nM[69]
2-Phenyl-5,6-dihydro-pyrazolo[1,5-c]quinazolineKi = 6573 nM[68]
3-ethoxycarbonyl-6-ethyl-2-methyl-4-quinoloneKi = 6580 nM[47]
2-(2-Amino-phenyl)-6-methyl-chromen-4-oneKi = 700 nM[62]
2-(3-Butoxy-phenyl)-6-methyl-chromen-4-oneKi = 710 nM[62]
6-Isopropyl-2-phenyl-chromen-4-oneKi = 720 nM[62]
GABAZINEKi = 74 nM[75]
6-Bromo-2-phenyl-chromen-4-oneKi = 75 nM[69]
3-ethoxycarbonyl-4-quinoloneKi = 78 nM[47]
6-Chloro-2-(3-nitro-phenyl)-chromen-4-oneKi = 8 nM[69]
Ro-4938581Ki = 80 nM[66]
2-(2-Methoxy-phenyl)-6-methyl-chromen-4-oneKi = 820 nM[62]
4-Naphthalen-1-yl-5-piperidin-4-yl-isoxazol-3-olKi = 820 nM[75]
5-tert-Butyl-2-(4-ethynyl-phenyl)-[1,3]dithianeKi = 85 nM[59]
6-ethyl-3-(2-ethylbutoxycarbonyl)-4-quinoloneKi = 92 nM[47]
N-butyl-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamideKi = 943 nM[77]
2-p-Tolyl-6H-pyrazolo[1,5-c]quinazolin-5-oneKi = 9500 nM[68]
2-(3-Methoxy-phenyl)-6-methyl-chromen-4-oneKi = 99 nM[62]
Ref 1Curr Top Med Chem. 2005;5(1):59-67.Serotonergic 5-HT2C receptors as a potential therapeutic target for the design antiepileptic drugs. To Reference
Ref 2Neurosci Lett. 1999 Dec 3;276(2):127-30.Effects of anticonvulsants on veratridine- and KCl-evoked glutamate release from rat cortical synaptosomes. To Reference
Ref 3Endocrinology. 2000 Mar;141(3):1083-92.Subunit composition and pharmacological characterization of gamma-aminobutyric acid type A receptors in frog pituitary melanotrophs. To Reference
Ref 4Pharmacol Res Commun. 1982 Sep;14(8):745-57.Tofizopam affects binding of [3H]muscimol to gamma-amino-butyric acid receptors in rat and mouse brains. To Reference
Ref 5Eur Neuropsychopharmacol. 2009 Jan;19(1):1-13. Epub 2008 Aug 30.BL-1020: a novel antipsychotic drug with GABAergic activity and low catalepsy, is efficacious in a rat model of schizophrenia. To Reference
Ref 6J Med Chem. 1987 Dec;30(12):2222-7.Aryl diazo compounds and diazonium salts as potential irreversible probes of the gamma-aminobutyric acid receptor. To Reference
Ref 7J Med Chem. 1990 Mar;33(3):1062-9.Structural requirements for agonist actions at the benzodiazepine receptor: studies with analogues of 6-(benzyloxy)-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester. To Reference
Ref 8J Med Chem. 1987 Oct;30(10):1737-42.1,3-Diarylpyrazolo[4,5-c]- and -[5,4-c]quinolin-4-ones. 4. Synthesis and specific inhibition of benzodiazepine receptor binding. To Reference
Ref 9J Med Chem. 2000 Dec 28;43(26):4930-3.A novel class of potent 3-isoxazolol GABA(A) antagonists: design, synthesis, and pharmacology. To Reference
Ref 10J Med Chem. 1992 Oct 30;35(22):4001-10.Predictive binding of beta-carboline inverse agonists and antagonists via the CoMFA/GOLPE approach. To Reference
Ref 11J Med Chem. 2006 Sep 7;49(18):5571-7.3-demethoxy-3-glycosylaminothiocolchicines: Synthesis of a new class of putative muscle relaxant compounds. To Reference
Ref 12J Med Chem. 1988 Sep;31(9):1854-61.Synthesis of novel 3-substituted beta-carbolines as benzodiazepine receptor ligands: probing the benzodiazepine receptor pharmacophore. To Reference
