Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T02562 | Target Info | |||
| Target Name | Prostaglandin E synthase (PTGES) | ||||
| Synonyms |
p53-induced gene 12 protein; PIG12; PGES; PGE synthase; P53-induced apoptosis protein 12; Microsomal prostaglandin E synthase 1; Microsomal glutathione S-transferase 1-like 1; MPGES1; MPGES-1; MGST1L1; MGST1-L1
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| Target Type | Clinical trial Target | ||||
| Gene Name | PTGES | ||||
| Biochemical Class | Intramolecular oxidoreductase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 29 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Sulindac
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Approved | Compound Info | ||
| Synonyms |
Aclin; Aflodac; Arthrobid; Arthrocine; Chibret; Clinoril; Copal; Copals; Kenalin; Klinoril; Mobilin; Sulindaco; Sulindacum; Sulindal; Alphapharm Brand of Sulindac; Apo Sulin; Apotex Brand of Sulindac; Cahill May Roberts Brand of Sulindac; Chemia Brand of Sulindac; Copal resin; Copal rosin varnish; Gum copal; KendrickBrand of Sulindac; Merck Brand of Sulindac; Novo Sundac; Novopharm Brand of Sulindac; Nu Pharm Brand of Sulindac; Nu Sulindac; Resin copal; Sulindac sulfoxide; MK 231; MK231; S 8139; Apo-Sulin; Clinoril (TN); MK-231; Merck Sharp & Dohme Brand of Sulindac; Novo-Sundac; Nu-Pharm Brand of Sulindac; Nu-Sulindac; Sulindaco [INN-Spanish]; Sulindacum [INN-Latin]; Sulindac (JAN/USP/INN); Sulindac [USAN:BAN:INN:JAN]; Z-5-Fluoro-2-methyl-1-[p-(methlsulfinyl)benzylidene]indene-3-acetic acid; Cis-5-Fluoro-2-methyl-1-((p-methylsulfinyl)benzylidene)indene-3-acetic acid; {5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1h-inden-3-yl}acetic acid; Cis-5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid; [(1E)-5-fluoro-2-methyl-1-{[4-(methylsulfinyl)phenyl]methylidene}-1H-inden-3-yl]acetic acid; {(1E)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid; {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid; (E)-(1)-5-Fluoro-2-methyl-1-((4-(methylsulphinyl)phenyl)methylene)-1H-indene-3-acetic acid; (Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid; (Z)-5-Fluoro-2-methyl-1-[[4-(methyl-sulfinyl)phenyl]methylene]-1H-indene-3-acetic acid; (Z)-5-Fluoro-2-methyl-1-[p-(methylsulfinyl)benzylidene]indene-3-acetic acid; 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid; 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid; 2-[6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid; 5-Fluoro-2-methyl-1-((4-(methylsulphinyl)phenyl)methylene)-1H-indene-3-acetic acid
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| Activity |
IC50 = 80000 nM
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[1] | |||
| Compound Name |
N-(2-Methylphenyl)-6-nitro-1,2-benzothiazol-3-amine 1,1-dioxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3288314; ZINC4359575; BDBM50017557; STK751777; AKOS001600259; MCULE-8641465654; EU-0001575; ST51018485; 3-[(2-methylphenyl)amino]-6-nitrobenzo[d]1,2-thiazoline-1,1-dione; N-(2-methylphenyl)-6-nitro-1,2-benzisothiazol-3-amine 1,1-dioxide
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| Activity |
IC50 ~ 50000 nM
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[2] | |||
| Compound Name |
N-(3-Tert-butylphenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3288316; BDBM50017559
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| Activity |
IC50 ~ 50000 nM
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[2] | |||
| Compound Name |
N-[(3-Bromophenyl)methyl]-6-nitro-1,1-dioxo-1,2-benzothiazol-3-imine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3288312; BDBM50017555
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
5-(3-Hydroxypropyl)-2-(2-methoxy-4-hydroxyphenyl)benzofuran
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2147415; 4-[5-(3-hydroxypropyl)-1-benzofuran-2-yl]-3-methoxyphenol; BDBM50391881; Q27137583; 2-(2-Methoxy-4-hydroxyphenyl)benzofuran-5-(1-propanol); 5-(3-hydroxypropyl)-2-(2'-meth-oxy-4'-hydroxyphenyl) benzofuran
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
N-(3-((1-Benzyl-3-isopropylureido)methyl)phenyl)benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1683194; BDBM50337638
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| Activity |
IC50 ~ 50000 nM
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[4] | |||
| Compound Name |
1-(5-Ethylsulfonyl-1,3-benzoxazol-2-yl)-N-[(1S,3S)-3-(hydroxymethyl)cyclohexyl]piperidine-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391291; BDBM50435051
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| Activity |
IC50 ~ 50000 nM
|
[5] | |||
| Compound Name |
Meso-3,3'-Didemethoxynectandrin B
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2147417; 4-epi-larreatricin; 4-epilarreatricin; BDBM50391885; Q27137586; 4,4'-[(2R,3R,4S,5S)-3,4-dimethyloxolane-2,5-diyl]diphenol; 4,4'-(3beta,4beta-Dimethyltetrahydrofuran-2alpha,5alpha-diyl)bis(phenol); 4-[(2S,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyl-tetrahydrofuran-2-yl]phenol
