Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T03403 | Target Info | |||
| Target Name | Prostaglandin G/H synthase (COX) | ||||
| Synonyms |
Prostaglandin-endoperoxide synthase; Prostaglandin H2 synthase; PHS; PGHS; PGH synthase; Cyclooxygenase; COX
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| Target Type | Successful Target | ||||
| Gene Name | PTGS1; PTGS2 | ||||
| Biochemical Class | Paired donor oxygen oxidoreductase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 24 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
E-3040
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|
Discontinued in Phase 2 | Compound Info | ||
| Synonyms |
E-3040; E 3040; CHEMBL105139; 145096-30-6; E3040; AC1L9EDQ; CHEBI:4732; 6-Hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)benzothiazole; SCHEMBL6009376; DTXSID80162877; CHEBI:271098; 5,7-Dimethyl-2-(methylamino)-4-(3-pyridinylmethyl)-6-benzothiazolol; BDBM50037037; 6-Benzothiazolol, 5,7-dimethyl-2-(methylamino)-4-(3-pyridinylmethyl)-; C11593; L001447; 5,7-Dimethyl-2-methylamino-4-pyridin-3-ylmethyl-benzothiazol-6-ol; 6-hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl) benzothiazole
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
BW755C
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Terminated | Compound Info | ||
| Synonyms |
BW755C; 66000-40-6; BW-755C; UNII-6V6JF56BXO; 6V6JF56BXO; CHEMBL274642; 4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine; 1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazol-3-amine; 1-(3-trifluoromethylphenyl)-4,5-dihydro-1H-pyrazol-3-amine; 1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine; 4,5-DIHYDRO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOL-3-AMINE; 1-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-pyrazol-3-amine; BW 755C; EINECS 266-051-8; AC1L2IRR; SCHEMBL2573191; CTK5C3353; DTXSID30216213
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| Activity |
IC50 = 97000 nM
|
[2] | |||
| Compound Name |
Benzyl-(2-pyridin-3-yl-quinazolin-4-yl)-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL119841; AC1LDIC6; Benzyl-(2-pyridin-3-yl-quinazolin-4-yl)-amine; Oprea1_641196; MLS001163907; cid_667555; ZINC5903; SCHEMBL7286130; MolPort-002-565-372; HMS2878H17; PCOP-956263; BDBM50033284; STK536221; NCGC00012858; AKOS001104531; MCULE-1376892352; NCGC00012858-02; SMR000539306; benzyl(2-(3-pyridyl)quinazolin-4-yl)amine; N-benzyl-2-pyridin-3-ylquinazolin-4-amine; N-Benzyl-2-(3-pyridinyl)quinazolin-4-amine; ST50015136; N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
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| Activity |
IC50 = 50000 nM
|
[3] | |||
| Compound Name |
Benzyl-(2-imidazol-1-yl-quinazolin-4-yl)-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL118944; Benzyl-(2-imidazol-1-yl-quinazolin-4-yl)-amine; SCHEMBL7280806; FNTPEBIGZTYDQK-UHFFFAOYSA-N; BDBM50033290; 4-Phenylmethylamino-2-(1-Imidazolyl)Quinazoline
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| Activity |
IC50 = 51000 nM
|
[3] | |||
| Compound Name |
PHENIDONE
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Investigative | Compound Info | ||
| Synonyms |
Phenidone; 92-43-3; 1-phenylpyrazolidin-3-one; 1-Phenyl-3-pyrazolidone; 1-PHENYL-3-PYRAZOLIDINONE; Fenidon; 3-Pyrazolidinone, 1-phenyl-; 1-Phenyl-3-oxopyrazolidine; 2-Pyrazolin-3-ol, 1-phenyl-; 1-P-3-P; Pyrazolidinone, 1-phenyl-; 1-Phenyl-pyrazolidin-3-one; UNII-H0U5612P6K; CCRIS 3624; 1-Phenylpyrazolid-3-one; EINECS 202-155-1; NSC 30306; 3-Pyrazolidinone,1-phenyl-; CHEMBL7660; 1-phenyl-4,5-dihydro-1H-pyrazol-3-ol; MLS002639322; CMCWWLVWPDLCRM-UHFFFAOYSA-N; H0U5612P6K; MFCD00003094; Phenidone A (1-Phenyl-3-pyrazolidinone)
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| Activity |
IC50 = 94000 nM
|
[2] | |||
| Compound Name |
BUTEIN
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Investigative | Compound Info | ||
| Synonyms |
butein; 487-52-5; 2',3,4,4'-Tetrahydroxychalcone; 3,4,2',4'-Tetrahydroxychalcone; 2',4',3,4-Tetrahydroxychalcone; UNII-4WVS5M0LGF; EINECS 207-659-5; 4WVS5M0LGF; (E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one; CHEMBL128000; CHEBI:3237; (2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one; 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one; ,3,4-Tetrahydroxychalcone; Chalcone, 2',3,4,4'-tetrahydroxy- (7CI,8CI); Acrylophenone, 2',4'-dihydroxy-3-(3,4-dihy
