Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T26623 | Target Info | |||
| Target Name | Aldose reductase (AKR1B1) | ||||
| Synonyms |
Aldehyde reductase; AKR1B1
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| Target Type | Successful Target | ||||
| Gene Name | AKR1B1 | ||||
| Biochemical Class | Short-chain dehydrogenases reductase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 74 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Mefenamic acid
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Approved | Compound Info | ||
| Synonyms |
ApoMefenamic; Bonabol; Contraflam; Coslan; Dysman; Lysalgo; Mefac; Mefacit; Mefedolo; Mefenacid;Mefenamate; Mefenaminsaeure; Mefic; Mycasaal; Namphen; NuMefenamic; Parkemed; Pinalgesic; Ponalar; Ponalgic; Ponmel; Ponstan; Ponstel; Ponstil; Ponstyl; Ponsyl; Pontal; Rolan; Tanston; Vialidon; APS Brand of Mefenamic Acid; Acide mefenamique; Acide mefenamique [French]; Acido mefenamico; Acidum mefenamicum; Antigen Brand of Mefenamic Acid; Apo Mefenamic; Apotex Brand of Mefenamic Acid; Ashbourne Brand of Mefenamic Acid; Chemidex Brand of Mefenamic Acid; Clonmel Brand of Mefenamic Acid; Elan Brand of Mefenamic Acid; Farmasierra Brand of Mefenamic Acid; First Horizon Brand of Mefenamic Acid; Godecke Brand of Mefenamic Acid; Mefanamic acid; Mefenaminic Acid; Mefenaminsaeure [German]; Mephenamic acid; Mephenaminic acid; Methenamic acid; Nu Mefenamic; Nu Pharm Brand of Mefenamic Acid; PMS Mefenamic Acid; Parke Davis Brand of Mefenamic Acid; Pfizer Brand of Mefenamic Acid; Pharmascience Brand of Mefenamic Acid; Pinewood Brand of Mefenamic Acid; Ponstan forte; Rowa Brand of Mefenamic Acid; Tamany Bonsan; Warner Lambert Brand of Mefenamic Acid; CL 473; CN 35355; HL 1; ID8; INF 3355; M1782; AGN-1255; Ac. mefenamico; Ac. mefenamico [Italian]; Acid, Mefenamic; Acid, Mefenaminic; Acide mefenamique [INN-French]; Acido mefenamico [INN-Spanish]; Acidum mefenamicum [INN-Latin]; Apo-Mefenamic; Bafameritin-M; Bafhameritin-M; CN-35355; Dyfenamic (TN); F0850-6853; Forte, Ponstan; INF-3355; In-M; Mafepain (TN); Meftal (TN); Mephadolor (TN); Nu-Mefenamic; Nu-Pharm Brand of Mefenamic Acid; PMS-Mefenamic Acid; Parkemed (TN); Ponstal (TN); Ponstan (TN); Ponstel (TN); Potarlon (TN); Warner-Lambert Brand of Mefenamic Acid; Mefenamic acid (JP15/USP/INN); Mefenamic acid [USAN:INN:BAN:JAN]; N-2,3-Xylylanthranilic acid; N-(2,3-Dimethylphenyl)anthranilic acid; N-(2,3-Xylyl)anthranilic acid; N-(2,3-Xylyl)-2-aminobenzoic acid; 2-((2,3-Dimethylphenyl)amino)benzoic acid; 2-(2,3-Dimethylanilino)benzoic acid; 2-(2,3-Xylidino)benzoic Acid; 2-(2,3-dimethylphenylamino)benzoic acid; 2-[(2,3-dimethylphenyl)amino]benzoic acid
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| Activity |
IC50 = 77000 nM
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[1] | |||
| Compound Name |
Flufenamic Acid
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Approved | Compound Info | ||
| Synonyms |
flufenamic acid; 530-78-9; Fluphenamic acid; Nichisedan; Achless; Arlef; Tecramine; Paraflu; Lanceat; Flufacid; Plostene; Fullsafe; Parlef; Surika; Parlif; Flufenaminsaeure; Reumajust A; Acido flufenamico; N-(3-Trifluoromethylphenyl)anthranilic acid; Ristogen; Sastridex; Meralen; Ansatin; 2-((3-(Trifluoromethyl)phenyl)amino)benzoic acid; Fluore-200; 2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid; ANT-1; Acide flufenamique; Acidum flufenamicum; TVX 916; INF 1837; 3'-Trifluoromethyldiphenylamine-2-carboxylic acid; NSC-82699; CI 440
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| Activity |
IC50 = 100000 nM
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[2] | |||
| Compound Name |
Diclofenac
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Approved | Compound Info | ||
| Synonyms |
Diclofenac (sodium matrix patch, pain)
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| Activity |
IC50 ~ 100000 nM
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[1] | |||
| Compound Name |
Ketoprofen
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Approved | Compound Info | ||
| Synonyms |
Actron; Alrheumat; Alrheumum; Alrheumun; Aneol; Capisten; Dexal; Epatec; Fastum; Kefenid; Ketoprofene; Ketoprofeno; Ketoprofenum; Ketopron; Ketoprophene; Lertus; Menamin; Meprofen; Orudis; Orugesic; Oruvail; Oscorel; Profenid; Toprec; Toprek; Benzoylhydratropic Acid; Orudis KT; K 1751; RP 19583; RP19583; RU 4733; Arthril (TN); Fastum (TN); Fastum Gel (TN); Iso-K; Keto (TN); Ketoflam (TN); Ketomex (TN); Ketonal (TN); Ketoprofenas (TN); Ketoprofene (TN); Ketoprofene [INN-French]; Ketoprofeno [INN-Spanish]; Ketoprofenum (TN); Ketoprofenum [INN-Latin]; Ketorin (TN); Ketospray (TN); Lasonil (TN); M-Benzoylhydratropic acid; Oki (TN); Orudis (TN); Oruvail (TN); RP-19583; Racemic-Ketoprofen; Zon (TN); Bi-Profnid (TN); RP, 19,583; Ketoprofen (JP15/USP/INN); Ketoprofen [USAN:INN:BAN:JAN]; Orudis, Oruvail, Ketoflam, Orudis KT, Ketoprofen; Acide (benzoyl-3-phenyl)-2-propionique; Acide (benzoyl-3-phenyl)-2-propionique [French]; L'Acide (benzoyl-3-phenyl)-2-propionique; (+-)-m-Benzoylhydratropic acid; 2-(3-Benzoylphenyl)propanoic acid; 2-(3-Benzoylphenyl)propionic acid; 2-(m-Benzoylphenyl)propionic acid; 2-[3-(benzoyl)phenyl]propanoic acid; 2-[3-(phenylcarbonyl)phenyl]propanoic acid; 2-[3-Benzoylphenyl]propionic acid; 3-Benzoylhydratropic acid