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| Activity |
IC50 ~ 50000 nM
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[3] | |||
| Compound Name |
N-(1,3-Benzodioxol-4-yl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3288321; BDBM50017564
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| Activity |
IC50 ~ 50000 nM
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[2] | |||
| Compound Name |
6-Nitro-1,1-dioxo-N-(3-phenylphenyl)-1,2-benzothiazol-3-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3288318; BDBM50017561
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
1-[6-Acetyl-2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazol-9-yl]ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL565831; BDBM50302410; 1,1''-(2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole-6,9-diyl)diethanone
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| Activity |
IC50 ~ 50000 nM
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[6] | |||
| Compound Name |
1-[5-Chloro-6-(4-chlorophenyl)-2-benzoxazolyl]-N-[(1S,3S)-3-(hydroxymethyl)cyclohexyl]-4-piperidinecarboxamide
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Investigative | Compound Info | ||
| Synonyms |
PF-4693627; CHEMBL2325079; PF 4693627; SCHEMBL2031399; BDBM50426967; ZINC72315303; NCGC00386681-01; NCGC00386681-02; HY-125415; CS-0091336; PF 04693627
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| Activity |
IC50 ~ 50000 nM
|
[5] | |||
| Compound Name |
2-[4-[[(1S,3S)-3-(Hydroxymethyl)cyclohexyl]carbamoyl]piperidin-1-yl]-1,3-benzoxazole-5-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391292; BDBM50435050
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| Activity |
IC50 ~ 50000 nM
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[5] | |||
| Compound Name |
N-(3,4-Dimethoxyphenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3288311; BDBM50017554
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| Activity |
IC50 ~ 50000 nM
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[2] | |||
| Compound Name |
(-)-Larreatricin
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2147416; BDBM50391882; Q27137584; 4,4'-[(2S,3R,4S,5S)-3,4-dimethyloxolane-2,5-diyl]diphenol; 4,4'-[(3beta,4beta-Dimethyltetrahydrofuran)-2alpha,5beta-diyl]bisphenol
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| Activity |
IC50 ~ 50000 nM
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[3] | |||
| Compound Name |
N-(5-Bromonaphthalen-1-yl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3288320; BDBM50017563
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| Activity |
IC50 ~ 50000 nM
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[2] | |||
| Compound Name |
6-Nitro-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,2-benzothiazol-3-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3288315; BDBM50017558
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
4-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-phenylbutan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2336490; ZINC3369274; BDBM50430915; AKOS033666446; MCULE-1461256785; AB00980347-01; Z19223042
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| Activity |
IC50 = 50800 nM
|
[7] | |||
| Compound Name |
2-{[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-5-nitrophenyl)acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2336510; ZINC869059; BDBM50430894; STK125640; AKOS000371745; MCULE-5621388234; ST50257797; 2-[4-methyl-5-(2-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-methyl-5-nitrophe nyl)acetamide
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| Activity |
IC50 = 54500 nM
|
[7] | |||
| Compound Name |
Chembl4278385
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Investigative | Compound Info | ||
| Synonyms |
BDBM50468658
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| Activity |
IC50 = 58800 nM
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[8] | |||
| Compound Name |
N-[5-(3,4-Dichlorophenyl)pyridin-2-yl]-4-hydroxy-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1080509; BDBM50313212
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| Activity |
IC50 = 65600 nM
|
[9] | |||
| Compound Name |
2-(2,4-Dichlorophenoxy)-N-[3-(N-{4-nitro-3-methylbenzoyl}ethanehydrazonoyl)phenyl]acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2336945; BDBM50430933; STK452526; AKOS003288808; ST50931539; AK-968/40642261
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| Activity |
IC50 = 66000 nM
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[7] | |||
| Compound Name |
4-Chlorobenzyl 5,6-diphenyl-1,2,4-triazin-3-yl sulfide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2336491; ChemDiv1_021255; HMS647G03; KS-00003AGX; ZINC2381299; BDBM50430914; AKOS000575447; MCULE-7712871029; 5W-0857; 3-((4-Chlorobenzyl)thio)-5,6-diphenyl-1,2,4-triazine; 3-{[(4-chlorophenyl)methyl]sulfanyl}-5,6-diphenyl-1,2,4-triazine
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