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| Activity |
IC50 = 120000 nM
|
[4] | |||
| Compound Name |
1-((2-Methylphenyl)methyl)-1h-pyrrole-2,5-dione
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Investigative | Compound Info | ||
| Synonyms |
1-[(2-methylphenyl)methyl]pyrrole-2,5-dione; CHEMBL298573; 1-(2-Methylbenzyl)-1H-pyrrole-2,5-dione; 1H-Pyrrole-2,5-dione,1-[(2-methylphenyl)methyl]-; 1-[(2-Methylphenyl)methyl]-1H-pyrrole-2,5-dione; ACMC-20mzos; SCHEMBL720414; 1H-Pyrrole-2,5-dione, 1-[(2-methylphenyl)methyl]-; CTK4C2226; ZINC20200; DTXSID80390673; BDBM50471011; MFCD00941271; N-((2-Methylphenyl)methyl)maleimide; AKOS004115367; FT-0605457
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| Activity |
IC50 = 50000 nM
|
[5] | |||
| Compound Name |
(E)-3-(4-Hydroxy-3-methoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
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Investigative | Compound Info | ||
| Synonyms |
2',4-Dihydroxy-3-methoxychalcone; CHEMBL130640; 4,2'-DIHYDROXY-3-METHOXYCHALCONE; (2E)-3-(4-hydroxy-3-methoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one; SCHEMBL3396591; 2',4-dihydroxy-3-methoxy-chalcone; ZINC4252576; BDBM50042983; MFCD03788903; NSC 94615; 2',4-Dihydroxy-3-methoxychalcone, 97%; AS-72458; ST50331406; Y1975; 4,2'-Dihydroxy-3-methoxychalcone, AldrichCPR; AG-690/15427086; 3-(4-Hydroxy-3-methoxy-phenyl)-1-(2-hydroxy-phenyl)-propenone; 3-(4-hydroxy-3-methoxyphenyl)-1-(2-hydroxyphenyl)-2-propen-1-one; 2-Propen-1-one, 3-(4-hydroxy-3-methoxyphenyl)-1-(2-hydroxyphenyl)-
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| Activity |
IC50 = 63000 nM
|
[4] | |||
| Compound Name |
2'-Chloro-3,4-dihydroxychalcone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL128012; BDBM50042975; ZINC13834197; 1-(2-Chloro-phenyl)-3-(3,4-dihydroxy-phenyl)-propenone; (E)-1-(2-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
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| Activity |
IC50 = 71000 nM
|
[4] | |||
| Compound Name |
2-[(3-Pyridinylmethyl)amino]-4,5,7-trimethylbenzothiazol-6-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL102243; SCHEMBL8792869; CTK8G9787; BDBM50037049; L007647; 4,5,7-trimethyl-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol; 4,5,7-Trimethyl-2-[(pyridin-3-ylmethyl)-amino]-benzothiazol-6-ol
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
4,7-Dimethyl-2-[(3-pyridinylmethyl)amino]-1,3-benzothiazol-6-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL320394; SCHEMBL8792447; ZINC7872; BDBM50037052; L007648; 2-[(3-Pyridinylmethyl)amino]-4,7-dimethylbenzothiazol-6-ol; 4,7-dimethyl-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol; 4,7-Dimethyl-2-[(pyridin-3-ylmethyl)-amino]-benzothiazol-6-ol
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-(Ethylamino)-4,5-dimethyl-7-(3-pyridinylmethyl)-1,3-benzothiazol-6-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL105386; SCHEMBL8793133; ZINC7874; CTK8G9790; BDBM50037043; L007650; 2-Ethylamino-4,5-dimethyl-7-(3-pyridinylmethyl)benzothiazol-6-ol; 2-Ethylamino-4,5-dimethyl-7-pyridin-3-ylmethyl-benzothiazol-6-ol; 2-(ETHYLAMINO)-4,5-DIMETHYL-7-(PYRIDIN-3-YLMETHYL)-1,3-BENZOTHIAZOL-6-OL
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-Amino-4,5-dimethyl-7-pyridin-3-ylmethyl-benzothiazol-6-ol; dihydrochloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL540301; SCHEMBL8792549; CHEMBL3216177; BDBM50037047
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
7-Ethyl-5-methoxy-2-(methylamino)-4-(3-pyridinylmethyl)-1,3-benzothiazol-6-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL104156; CTK5E2884; DTXSID00434689; BDBM50037048; ZINC26835731; 2-Methylamino-4-(3-pyridinylmethyl)-5-methoxy-7-ethylbenzothiazol-6-ol; 6-Benzothiazolol,7-ethyl-5-methoxy-2-(methylamino)-4-(3-pyridinylmethyl)-; 7-Ethyl-5-methoxy-2-methylamino-4-pyridin-3-ylmethyl-benzothiazol-6-ol
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-Amino-5-methoxy-7-methyl-4-pyridin-3-ylmethyl-benzothiazol-6-ol; dihydrochloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL543149; SCHEMBL8793596; CHEMBL3216618; BDBM50037046