Ref 13J Med Chem. 1998 May 21;41(11):1846-54.Propofol analogues. Synthesis, relationships between structure and affinity at GABAA receptor in rat brain, and differential electrophysiological profile at recombinant human GABAA receptors. To Reference
Ref 14J Med Chem. 1994 Jan 21;37(2):275-86.Alpha-spirocyclopentyl- and alpha-spirocyclopropyl-gamma-butyrolactones: conformationally constrained derivatives of anticonvulsant and convulsant alpha,alpha-disubstituted gamma-butyrolactones. To Reference
Ref 15J Med Chem. 1982 Oct;25(10):1157-62.Hydroxy- and amino-substituted piperidinecarboxylic acids as gamma-aminobutyric acid agonists and uptake inhibitors. To Reference
Ref 16J Med Chem. 1987 Apr;30(4):750-3.Synthesis of 6-substituted beta-carbolines that behave as benzodiazepine receptor antagonists or inverse agonists. To Reference
Ref 17Bioorg Med Chem Lett. 2003 Jul 21;13(14):2281-4.Semisynthetic preparation of amentoflavone: A negative modulator at GABA(A) receptors. To Reference
Ref 18Bioorg Med Chem Lett. 2008 Jan 1;18(1):402-4. Epub 2007 Oct 17.Enantioselective actions of 4-amino-3-hydroxybutanoic acid and (3-amino-2-hydroxypropyl)methylphosphinic acid at recombinant GABA(C) receptors. To Reference
Ref 19J Med Chem. 1988 Jan;31(1):1-3.Synthesis, binding studies, and structure-activity relationships of 1-aryl-and 2-aryl[1]benzopyranopyrazol-4-ones, central benzodiazepine receptor ligands. To Reference
Ref 20J Med Chem. 1995 Aug 18;38(17):3297-312.Phosphinic acid analogues of GABA. 1. New potent and selective GABAB agonists. To Reference
Ref 21J Med Chem. 1985 Nov;28(11):1612-7.GABA agonists. Resolution, absolute stereochemistry, and enantioselectivity of (S)-(+)- and (R)-(-)-dihydromuscimol. To Reference
Ref 22J Med Chem. 1995 Jan 6;38(1):189-98.Synthetic routes to 4-amino-3-carboxy-beta-carboline derivatives: incidental formation of novel furo[3,4-c]-beta-carbolin-2-ones displaying high affinities for the benzodiazepine receptor. To Reference
Ref 23Bioorg Med Chem Lett. 2001 Feb 12;11(3):283-6.Synthesis and preliminary pharmacological evaluation of coumestans with different patterns of oxygenation. To Reference
Ref 24J Med Chem. 1988 Dec;31(12):2235-46.Methods for drug discovery: development of potent, selective, orally effective cholecystokinin antagonists. To Reference
Ref 25J Med Chem. 1992 May 29;35(11):1969-77.Structure and molecular modeling of GABAA receptor antagonists. To Reference
Ref 26J Med Chem. 1981 Dec;24(12):1377-83.gamma-Aminobutyric acid agonists, antagonists, and uptake inhibitors. Design and therapeutic aspects. To Reference
Ref 27J Med Chem. 1997 Sep 12;40(19):3109-18.Synthesis and binding affinity of 2-phenylimidazo[1,2-alpha]pyridine derivatives for both central and peripheral benzodiazepine receptors. A new series of high-affinity and selective ligands for the peripheral type. To Reference
Ref 28Bioorg. Med. Chem. Lett. 6(14):1709-1714 (1996) To Reference
Ref 29J Med Chem. 1986 Feb;29(2):224-9.Glycine antagonists. Synthesis, structure, and biological effects of some bicyclic 5-isoxazolol zwitterions. To Reference
Ref 30J Med Chem. 1985 May;28(5):653-60.Orally active and potent inhibitors of gamma-aminobutyric acid uptake. To Reference