N-(2,5-Dimethylphenyl)-2-((7-(p-tolyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl)thio)acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2336511; ZINC9651577; BDBM50430893; AKOS004970427; MCULE-7188705695; F2238-0354
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
(2E,5Z)-5-{3-Bromo-4-[(4-nitrobenzyl)oxy]benzylidene}-3-(4-methoxybenzyl)-2-(phenylimino)-1,3-thiazolidin-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2336946; BDBM50430932; STK153444; AKOS000329176; ZINC150345586; ZINC252605863
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| Activity |
IC50 = 120000 nM
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[7] | |||
| Compound Name |
3-({2-Hydroxy-3,5-bisnitrobenzylidene}amino)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2336947; BDBM50430931; STK670904; AKOS000517914; MCULE-4921932042; AG-205/33687049
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| Activity |
IC50 = 130000 nM
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[7] | |||
| Compound Name |
3-(5-{[3-(2-Anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-furyl)-4-methylbenzoic acid
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Investigative | Compound Info | ||
| Synonyms |
MLS000705088; SMR000231712; CHEMBL1611199; BDBM55037; cid_1232170; HMS2656G04; ZINC1012866; STL379241; AKOS025248844
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| Activity |
IC50 = 160000 nM
|
[7] | |||
| Compound Name |
N-[(E)-(4-Nitrophenyl)methylideneamino]-3,4,5-tris(phenylmethoxy)benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2336948; BDBM50430930
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| Activity |
IC50 = 200000 nM
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[7] | |||
| Compound Name |
2-(4-Bromophenyl)-2-oxoethyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2336949; Oprea1_058512; Oprea1_853058; ZINC2054535; BDBM50430929; STK267804; AKOS001678789; MCULE-2815418898; ST50225561; AG-690/09696025; SR-01000493981; SR-01000493981-1
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| Activity |
IC50 = 200000 nM
|
[7] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 3 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
3-(9-Ethylcarbazol-3-yl)benzo[f]quinoline-1-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2336951; Oprea1_554683; ZINC2164202; BDBM50430890
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| Activity |
IC50 > 200000 nM
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[7] | |||
| Compound Name |
3-(Allylthio)-6-[5-(3-nitrophenyl)-2-furyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2336950; BDBM50430891; AKOS000354618; MCULE-8635689560; EU-0046514
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| Activity |
IC50 > 200000 nM
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[7] | |||
| Compound Name |
1,2-Bis(6-methyl-2,3,4,9-tetrahydro-4aH-carbazolylidene)-1,2-diazaethane
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2336953; BDBM50430888; STK927712; AKOS002242736; ST50753143; (1E,1'E)-1,1'-(1E,2E)-hydrazine-1,2-diylidenebis(6-methyl-2,3,4,9-tetrahydro-1H-carbazole)
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| Activity |
IC50 > 200000 nM
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[7] | |||
| References | Top | ||||
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| REF 1 | Novel human mPGES-1 inhibitors identified through structure-based virtual screening. Bioorg Med Chem. 2011 Oct 15;19(20):6077-86. | ||||
| REF 2 | Benzo[d]isothiazole 1,1-dioxide derivatives as dual functional inhibitors of 5-lipoxygenase and microsomal prostaglandin E(2) synthase-1. Bioorg Med Chem Lett. 2014 Jun 15;24(12):2764-7. | ||||
| REF 3 | Lignan derivatives from Krameria lappacea roots inhibit acute inflammation in vivo and pro-inflammatory mediators in vitro. J Nat Prod. 2011 Aug 26;74(8):1779-86. | ||||
| REF 4 | Trisubstituted ureas as potent and selective mPGES-1 inhibitors. Bioorg Med Chem Lett. 2011 Mar 1;21(5):1488-92. | ||||
| REF 5 | Discovery and SAR of PF-4693627, a potent, selective and orally bioavailable mPGES-1 inhibitor for the potential treatment of inflammation. Bioorg Med Chem Lett. 2013 Feb 15;23(4):1114-9. | ||||
| REF 6 | Discovery of disubstituted phenanthrene imidazoles as potent, selective and orally active mPGES-1 inhibitors. Bioorg Med Chem Lett. 2009 Oct 15;19(20):5837-41. | ||||
| REF 7 | Discovery of highly potent microsomal prostaglandin e2 synthase 1 inhibitors using the active conformation structural model and virtual screen. J Med Chem. 2013 Apr 25;56(8):3296-309. | ||||
| REF 8 | Structural insight into the optimization of ethyl 5-hydroxybenzo[g]indol-3-carboxylates and their bioisosteric analogues as 5-LO/m-PGES-1 dual inhibitors able to suppress inflammation. Eur J Med Chem. 2018 Jul 15;155:946-960. | ||||
| REF 9 | Selective inducible microsomal prostaglandin E(2) synthase-1 (mPGES-1) inhibitors derived from an oxicam template. Bioorg Med Chem Lett. 2010 Mar 1;20(5):1604-9. | ||||
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