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
4,7-Dimethyl-2-methylamino-5-pyridin-3-ylmethyl-benzothiazol-6-ol; dihydrochloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL543150; CHEMBL3215733; BDBM50037053
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
1,1-Diethyl-3-{2-hydroxy-2-[3-(quinolin-2-ylmethoxy)-phenyl]-ethyl}-3-methyl-urea
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL417968; WY-47120; SCHEMBL10555553; BDBM50006822
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
2-[(3-Pyridinylmethyl)amino]-5,7-dimethoxybenzothiazol-6-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL420281; SCHEMBL8792592; BDBM50037036; L007646; 5,7-dimethoxy-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol; 5,7-Dimethoxy-2-[(pyridin-3-ylmethyl)-amino]-benzothiazol-6-ol
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
(5R)-3-Methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazolidin-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2115108; BDBM50405505
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|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
2-Ethylamino-5,7-dimethyl-4-pyridin-3-ylmethyl-benzothiazol-6-ol; dihydrochloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL544571; SCHEMBL8792516; CHEMBL3217077; BDBM50037040
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
5,7-Dimethyl-2-propylamino-4-pyridin-3-ylmethyl-benzothiazol-6-ol; dihydrochloride
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL543158; SCHEMBL8794394; CHEMBL3215555; BDBM50037051
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-(Ethylamino)-4,7-dimethyl-5-(3-pyridinylmethyl)-1,3-benzothiazol-6-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL105587; SCHEMBL8793615; ZINC7873; CTK8G9789; BDBM50037038; L007649; 2-Ethylamino-4,7-dimethyl-5-(3-pyridinylmethyl)benzothiazol-6-ol; 2-Ethylamino-4,7-dimethyl-5-pyridin-3-ylmethyl-benzothiazol-6-ol; 2-(ETHYLAMINO)-4,7-DIMETHYL-5-(PYRIDIN-3-YLMETHYL)-1,3-BENZOTHIAZOL-6-OL
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
Isoliquiritigenin
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|
Investigative | Compound Info | ||
| Synonyms |
2',4,4'-Trihydroxychalcone; 4,2',4'-Trihydroxychalcone; 6'-deoxychalcone; 2',4',4-Trihydroxychalcone; isoliquirtigenin; UNII-B9CTI9GB8F; C15H12O4; Chalcone, 2',4,4'-trihydroxy-; MFCD00075907; B9CTI9GB8F; 42'4'-trihydroxychalcone; CHEMBL129795; trans-2',4,4'-trihydroxychalcone; GU 17; GU-17; SMR000112969; CCRIS 7676; SR-01000075499; EINECS 237-316-5; BRN 1914295; iso-Liquiritigenin; Isoliquiritigenin/; PubChem21917; Isoliquiritigenin, powder; Spectrum5_000612; Lopac0_000681; BSPBio_003411; 1-08-00-00707 (Beilstein Handbook Reference); MLS000438943; MLS002207240; MLS006010045; BIDD:ER0235; SCHEMBL161168; SPECTRUM1504200; cid_638278; MEGxp0_001326; 2',4,4'-Trihydroxy-Chalcone; DTXSID2022466; 2'',4'',4-trihydroxychalcone; 2'',4,4''-trihydroxychalcone; ACon1_000047; BCPP000201; HMS2233H18; HMS3262I03; 2,4''-dihydroxy-4-hydroxychalcone; BCP02312; HY-N0102; ZINC3869608; Tox21_500681; ABP000708; BDBM50042944; CCG-40334; CI0036; CMLD3_000056; LMPK12120096; s2404; SBB066136; 2',4,4'-Trihydroxychalcone, 97%; Isoliquiritigenin, analytical standard; AKOS001590146; BCP9000795; CS-1745; DB03285; KS-5256; LP00681; MCULE-1557671934; SDCCGMLS-0066751.P001; SDCCGSBI-0050660.P004; NCGC00090504-01; NCGC00090504-02; NCGC00090504-03; NCGC00090504-04; NCGC00090504-05; NCGC00090504-06; NCGC00090504-07; NCGC00090504-08; NCGC00090504-24; NCGC00261366-01; ST081356; AB0000350; EU-0100681; I0822; N1288; SW219658-1; C08650; I 3766; M-1539; 961I295; A845551; NCGC00090504-04!2',4,4'-Trihydroxychalcone; 2',4'-Dihydroxy-3-(p-hydroxyphenyl)-Acrylophenone; Q-100904; Q3155537; SR-01000075499-1; SR-01000075499-5; BRD-K33583600-001-03-9; BRD-K33583600-001-04-7
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| Activity |
IC50 = 130000 nM
|
[4] | |||
| Compound Name |
12-(2,5-Dioxopyrrol-1-yl)dodecanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL46088; SCHEMBL6940132; BDBM50471008; 2,5-Dioxo-3-pyrroline-1-dodecanoic acid
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| Activity |
IC50 = 140000 nM
|