Ref 31J Med Chem. 1990 Sep;33(9):2343-57.Synthetic and computer-assisted analyses of the pharmacophore for the benzodiazepine receptor inverse agonist site. To Reference
Ref 32J Med Chem. 1987 Mar;30(3):456-8.Synthesis of 7,12-dihydropyrido[3,4-b:5,4-b']diindoles. A novel class of rigid, planar benzodiazepine receptor ligands. To Reference
Ref 33J Med Chem. 1991 Jan;34(1):281-90.Synthesis and benzodiazepine binding activity of a series of novel [1,2,4]triazolo[1,5-c]quinazolin-5(6H)-ones. To Reference
Ref 34J Med Chem. 1985 Jun;28(6):824-8.3-Amino-beta-carboline derivatives and the benzodiazepine receptor. Synthesis of a selective antagonist of the sedative action of diazepam. To Reference
Ref 35J Med Chem. 2006 Jul 27;49(15):4595-605.Neurosteroid analogues. 11. Alternative ring system scaffolds: gamma-aminobutyric acid receptor modulation and anesthetic actions of benz[f]indenes. To Reference
Ref 36J Med Chem. 1998 Jul 2;41(14):2537-52.Synthesis and evaluation of analogues of the partial agonist 6-(propyloxy)-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester (6-PBC) and the full agonist 6-(benzyloxy)-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester (Zk 93423) at wild type and recombinant GABAA receptors. To Reference
Ref 37Bioorg. Med. Chem. Lett. 5(3):265-270 (1995) To Reference
Ref 38J Med Chem. 1992 Oct 30;35(22):4105-17.Molecular yardsticks. Rigid probes to define the spatial dimensions of the benzodiazepine receptor binding site. To Reference
Ref 39J Med Chem. 1995 Jan 6;38(1):16-20.Potential anxiolytic agents. Pyrido[1,2-a]benzimidazoles: a new structural class of ligands for the benzodiazepine binding site on GABA-A receptors. To Reference
Ref 40Bioorg. Med. Chem. Lett. 1(5):247-248 (1991) To Reference
Ref 41J Med Chem. 2008 Jul 10;51(13):3825-40. Epub 2008 Jun 5.Novel gamma-aminobutyric acid rho1 receptor antagonists; synthesis, pharmacological activity and structure-activity relationships. To Reference
Ref 42J Med Chem. 1988 Jun;31(6):1220-6.(Imidazo[1,2-a]pyrimidin-2-yl)phenylmethanones and related compounds as potential nonsedative anxiolytics. To Reference
Ref 43J Med Chem. 1997 Jan 3;40(1):61-72.Synthesis and in vitro activity of 3 beta-substituted-3 alpha-hydroxypregnan-20-ones: allosteric modulators of the GABAA receptor. To Reference
Ref 44J Med Chem. 1985 May;28(5):683-5.Synthesis and interaction of 5-(substituted-phenyl)-3-methyl-6,7-dihydropyrazolo[4,3-e] [1,4]diazepin-8(7H)-ones with benzodiazepine receptors in rat cerebral cortex. To Reference
Ref 45J Med Chem. 1989 Dec;32(12):2561-73.Synthesis and structure-activity relationships of a series of anxioselective pyrazolopyridine ester and amide anxiolytic agents. To Reference
Ref 46Bioorg. Med. Chem. Lett. 5(22):2589-2592 (1995) To Reference
Ref 47J Med Chem. 2006 Apr 20;49(8):2526-33.4-quinolone derivatives: high-affinity ligands at the benzodiazepine site of brain GABA A receptors. synthesis, pharmacology, and pharmacophore modeling. To Reference
