Target Validation Information
TTD ID T60529
Target Name Prostaglandin G/H synthase 1 (COX-1)
Type of Target
Successful
Drug Potency against Target Mesalazine Drug Info IC50 = 50~1000 nM [36]
Salicyclic acid Drug Info IC50 = 1700 nM [37]
Suprofen Drug Info IC50 = 0.136 uM [38]
(11H-Dibenzo[b,e][1,4]dioxepin-2-yl)-acetic acid Drug Info IC50 = 100 nM [33]
(11H-Dibenzo[b,e][1,4]dioxepin-7-yl)-acetic acid Drug Info IC50 = 1400 nM [33]
(11H-Dibenzo[b,e][1,4]dioxepin-8-yl)-acetic acid Drug Info IC50 = 10000 nM [33]
(Z)-2'-des-methyl sulindac sulfide Drug Info IC50 = 375 nM [25]
1,2-dihydro-3-(2,3,4-trimethoxyphenyl)naphthalene Drug Info IC50 = 480 nM [16]
1-(4-(methylsulfonyl)phenyl)-3-p-tolylurea Drug Info IC50 = 12500 nM [20]
1-(4-(methylsulfonyl)phenyl)-3-phenylurea Drug Info IC50 = 9200 nM [20]
1-(4-aminosulfonylphenyl)-2-(2-pyridyl)acetylene Drug Info IC50 = 9300 nM [19]
1-(4-aminosulfonylphenyl)-2-(4-pyridyl)acetylene Drug Info IC50 = 3900 nM [19]
2'-epi-guianin Drug Info IC50 = 18200 nM [29]
2,4'-Dimethoxy-5,3'-di-(2-propenyl)-biphenyl Drug Info IC50 = 11400 nM [27]
2-(1,1'-Biphenyl-4-Yl)Propanoic Acid Drug Info IC50 = 110 nM [30]
2-(2,3,4-trimethoxyphenyl)-1H-indene Drug Info IC50 = 30 nM [16]
2-(2-(2,6-dimethylphenylamino)phenyl)acetic acid Drug Info IC50 = 234 nM [14]
2-(2-methoxyphenyl)-1H-indene Drug Info IC50 = 460 nM [16]
2-(2-Methylpropanoyl)-1,3,5-benzenetriol Drug Info IC50 = 3800 nM [10]
2-(3'-Allyl-biphenyl-4-yl)-propionic acid Drug Info IC50 = 1400 nM [2]
2-(3'-Ethyl-biphenyl-4-yl)-propionic acid Drug Info IC50 = 5800 nM [2]
2-(3'-Ethylsulfanyl-biphenyl-4-yl)-propionic acid Drug Info IC50 = 3100 nM [2]
2-(3'-Vinyl-biphenyl-4-yl)-propionic acid Drug Info IC50 = 1300 nM [2]
2-(3-Phenyl-propyl)-1,2-dihydro-indazol-3-one Drug Info IC50 = 3800 nM [21]
2-(N-(2-Ffuorophenyl)pyrrol-3-yl) acetic acid Drug Info IC50 = 10600 nM [15]
2-(N-(2-fluorophenyl)pyrrol-2-yl) acetic acid Drug Info IC50 = 19800 nM [15]
2-(p-Methylsulfonylbenzoyl)furan Drug Info IC50 = 15100 nM [31]
2-Benzyl-1,2-dihydro-indazol-3-one Drug Info IC50 = 18000 nM [21]
2-Furan-2-ylmethyl-1,2-dihydro-indazol-3-one Drug Info IC50 = 13000 nM [21]
2-Methyl-1,2-dihydro-indazol-3-one Drug Info IC50 = 17000 nM [21]
2-Naphthalen-2-ylmethyl-1,2-dihydro-indazol-3-one Drug Info IC50 = 18000 nM [21]
2-Phenethyl-1,2-dihydro-indazol-3-one Drug Info IC50 = 15000 nM [21]
2-Phenyl-1,2-dihydro-indazol-3-one Drug Info IC50 = 2700 nM [21]
2-[4-(1H-Indol-5-yl)-phenyl]-propionic acid Drug Info IC50 = 100 nM [2]
3 beta-O-acetyloleanolic acid Drug Info IC50 = 1 nM [11]
3-(4-Methanesulfonyl-phenyl)-1-phenyl-propynone Drug Info IC50 = 1000 nM [8]
4'-Methoxy-5,3'-dipropyl-biphenyl-2ol Drug Info IC50 = 7700 nM [27]
4,5-Bis(4-chlorophenyl)-1,2-selenazole Drug Info IC50 = 200 nM [17]
4,5-Bis(4-chlorophenyl)isothiazole Drug Info IC50 = 100 nM [23]
4,5-Bis(4-methoxyphenyl)-1,2-selenazole Drug Info IC50 = 6 nM [17]
4,5-Bis(4-methoxyphenyl)-3H-1,2-dithiol-3-one Drug Info IC50 = 0.3 nM [23]
4,5-Bis(4-methoxyphenyl)-3H-1,2-dithiole-3-thione Drug Info IC50 = 30 nM [23]