[5] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 39 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Romazarit
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Preclinical | Compound Info | ||
| Synonyms |
ORE-5007; Metabolic modulator (obesity/hyperlipidemia), Ore Pharmaceuticals
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| Activity |
IC50 = 6500000 nM
|
[7] | |||
| Compound Name |
2-(2-(2-chlorophenylamino)phenyl)acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL77823; 488862-17-5; 2-(2-(2-chlorophenylamino)phenyl)acetic acid; SCHEMBL6243911; CTK1D1110; DTXSID00548437; RXRLPBIKRNGLJD-UHFFFAOYSA-N; ZINC26400000; BDBM50295275; AKOS030583290; [2-(2-Chloroanilino)phenyl]acetic acid; 2-(2-Chlorophenylamino)benzeneacetic acid; 2-[(2-chlorophenyl)amino]phenylacetic acid; Benzeneacetic acid, 2-[(chlorophenyl)amino]-; [2-(2-Chloro-phenylamino)-phenyl]-acetic acid
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| Activity |
IC50 = 4897788.19 nM
|
[8] | |||
| Compound Name |
2-(2-(2,5-dichlorophenylamino)phenyl)acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL77981; 2-(2-(2,5-dichlorophenylamino)phenyl)acetic acid; SCHEMBL7166052; JSJQNYIFLKCXRE-UHFFFAOYSA-N; ZINC13809288; BDBM50090679; 2-(2,5-Dichloroanilino)benzeneacetic acid; 2-[(2,5-dichlorophenyl)amino]phenylacetic acid; [2-(2,5-Dichloro-phenylamino)-phenyl]-acetic acid
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| Activity |
IC50 = 10000000 nM
|
[8] | |||
| Compound Name |
2-(2-(2,6-dimethylphenylamino)phenyl)acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL76154; SCHEMBL6239733; CTK8H7205; ICJTVRXTYOYEOT-UHFFFAOYSA-N; BDBM50375601; ZINC26399260; 2-(2,6-Dimethylanilino)benzeneacetic acid; 2-[(2,6-dimethylphenyl]amino]phenylacetic acid; 2-[(2,6-dimethylphenyl] amino] phenylacetic acid
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| Activity |
IC50 = 165958690.7 nM
|
[8] | |||
| Compound Name |
2-[2-(2,5-Dioxopyrrol-1-yl)ethoxy]benzoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL50011; BDBM50471019
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| Activity |
IC50 = 250000 nM
|
[5] | |||
| Compound Name |
2-Carboxy-5-Maleimidophenyl Acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL47576; 2-acetyloxy-4-(2,5-dioxopyrrol-1-yl)benzoic Acid; SCHEMBL6655666; BDBM50471020
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| Activity |
IC50 > 300000 nM
|
[5] | |||
| Compound Name |
5-Hydroxydiclofenac
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Investigative | Compound Info | ||
| Synonyms |
5-hydroxy diclofenac; 5-OH DCF; 2-[2-(2,6-dichloroanilino)-5-hydroxyphenyl]acetic acid; BRN 4199419; 2-(2-((2,6-dichlorophenyl)amino)-5-hydroxyphenyl)acetic acid; UNII-GS38436703; 5-HYDROXY-DICLOFENAC; 2-[(2,6-Dichloroanilino)-5-hydroxyphenyl]acetic acid; Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-5-hydroxy-; Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-5-hydroxy-; GS38436703; {2-[(2,6-dichlorophenyl)amino]-5-hydroxyphenyl}acetic acid; 2-[(2,6-Dichlorophenyl)amino]-5-Hydroxy Benzeneacetic Acid; 2-[2-[[2,6-bis(chloranyl)phenyl]amino]-5-oxidanyl-phenyl]ethanoic acid; (2-(2,6-Dichloroanilino)-5-hydroxyphenyl)acetic acid; 17-iodoheptadecanoicacid; Epitope ID:131807; 5-OH-DCF; 5-OH-DFN; CHEMBL1031; BEN089; SCHEMBL2738864; CTK8F0752; Acetic acid, (2-(2,6-dichloroanilino)-5-hydroxyphenyl)-; DTXSID00219059; BDBM50228744; MFCD01672033; ZINC22060327; AKOS028111700; VZ34478; 5-Hydroxydiclofenac, analytical standard; BS-17449; DB-049914; FT-0669357; A836304; Q27126805; 2-[(2,6-Dichlorophenyl)amino]-5-hydroxybenzeneacetic acid; 2-[(2,6-dichlorophenyl)amino]-5-hydroxy benzene acetic acid; Benzeneacetic acid,2-[(2,6-dichlorophenyl)amino]-5-hydroxy-
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| Activity |
IC50 = 446683.59 nM
|
[8] | |||
| Compound Name |
7-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)heptanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL47645; 1H-Pyrrole-1-heptanoic acid, 2,5-dihydro-2,5-dioxo-; 7-(2,5-dioxopyrrol-1-yl)heptanoic Acid; SCHEMBL3291535; CTK3I2589; DTXSID30441083; ZINC1542864; BDBM50471012; MFCD00941277; AKOS000185608; NE54822; BS-17926; DA-27206; FT-0766338; EN300-75944
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| Activity |