Ref 48J Med Chem. 1993 Apr 16;36(8):1001-6.Synthesis and evaluation of imidazo[1,5-a][1,4]benzodiazepine esters with high affinities and selectivities at "diazepam-insensitive" benzodiazepine receptors. To Reference
Ref 49J Med Chem. 2005 Nov 17;48(23):7089-92.7-(1,1-Dimethylethyl)-6-(2-ethyl-2H-1,2,4-triazol-3-ylmethoxy)-3-(2-fluorophenyl)-1,2,4-triazolo[4,3-b]pyridazine: a functionally selective gamma-aminobutyric acid(A) (GABA(A)) alpha2/alpha3-subtype selective agonist that exhibits potent anxiolytic activity but is not sedating in animal models. To Reference
Ref 50J Med Chem. 2004 Mar 25;47(7):1807-22.3-phenyl-6-(2-pyridyl)methyloxy-1,2,4-triazolo[3,4-a]phthalazines and analogues: high-affinity gamma-aminobutyric acid-A benzodiazepine receptor ligands with alpha 2, alpha 3, and alpha 5-subtype binding selectivity over alpha 1. To Reference
Ref 51J Med Chem. 1996 Jul 5;39(14):2844-51.Synthesis and structure--activity relationships of fused imidazopyridines: a new series of benzodiazepine receptor ligands. To Reference
Ref 52J Med Chem. 1994 Mar 18;37(6):758-68.Antagonist, partial agonist, and full agonist imidazo[1,5-a]quinoxaline amides and carbamates acting through the GABAA/benzodiazepine receptor. To Reference
Ref 53Bioorg Med Chem Lett. 2004 Jul 5;14(13):3441-4.2,5-Dihydropyrazolo[4,3-c]pyridin-3-ones: functionally selective benzodiazepine binding site ligands on the GABAA receptor. To Reference
Ref 54Bioorg Med Chem. 2010 Nov 15;18(22):7731-8. Epub 2010 Jun 1.The GABA(A) receptor as a target for photochromic molecules. To Reference
Ref 55J Med Chem. 1999 Apr 8;42(7):1123-44.Piperazine imidazo[1,5-a]quinoxaline ureas as high-affinity GABAA ligands of dual functionality. To Reference
Ref 56J Med Chem. 1994 Dec 23;37(26):4576-80.Four amino acid exchanges convert a diazepam-insensitive, inverse agonist-preferring GABAA receptor into a diazepam-preferring GABAA receptor. To Reference
Ref 57J Med Chem. 1992 Jun 12;35(12):2214-20.Benzodiazepine receptor affinity and interaction of some N-(indol-3-ylglyoxylyl)amine derivatives. To Reference
Ref 58Bioorg Med Chem. 2010 Nov 1;18(21):7548-64. Epub 2010 Sep 29.Design, synthesis, and subtype selectivity of 3,6-disubstituted -carbolines at Bz/GABA(A)ergic receptors. SAR and studies directed toward agents for treatment of alcohol abuse. To Reference
Ref 59J Med Chem. 1995 Jul 7;38(14):2663-71.Synthesis of carbon-11-, fluorine-18-, and iodine-125-labeled GABAA-gated chloride ion channel blockers: substituted 5-tert-butyl-2-phenyl-1,3-dithianes and -dithiane oxides. To Reference
Ref 60J Med Chem. 2007 Apr 19;50(8):1988-92. Epub 2007 Mar 22.4-aryl-5-(4-piperidyl)-3-isoxazolol GABAA antagonists: synthesis, pharmacology, and structure-activity relationships. To Reference
Ref 61J Med Chem. 2006 Mar 23;49(6):1855-66.Synthesis, pharmacology, and structure-activity relationships of novel imidazolones and pyrrolones as modulators of GABAA receptors. To Reference
Ref 62J Med Chem. 2002 Sep 12;45(19):4188-201.Refinement and evaluation of a pharmacophore model for flavone derivatives binding to the benzodiazepine site of the GABA(A) receptor. To Reference
Ref 63Bioorg. Med. Chem. Lett. 5(22):2717-2720 (1995) To Reference