4,5-Bis(4-methoxyphenyl)isothiazole Drug Info IC50 = 3 nM [23]
4-(4-Chlorophenyl)-5-(4-methoxyphenyl)isothiazole Drug Info IC50 = 20 nM [23]
4-(4-Chlorophenyl)-5-p-tolyl-1,2-selenazole Drug Info IC50 = 50 nM [17]
4-(4-Chlorophenyl)-5-p-tolyl-3H-1,2-dithiol-3-one Drug Info IC50 = 20 nM [23]
4-(4-Chlorophenyl)-5-p-tolylisothiazole Drug Info IC50 = 200 nM [23]
4-(5-(4-Hydroxyphenyl)isothiazol-4-yl)phenol Drug Info IC50 = 1000 nM [23]
4-amino-N-(4-chlorophenyl)benzenesulfonamide Drug Info IC50 = 12000 nM [12]
5,3'-Dipropyl-biphenyl-2,4'-diol Drug Info IC50 = 800 nM [27]
5-(2-1H-indenyl)-1,3-benzodioxole Drug Info IC50 = 12800 nM [16]
5-(2-Imidazol-1-yl-ethyl)-7,8-dihydro-quinoline Drug Info IC50 = 173 nM [3]
5-(4-Chlorophenyl)-4-(4-methoxyphenyl)isothiazole Drug Info IC50 = 70 nM [23]
5-(4-Chlorophenyl)-4-p-tolyl-1,2-selenazole Drug Info IC50 = 200 nM [17]
5-(4-Chlorophenyl)-4-p-tolyl-3H-1,2-dithiol-3-one Drug Info IC50 = 200 nM [23]
5-(4-Chlorophenyl)-4-p-tolylisothiazole Drug Info IC50 = 40 nM [23]
5-(4-Methoxyphenyl)-4-p-tolyl-1,2-selenazole Drug Info IC50 = 20 nM [17]
5-(4-Methoxyphenyl)-4-p-tolylisothiazole Drug Info IC50 = 10 nM [23]
5-Ethyl-3,4-diphenyl-isoxazole Drug Info IC50 = 50 nM [5]
5-Methyl-3,4-diphenyl-isoxazole Drug Info IC50 = 90 nM [5]
Acetic acid 2-hept-2-ynylsulfanyl-phenyl ester Drug Info IC50 = 17000 nM [35]
Acetic acid 2-hept-3-ynylsulfanyl-phenyl ester Drug Info IC50 = 18000 nM [35]
Acetic acid 2-heptylselanyl-phenyl ester Drug Info IC50 = 12000 nM [35]
Acetic acid 2-heptylsulfanyl-phenyl ester Drug Info IC50 = 6000 nM [35]
Acetic acid 2-hex-2-ynylsulfanyl-phenyl ester Drug Info IC50 = 14000 nM [35]
Acetic acid 2-hexylsulfanyl-phenyl ester Drug Info IC50 = 8000 nM [35]
Acetic acid 2-pentylsulfanyl-phenyl ester Drug Info IC50 = 5000 nM [35]
CIMICOXIB Drug Info IC50 = 1900 nM [13]
Eicosapentaenoic acid/docosa-hexaenoic acid Drug Info IC50 = 15000 nM [4]
FENBUFEN Drug Info IC50 = 3900 nM [26]
HONOKIOL Drug Info IC50 = 1800 nM [27]
Icosapent Drug Info IC50 = 13000 nM [4]
IMRECOXIB Drug Info IC50 = 115 nM [24]
IODOINDOMETHACIN Drug Info IC50 = 780 nM [30]
IODOSUPROFEN Drug Info IC50 = 1000 nM [30]
L-745337 Drug Info IC50 = 1600 nM [1]
METHYLHONOKIOL Drug Info IC50 = 100 nM [27]
N-(3-(phenylthio)pyridin-4-yl)methanesulfonamide Drug Info IC50 = 3620 nM [28]
N-(3-phenoxy-4-pyridinyl)ethanesulfonamide Drug Info IC50 = 5340 nM [7]
N-(3-phenoxy-4-pyridinyl)propanesulfonamide Drug Info IC50 = 18360 nM [7]
N-(3-phenoxypyridin-4-yl)methanesulfonamide Drug Info IC50 = 410 nM [28]
N-(3-phenylamino-4-pyridinyl)methanesulfonamide Drug Info IC50 = 2260 nM [28]
Oxametacin Drug Info IC50 = 2800 nM [18]
PHENIDONE Drug Info IC50 = 3000 nM [21]
Prifelone Drug Info IC50 = 500 nM [9]
Primary alcohol metabolite of celecoxib Drug Info IC50 = 7100 nM [22]
RESORCINOL Drug Info IC50 = 3600 nM [6]
SC-58451 Drug Info IC50 = 140 nM
TEBUFELONE Drug Info IC50 = 250 nM [34]
Tenidap Drug Info IC50 = 2560 nM [32]
References
REF 1 Substituted heterocyclic analogs as selective COX-2 inhibitors in the flosulide class. Bioorg Med Chem Lett. 1999 Jan 18;9(2):151-6.