IC50 = 570000 nM
|
[5] | |||
| Compound Name |
6-Maleimidocaproic acid
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Investigative | Compound Info | ||
| Synonyms |
6-Maleimidohexanoic acid; 6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid; 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-; 6-(2,5-dioxopyrrol-1-yl)hexanoic acid; 6-Maleimidocapronic acid; MFCD00043140; Maleimide-(CH2)5-COOH; N-(5-Carboxypentyl)maleimide; CHEMBL47391; N-Maleoyl-6-aminocaproic acid; 1H-Pyrrole-1-hexanoicacid, 2,5-dihydro-2,5-dioxo-; 6-Maleimidocaproicacid; N-maleoyl-6-aminohexanoic acid; PubChem11039; (EMCA); ACMC-209lp4; SCHEMBL43969; (EMCA);6-Maleimidocaproic acid; CTK1G9321; DTXSID10876051; BCP12780; CS-M1809; KS-000006GD; N-(6-oxo-6-hydroxyhexyl)maleimide; ZINC1542863; ANW-32390; BDBM50471014; 6-Maleimidohexanoic acid, 90% (GC); AKOS000139285; GS-6853; LS40007; QC-1056; AC-25055; AK-40212; BP-20415; BR-40212; HY-77959; SC-21010; SY030571; 6-Maleimidohexanoic acid, >=98% (HPLC); AB0018275; DB-052788; AM20100367; FT-0604083; M2338; 6-Maleimidohexanoic acid, >=98.0% (HPLC); A14037; M-2086; 750M533; 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-hexanoic acid; J-518825; 6-[2,5-Dioxo-2,5-dihydro-pyrrol-1-yl]hexanoic acid; 6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid #
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||||
| Activity |
IC50 > 800000 nM
|
[5] | |||
| Compound Name |
4',5-Dihydroxydiclofenac
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Investigative | Compound Info | ||
| Synonyms |
4',5-dihydroxy DCF; (2-(2,6-Dichloro-4-hydroxyanilino)-5-hydroxyphenyl)acetic acid; UNII-6US4Q8M8J7; 6US4Q8M8J7; 2-[2-(2,6-dichloro-4-hydroxyanilino)-5-hydroxyphenyl]acetic acid; (2-(2,6-DICHLORO-4-HYDROXY(PHENYLAMINO))-5-HYDROXYPHENYL)ACETIC ACID; {2-[(2,6-dichloro-4-hydroxyphenyl)amino]-5-hydroxyphenyl}acetic acid; BRN 4204964; Acetic acid, (2-(2,6-dichloro-4-hydroxyanilino)-5-hydroxyphenyl)-; Benzeneacetic acid, 2-((2,6-dichloro-4-hydroxyphenyl)amino)-5-hydroxy-; Epitope ID:143246; CHEMBL1032; SCHEMBL7162002; 4'''',5-Dihydroxy-Diclofenac; CTK5C8887; DTXSID70219061; 4',5-DIHYDROXY-DICLOFENAC; 4'',5-DIHYDROXY-DICLOFENAC; BDBM50228770; ZINC26401423; Q27225704; 2-(2-((2,6-Dichloro-4-hydroxyphenyl)amino)-5-hydroxyphenyl)acetic acid; Benzeneacetic acid,2-[(2,6-dichloro-4-hydroxyphenyl)amino]-5-hydroxy-
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||||
| Activity |
IC50 = 912010.84 nM
|
[8] | |||
| Compound Name |
Clobuzarit
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Investigative | Compound Info | ||
| Synonyms |
Clozic; ICI 55,897; UNII-W3D7B06505; 2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoic acid; ICI 55897;Clobuzarit; ICI-55897; W3D7B06505; Clobuzaritum; Clobuzarit [INN:BAN]; Clobuzaritum [INN-Latin]; EINECS 245-035-4; ICI 55897; Propanoic acid, 2-((4'-chloro(1,1'-biphenyl)-4-yl)methoxy)-2-methyl-; SCHEMBL187456; CHEMBL164447; ZINC1179; DTXSID8020335; CTK4E9588; 2-((4'-Chloro-4-biphenylyl)methoxy)-2-methylpropionic acid; 2-{[(4'-chlorobiphenyl-4-yl)methyl]oxy}-2-methylpropanoic acid; BDBM50229180; HY-100142; CS-0018130; Q27292252; 2-[4-(4-chlorophenyl)benzyloxy]-2-methylpropionic acid; 2-[4-(4-chlorophenyl)benzyloxy]-2-methyl-propionic acid; Propanoic acid,2-[(4'-chloro[1,1'-biphenyl]-4-yl)methoxy]-2-methyl-
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||||
| Activity |
IC50 = 950000 nM
|
[7] | |||
| Compound Name |
3'-Hydroxy-4'-methoxydiclofenac
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Investigative | Compound Info | ||
| Synonyms |
UNII-CY7817W711; CY7817W711; 2-[2-(2,6-dichloro-3-hydroxy-4-methoxyanilino)phenyl]acetic acid; {2-[(2,6-dichloro-3-hydroxy-4-methoxyphenyl)amino]phenyl}acetic acid; Epitope ID:143247; CHEMBL1033; SCHEMBL7160787; DTXSID90147675; BDBM50228745; 3'-HYDROXY-4'-METHOXY-DICLOFENAC; 3''''-Hydroxy-4''''-Methoxy-Diclofenac; 3''-HYDROXY-4''-METHOXY-DICLOFENAC; Q27225705
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||||
| Activity |
IC50 = 3388441.56 nM
|
[8] | |||
| Compound Name |
2-Anilinophenylacetic acid
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Investigative | Compound Info | ||
| Synonyms |