Ref 64J Med Chem. 1998 Sep 24;41(20):3821-30.N'-Phenylindol-3-ylglyoxylohydrazide derivatives: synthesis, structure-activity relationships, molecular modeling studies, and pharmacological action on brain benzodiazepine receptors. To Reference
Ref 65J Med Chem. 2006 Jul 13;49(14):4442-6.Hydroxy-1,2,5-oxadiazolyl moiety as bioisoster of the carboxy function. Synthesis, ionization constants, and pharmacological characterization of gamma-aminobutyric acid (GABA) related compounds. To Reference
Ref 66Bioorg Med Chem Lett. 2009 Oct 15;19(20):5940-4. Epub 2009 Aug 15.The discovery and unique pharmacological profile of RO4938581 and RO4882224 as potent and selective GABAA alpha5 inverse agonists for the treatment of cognitive dysfunction. To Reference
Ref 67Bioorg. Med. Chem. Lett. 3(12):2831-2836 (1993) To Reference
Ref 68J Med Chem. 1996 Jul 19;39(15):2915-21.Synthesis and binding activity of some pyrazolo[1,5-c]quinazolines as tools to verify an optional binding site of a benzodiazepine receptor ligand. To Reference
Ref 69Bioorg. Med. Chem. Lett. 7(15):2003-2008 (1997) To Reference
Ref 70J Med Chem. 2006 Feb 23;49(4):1388-96.Potent 4-arylalkyl-substituted 3-isothiazolol GABA(A) competitive/noncompetitive antagonists: synthesis and pharmacology. To Reference
Ref 71J Med Chem. 1995 May 12;38(10):1679-88.Synthesis of novel imidazobenzodiazepines as probes of the pharmacophore for "diazepam-insensitive" GABAA receptors. To Reference
Ref 72Bioorg. Med. Chem. Lett. 7(3):373-378 (1997) To Reference
Ref 73J Med Chem. 2001 Jul 5;44(14):2286-97.Novel N-(arylalkyl)indol-3-ylglyoxylylamides targeted as ligands of the benzodiazepine receptor: synthesis, biological evaluation, and molecular modeling analysis of the structure-activity relationships. To Reference
Ref 74J Med Chem. 1996 Apr 26;39(9):1928-34.Synthesis and pharmacological properties of novel 8-substituted imidazobenzodiazepines: high-affinity, selective probes for alpha 5-containing GABAA receptors. To Reference
Ref 75J Med Chem. 2005 Jan 27;48(2):427-39.Potent 4-aryl- or 4-arylalkyl-substituted 3-isoxazolol GABA(A) antagonists: synthesis, pharmacology, and molecular modeling. To Reference
Ref 76J Med Chem. 1998 Oct 8;41(21):4130-42.Predictive models for GABAA/benzodiazepine receptor subtypes: studies of quantitative structure-activity relationships for imidazobenzodiazepines at five recombinant GABAA/benzodiazepine receptor subtypes [alphaxbeta3gamma2 (x = 1-3, 5, and 6)] via comparative molecular field analysis. To Reference
Ref 77J Med Chem. 2007 Apr 5;50(7):1627-34. Epub 2007 Mar 3.Novel N-substituted indol-3-ylglyoxylamides probing the LDi and L1/L2 lipophilic regions of the benzodiazepine receptor site in search for subtype-selective ligands. To Reference



 

Welcome to sign our Guestbook.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhu.


Dr. Chen Yuzong
Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

 
   
           
 
Computer-aided Drug Design
About BIDD | Databases | Software | Teaching | Research |  Links

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543