REF 2 Structure-based design of COX-2 selectivity into flurbiprofen. Bioorg Med Chem Lett. 1999 Feb 8;9(3):307-12.
REF 3 1-imidazolyl(alkyl)-substituted di- and tetrahydroquinolines and analogues: syntheses and evaluation of dual inhibitors of thromboxane A(2) synthas... J Med Chem. 2000 May 4;43(9):1841-51.
REF 4 Cox-2 inhibitory effects of naturally occurring and modified fatty acids. J Nat Prod. 2001 Jun;64(6):745-9.
REF 5 Novel synthesis of 3,4-diarylisoxazole analogues of valdecoxib: reversal cyclooxygenase-2 selectivity by sulfonamide group removal. J Med Chem. 2004 Sep 23;47(20):4881-90.
REF 6 Mechanism-based inactivation of COX-1 by red wine m-hydroquinones: a structure-activity relationship study. J Nat Prod. 2004 Nov;67(11):1777-82.
REF 7 Design, synthesis, and pharmacological evaluation of pyridinic analogues of nimesulide as cyclooxygenase-2 selective inhibitors. J Med Chem. 2004 Dec 30;47(27):6749-59.
REF 8 Synthesis and biological evaluation of 1,3-diphenylprop-2-yn-1-ones as dual inhibitors of cyclooxygenases and lipoxygenases. Bioorg Med Chem Lett. 2005 Nov 1;15(21):4842-5.
REF 9 Designed multiple ligands. An emerging drug discovery paradigm. J Med Chem. 2005 Oct 20;48(21):6523-43.
REF 10 Anti-inflammatory acylphloroglucinol derivatives from Hops (Humulus lupulus). J Nat Prod. 2005 Oct;68(10):1545-8.
REF 11 Nitrogen-containing phorbol esters from Croton ciliatoglandulifer and their effects on cyclooxygenases-1 and -2. J Nat Prod. 2006 Jun;69(6):887-90.
REF 12 Analgesic agents without gastric damage: design and synthesis of structurally simple benzenesulfonanilide-type cyclooxygenase-1-selective inhibitors. Bioorg Med Chem. 2007 Jan 15;15(2):1014-21.
REF 13 NO-donor COX-2 inhibitors. New nitrooxy-substituted 1,5-diarylimidazoles endowed with COX-2 inhibitory and vasodilator properties. J Med Chem. 2007 Apr 5;50(7):1449-57.
REF 14 Molecular determinants for the selective inhibition of cyclooxygenase-2 by lumiracoxib. J Biol Chem. 2007 Jun 1;282(22):16379-90.
REF 15 Synthesis and biological activity of new anti-inflammatory compounds containing the 1,4-benzodioxine and/or pyrrole system. Bioorg Med Chem. 2007 Jul 15;15(14):4876-90.
REF 16 'Bridged' stilbene derivatives as selective cyclooxygenase-1 inhibitors. Bioorg Med Chem. 2007 Sep 15;15(18):6109-18.
REF 17 Investigations concerning the COX/5-LOX inhibiting and hydroxyl radical scavenging potencies of novel 4,5-diaryl isoselenazoles. Eur J Med Chem. 2008 Jun;43(6):1152-9.
REF 18 Structure-based design, synthesis, and biological evaluation of indomethacin derivatives as cyclooxygenase-2 inhibiting nitric oxide donors. J Med Chem. 2007 Dec 13;50(25):6367-82.