2-(2-(phenylamino)phenyl)acetic acid; 2-(2-anilinophenyl)acetic Acid; Benzeneacetic acid, 2-(phenylamino)-; CHEMBL78188; 2-anilino phenylacetic acid; 2-Anilino-phenylacetic acid; PubChem2214; ACMC-20a9fa; (2-Anilinophenyl)acetic acid; SCHEMBL361662; CTK7J2429; DTXSID20357543; ZINC403523; (2-Phenylamino-phenyl)-acetic acid; 2-[(phenyl)amino]phenylacetic acid; 2-ANILINO PHENYL ACETIC ACID; ANW-63140; BDBM50295277; MFCD03265448; AKOS015892915; AB13923; CS-W013007; AC-26746; AS-19747; SC-46444; BENZENEACETIC ACID,2-(PHENYLAMINO)-; DB-020549; AM20041046; FT-0641270; Y6546
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||||
| Activity |
IC50 = 3467368.5 nM
|
[8] | |||
| Compound Name |
2-(2,6-Difluorophenylamino)benzeneacetic acid sodium salt
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL75296; BDBM50228736
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||||
| Activity |
IC50 = 4365158.32 nM
|
[8] | |||
| Compound Name |
Sodium;2-[2-(2,6-dichloroanilino)-6-hydroxyphenyl]acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL77914; BDBM50228757
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||||
| Activity |
IC50 = 4677351.41 nM
|
[8] | |||
| Compound Name |
2-[(3,4-Dichlorophenyl)amino]phenylacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL76657; SCHEMBL6240532; DTXSID20877397; BDBM50228746; ZINC26395699; 2-(3,4-Dichlorophenylamino)benzeneacetic acid; 2-[2-(3,4-dichloroanilino)phenyl]acetic acid; 2-((3,4-Dichlorophenyl)amino)benzeneacetic acid; PHENYLACETIC ACID,2-(3',4'-DICHLORO)ANILINO
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||||
| Activity |
IC50 = 7079457.84 nM
|
[8] | |||
| Compound Name |
4'-Hydroxydiclofenac
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Investigative | Compound Info | ||
| Synonyms |
4'-Hydroxy Diclofenac; 4-hydroxy diclofenac; (o-(2,6-Dichloro-4-hydroxyanilino)phenyl)acetic acid; UNII-NJF5O599EF; 4'-OH DCF; {2-[(2,6-dichloro-4-hydroxyphenyl)amino]phenyl}acetic acid; 4`-Hydroxy Diclofenac; NJF5O599EF; 2-[2-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acid; 2-[(2,6-Dichloro-4-hydroxyphenyl)amino]benzeneacetic Acid; 4'-OHD; BRN 4198042; 2-(2-((2,6-Dichloro-4-hydroxyphenyl)amino)phenyl)acetic acid; 2-{2-[(2,6-dichloro-4-hydroxyphenyl)amino]phenyl}acetic acid; Benzeneacetic acid, 2-((2,6-dichloro-4-hydroxyphenyl)amino)-; 4`-hydroxydiclofenac; Epitope ID:131806; 4''''-Hydroxy-Diclofenac; CHEMBL1030; 4'-Hydroxydiclofenac solution; 4'-HYDROXY-DICLOFENAC; SCHEMBL155743; 4''-HYDROXY-DICLOFENAC; CTK8D7304; Acetic acid, (o-(2,6-dichloro-4-hydroxyanilino)phenyl)-; DTXSID40214326; BCP15192; ZINC2383046; 1412AH; BDBM50228767; MFCD01671980; 4'-Hydroxydiclofenac, >=98% (HPLC); HY-15550; CS-0007019; FT-0669355; FT-0669356; Q26690136; 4'-Hydroxydiclofenac, VETRANAL(TM), analytical standard; 2-[(2,6-Dichloro-4'-hydroxyphenyl)amino]benzeneacetic acid; 2-[(2,6-dichloro-4-hydroxyphenyl)amino]phenylacetic acid; 2-(2-(2,6-dichloro-4-hydroxyphenylamino)phenyl)acetic acid; 2-[((2,6-DICHLORO-4-HYDROXY)PHENYL)AMINO]BENZENEACETICACID
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||||
| Activity |
IC50 = 7079457.84 nM
|
[8] | |||
| Compound Name |
2-(2,4-Difluorophenylamino)benzeneacetic acid sodium salt
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL77245; BDBM50228739
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| Activity |
IC50 = 9772372.21 nM
|
[8] | |||
| Compound Name |
Benzeneacetic acid, 2-[(3,5-dichlorophenyl)amino]-
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL309569; ACMC-20msky; 2-[2-(3,5-dichloroanilino)phenyl]acetic acid; SCHEMBL7162217; CTK0C1853; DTXSID10440493; BDBM50228734; ZINC13558633; [2-(3,5-Dichloroanilino)phenyl]acetic acid; 2-[(3,5-dichlorophenyl)amino]phenylacetic acid
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||||
| Activity |
IC50 = 12589254.12 nM
|
[8] | |||
| Compound Name |
2-[(2,6-Dichloro-3-methoxy-4-hydroxyphenyl)amino]phenylacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL75976; SCHEMBL7161922; BDBM50228737; 2-(2,6-Dichloro-4-hydroxy-3-methoxyphenylamino)benzeneacetic acid; 2-[2-(2,6-dichloro-4-hydroxy-3-methoxyanilino)phenyl]acetic acid; 2-[(2,6-dichloro-3-methoxy-4-hydroxyphenyl) amino]phenylacetic acid
Click to Show/Hide
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||||
| Activity |
IC50 = 13803842.65 nM
|
[8] | |||
| Compound Name |
2-[(2,4-Dichlorophenyl)amino]phenylacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL310696; SCHEMBL6241965; BDBM50228768; ZINC26403277; 2-(2,4-Dichlorophenylamino)benzeneacetic acid; 2-[2-(2,4-dichloroanilino)phenyl]acetic acid
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| Activity |
IC50 = 14125375.45 nM
|
[8] | |||
| Compound Name |
2-[(2,6-Diethylphenyl)amino]phenylacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL76151; SCHEMBL7164856; BDBM50228749; ZINC26403266; 2-(2,6-Diethylphenylamino)benzeneacetic acid; 2-[2-(2,6-diethylanilino)phenyl]acetic acid
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||||
| Activity |
IC50 = 14791083.88 nM
|
[8] | |||
| Compound Name |
5-Chloro-2-(2,3,5,6-tetramethylphenylamino)benzeneacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL75754; SCHEMBL7160821; BDBM50228752
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| Activity |
IC50 = 15135612.48 nM
|
[8] | |||
| Compound Name |
2-(2-Chloro-6-fluorophenylamino)benzeneacetic acid sodium salt
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL76818; BDBM50228738
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||||
| Activity |
IC50 = 17782794.1 nM
|
[8] | |||
| Compound Name |
2-[(2-Chloro-3-methylphenyl)amino]phenylacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL449952; SCHEMBL1032123; BDBM50228743; ZINC26402943; 2-(2-Chloro-3-methylphenylamino)benzeneacetic acid; 2-[2-(2-chloro-3-methylanilino)phenyl]acetic acid
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||||
| Activity |
IC50 = 50118723.36 nM
|
[8] | |||
| Compound Name |
6-Bromo-2-(2,6-dichlorophenylamino)benzeneacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL77731; SCHEMBL7160794; BDBM50228769
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||||
| Activity |
IC50 = 66069344.8 nM
|
[8] | |||
| Compound Name |
2-(2,6-Dichloro-3-methylphenylamino)benzeneacetic acid sodium salt
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL75811; SCHEMBL8817738; BDBM50228765
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||||
| Activity |
IC50 = 70794578.44 nM
|
[8] | |||
| Compound Name |
2-(3-Chloro-2-methylphenylamino)benzeneacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL77576; SCHEMBL7164972; CTK8I4991; DTXSID50877724; BDBM50228741; ZINC26397171; 2-[2-(3-chloro-2-methylanilino)phenyl]acetic acid; PHENYLACETIC ACID,2-(2'-ME-3'-CL)ANILINO
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||||
| Activity |
IC50 = 91201083.94 nM
|
[8] | |||
| Compound Name |
[2-(2,6-Dichloro-3-methoxyanilino)phenyl]acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL76300; Benzeneacetic acid, 2-[(2,6-dichloro-3-methoxyphenyl)amino]-; ACMC-20mskx; SCHEMBL7166342; CTK0C1854; DTXSID20563748; BDBM50228748; 2-(2,6-Dichloro-3-methoxyphenylamino)benzeneacetic acid; 2-[2-(2,6-dichloro-3-methoxyanilino)phenyl]acetic acid
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| Activity |
IC50 = 91201083.94 nM
|
[8] | |||
| Compound Name |
3'-Hydroxydiclofenac
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Investigative | Compound Info | ||
| Synonyms |
(o-(2,6-Dichloro-3-hydroxyanilino)phenyl)acetic acid; 3'-OH DCF; UNII-8489I2R79K; {2-[(2,6-dichloro-3-hydroxyphenyl)amino]phenyl}acetic acid; 2-[2-(2,6-dichloro-3-hydroxyanilino)phenyl]acetic acid; 8489I2R79K; Benzeneacetic acid, 2-((2,6-dichloro-3-hydroxyphenyl)amino)-; Benzeneacetic acid, 2-[(2,6-dichloro-3-hydroxyphenyl)amino]-; BRN 4199302; Acetic acid, (o-(2,6-dichloro-3-hydroxyanilino)phenyl)-; Epitope ID:143245; 3''''-Hydroxy-Diclofenac; CHEMBL1035; 3'-HYDROXY-DICLOFENAC; SCHEMBL7169236; 3''-HYDROXY-DICLOFENAC; DTXSID10219060; ZINC6095281; BDBM50228763; FT-0760952; Q27225706; 2-{2-[(2,6-dichloro-3-hydroxyphenyl)amino]phenyl}acetic acid
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| Activity |
IC50 = 100000000 nM
|
[8] | |||
| Compound Name |
2-[(2,3-Dichlorophenyl)amino]phenylacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL306994; 2-[2-(2,3-dichloroanilino)phenyl]acetic acid; SCHEMBL6258193; DTXSID00877395; BDBM50228740; ZINC26399257; 2-(2,3-Dichlorophenylamino)benzeneacetic acid; 2-((2,3-Dichlorophenyl)amino)benzeneacetic acid; PHENYLACETIC ACID,2-(2',3'-DICHLORO)ANILINO