REF 19 Synthesis and cyclooxygenase inhibitory activities of linear 1-(methanesulfonylphenyl or benzenesulfonamido)-2-(pyridyl)acetylene regioisomers. Bioorg Med Chem. 2008 Feb 15;16(4):1948-56.
REF 20 Design and synthesis of 1,3-diarylurea derivatives as selective cyclooxygenase (COX-2) inhibitors. Bioorg Med Chem Lett. 2008 Feb 15;18(4):1336-9.
REF 21 Indazolinones, a new series of redox-active 5-lipoxygenase inhibitors with built-in selectivity and oral activity. J Med Chem. 1991 Mar;34(3):1028-36.
REF 22 Diazen-1-ium-1,2-diolated nitric oxide donor ester prodrugs of 5-(4-hydroxymethylphenyl)-1-(4-aminosulfonylphenyl)-3-trifluoromethyl-1H-pyrazole an... Bioorg Med Chem. 2008 Nov 15;16(22):9694-8.
REF 23 Diaryl-dithiolanes and -isothiazoles: COX-1/COX-2 and 5-LOX-inhibitory, *OH scavenging and anti-adhesive activities. Bioorg Med Chem. 2009 Jan 15;17(2):558-68.
REF 24 Synthesis and anti-inflammatory activity of the major metabolites of imrecoxib. Bioorg Med Chem Lett. 2009 Apr 15;19(8):2270-2.
REF 25 The influence of double bond geometry in the inhibition of cyclooxygenases by sulindac derivatives. Bioorg Med Chem Lett. 2009 Jun 15;19(12):3271-4.
REF 26 Fenbufen based 3-[5-(substituted aryl)-1,3,4-oxadiazol-2-yl]-1-(biphenyl-4-yl)propan-1-ones as safer antiinflammatory and analgesic agents. Eur J Med Chem. 2009 Sep;44(9):3798-804.
REF 27 Design and synthesis of ten biphenyl-neolignan derivatives and their in vitro inhibitory potency against cyclooxygenase-1/2 activity and 5-lipoxyge... Bioorg Med Chem. 2009 Jul 1;17(13):4459-65.
REF 28 Pyridine analogues of nimesulide: design, synthesis, and in vitro and in vivo pharmacological evaluation as promising cyclooxygenase 1 and 2 inhibi... J Med Chem. 2009 Oct 8;52(19):5864-71.
REF 29 COX, LOX and platelet aggregation inhibitory properties of Lauraceae neolignans. Bioorg Med Chem Lett. 2009 Dec 15;19(24):6922-5.
REF 30 In silico search for multi-target anti-inflammatories in Chinese herbs and formulas. Bioorg Med Chem. 2010 Mar 15;18(6):2204-2218.
REF 31 Synthesis, anti-inflammatory activity, and in vitro antitumor effect of a novel class of cyclooxygenase inhibitors: 4-(aryloyl)phenyl methyl sulfones. J Med Chem. 2010 Sep 23;53(18):6560-71.
REF 32 Synthesis and biological evaluation of 3-[4-(amino/methylsulfonyl)phenyl]methylene-indolin-2-one derivatives as novel COX-1/2 and 5-LOX inhibitors. Bioorg Med Chem Lett. 2010 Dec 15;20(24):7349-53.
REF 33 Synthesis and antiinflammatory/analgesic activities of 11H-dibenzo[b, e,][1,4]dioxepinacetic acids. J Med Chem. 1986 Aug;29(8):1436-41.
REF 34 New cyclooxygenase-2/5-lipoxygenase inhibitors. 2. 7-tert-butyl-2,3-dihydro-3,3-dimethylbenzofuran derivatives as gastrointestinal safe antiinflamm... J Med Chem. 1998 Mar 26;41(7):1124-37.
REF 35 Covalent modification of cyclooxygenase-2 (COX-2) by 2-acetoxyphenyl alkyl sulfides, a new class of selective COX-2 inactivators. J Med Chem. 1998 Nov 19;41(24):4800-18.
REF 36 Review article: mechanisms of action of mesalazine in preventing colorectal carcinoma in inflammatory bowel disease. Aliment Pharmacol Ther. 2003 Sep;18 Suppl 2:10-4.
REF 37 Evolution of nonsteroidal anti-inflammatory drugs (NSAIDs): cyclooxygenase (COX) inhibition and beyond. J Pharm Pharm Sci. 2008 Sep 20;11(2):81s-110s.
REF 38 Potent and selective effects of suprofen on uterine prostaglandin synthesis. Prostaglandins Leukot Med. 1985 Jun;18(3):367-77.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.