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| Activity |
IC50 = 100000000 nM
|
[8] | |||
| Compound Name |
2-(2,3,5,6-Tetramethylphenylamino)benzeneacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL308378; BDBM50228735; ZINC26393844
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| Activity |
IC50 = 165958690.7 nM
|
[8] | |||
| Compound Name |
2-(2-Chloro-6-iodophenylamino)benzeneacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL76372; BDBM50228750; ZINC26404054
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| Activity |
IC50 = 501187233.6 nM
|
[8] | |||
| Compound Name |
[2-(2,3-Dimethylanilino)phenyl]acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL308821; SCHEMBL7162418; CTK1I4324; DTXSID60563747; BDBM50228766; ZINC26402411; 2-(2,3-Dimethylphenylamino)benzeneacetic acid; 2-[2-(2,3-dimethylanilino)phenyl]acetic acid; 2-[(2,3-dimethylphenyl)amino]phenylacetic acid; Benzeneacetic acid, 2-[(2,3-dimethylphenyl)amino]-
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| Activity |
IC50 = 501187233.6 nM
|
[8] | |||
| Compound Name |
Sodium [2-(2-bromo-6-chloroanilino)phenyl]acetate
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Investigative | Compound Info | ||
| Synonyms |
Diclofenac Monobromo Sodium Salt Impurity; CHEMBL308266; sodium;2-[2-(2-bromo-6-chloroanilino)phenyl]acetate; DTXSID50635563; BDBM50228759; Diclofenac Impurity D (Sodium Salt); FT-0666646; J-005543; Sodium 2-[2-[(2-Bromo-6-chlorophenyl)amino]phenyl]acetate; 2-(2-Bromo-6-chlorophenylamino)benzeneacetic acid sodium salt; 2-(2-Bromo-6-chlorophenyl)amino)-phenylacetic acid sodium salt 95%
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| Activity |
IC50 = 524807460.3 nM
|
[8] | |||
| Compound Name |
5-Fluoro-2-(2,6-dichloro-4-fluorophenylamino)benzeneacetic acid sodium salt
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL77977; BDBM50228751
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||||
| Activity |
IC50 = 562341325.2 nM
|
[8] | |||
| Compound Name |
5-Fluoro-2-(2,6-dichlorophenylamino)benzeneacetic acid sodium salt
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL76912; BDBM50228733
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| Activity |
IC50 = 741310241.3 nM
|
[8] | |||
| Compound Name |
5-Chloro-2-(2,6-dichlorophenylamino)benzeneacetic acid sodium salt
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL76913; BDBM50228754
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||||
| Activity |
IC50 = 794328234.7 nM
|
[8] | |||
| Compound Name |
2-(2,6-Dichloro-4-fluorophenylamino)benzeneacetic acid sodium salt
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL75858; BDBM50228742
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||||
| Activity |
IC50 = 891250938.1 nM
|
[8] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Novel dual inhibitors of 5-lipoxygenase and thromboxane A2 synthetase: synthesis and structure-activity relationships of 3-pyridylmethyl-substituted 2-amino-6-hydroxybenzothiazole derivatives. J Med Chem. 1994 Sep 16;37(19):3062-70. | ||||
| REF 2 | 1-Phenyl-[2H]-tetrahydropyridazin-3-one, A-53612, a selective orally active 5-lipoxygenase inhibitor. Bioorg Med Chem Lett. 1992 Nov;2(11):1353-6. | ||||
| REF 3 | Discovery of potent cyclic GMP phosphodiesterase inhibitors. 2-Pyridyl- and 2-imidazolylquinazolines possessing cyclic GMP phosphodiesterase and th... J Med Chem. 1995 Sep 1;38(18):3547-57. | ||||
| REF 4 | 3,4-Dihydroxychalcones as potent 5-lipoxygenase and cyclooxygenase inhibitors. J Med Chem. 1993 Nov 26;36(24):3904-9. | ||||
| REF 5 | Design, synthesis, and biochemical evaluation of N-substituted maleimides as inhibitors of prostaglandin endoperoxide synthases. J Med Chem. 1996 Apr 12;39(8):1692-703. | ||||
| REF 6 | Phenylephrine derivatives as leukotriene D4 antagonists. J Med Chem. 1987 Nov;30(11):2087-93. | ||||
| REF 7 | Romazarit: a potential disease-modifying antirheumatic drug. J Med Chem. 1991 Feb;34(2):772-7. | ||||
| REF 8 | QSAR studies on diclofenac analogues as potent cyclooxygenase inhibitors using CoMFA and CoMSIA. Med Chem Res. 2013 Sep 18;23:1789-96. | ||||
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