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| Activity |
IC50 = 180000 nM
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[2] | |||
| Compound Name |
ISOSCOPOLETIN
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Investigative | Compound Info | ||
| Synonyms |
Isoscopoletin; 776-86-3; 6-Hydroxy-7-methoxycoumarin; 6-hydroxy-7-methoxy-2H-chromen-2-one; 7-Methoxyesculetin; Isoscopoletine; 6-hydroxy-7-methoxychromen-2-one; 2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-; 6-hydroxy-7-methoxy-chromen-2-one; CHEMBL390320; CHEBI:81484; iso-scopoletin; 6-Hydroxy-7-methoxy-2-benzopyrone; EINECS 212-282-4; AC1L2CWN; Esculetin 7-methyl ether; Esculetin, 7-methyl ether; AC1Q4EZ0; 6-Hydroxy-7-methylcoumarin; SCHEMBL2790887; AC1Q69W0; CTK7A0381; DTXSID40228266; MolPort-003-927-047
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| Activity |
IC50 = 56200 nM
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[3] | |||
| Compound Name |
esculetin
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Investigative | Compound Info | ||
| Synonyms |
aesculetin; 6,7-dihydroxycoumarin; cichorigenin
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| Activity |
IC50 = 67200 nM
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[3] | |||
| Compound Name |
HERNIARIN
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Investigative | Compound Info | ||
| Synonyms |
7-Methoxycoumarin; Herniarin; 531-59-9; 7-Methoxy-2H-chromen-2-one; Ayapanin; Herniarine; Methylumbelliferone; 7-Methoxy-2H-1-benzopyran-2-one; 7-methoxychromen-2-one; 2H-1-BENZOPYRAN-2-ONE, 7-METHOXY-; Coumarin, 7-methoxy-; METHOXYCOURMARIN, 7-; Herniarin (6CI); Methyl umbelliferyl ether; UNII-DGK72G008A; 7-methoxy-coumarin; 7-Methoxy Coumarin; NSC 404559; 7-(methyloxy)-2H-chromen-2-one; EINECS 208-513-3; 7-methoxy-chromen-2-one; BRN 0141728; CHEMBL49732; CHEBI:5679; DGK72G008A; Coumarin, 7-methoxy- (8CI)
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| Activity |
IC50 = 67500 nM
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[3] | |||
| Compound Name |
MASLINIC ACID
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Investigative | Compound Info | ||
| Synonyms |
Maslinic acid; 4373-41-5; Crategolic acid; Masilinic acid; Crataegolic acid; UNII-E233J88OHQ; E233J88OHQ; CHEMBL201515; CHEBI:66682; Maslic acid; 2alpha,3beta-dihydroxyurs-12-en-29-oic acid; (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; Maslinicacid
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| Activity |
IC50 = 72000 nM
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[4] | |||
| Compound Name |
SCOPOLETIN
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Investigative | Compound Info | ||
| Synonyms |
scopoletin; 92-61-5; Gelseminic acid; 6-Methylesculetin; 7-Hydroxy-6-methoxy-2H-chromen-2-one; Chrysatropic acid; Scopoletine; 7-Hydroxy-6-methoxycoumarin; Scopoletol; Murrayetin; 6-O-Methylesculetin; Escopoletin; 6-Methoxy-7-hydroxycoumarin; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; 6-Methoxyumbelliferone; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; Esculetin 6-methyl ether; beta-Methylesculetin; Esculetin-6-methyl ether; .beta.-Methylesculetin; Buxuletin; UNII-KLF1HS0SXJ; COUMARIN, 7-HYDROXY-6-METHOXY-
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| Activity |
IC50 = 74400 nM
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[3] | |||
| Compound Name |
P-Coumaric Acid
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Investigative | Compound Info | ||
| Synonyms |
p-coumaric acid; 4-Hydroxycinnamic acid; p-Hydroxycinnamic acid; 501-98-4; 4-Coumaric acid; trans-4-Hydroxycinnamic acid; 7400-08-0; trans-p-Coumaric acid; p-Cumaric acid; 3-(4-hydroxyphenyl)acrylic acid; Para-Coumaric acid; Hydroxycinnamic acid; p-Hydroxy-cinnamic acid; Naringeninic acid; p-Hydroxyphenylacrylic acid; (E)-p-Coumaric acid; trans-p-Coumarinic acid; 4'-hydroxycinnamic acid; (E)-3-(4-Hydroxyphenyl)acrylic acid; Cinnamic acid, p-hydroxy-; (E)-p-Hydroxycinnamic acid; trans-p-Hydroxycinnamic acid
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| Activity |
IC50 = 76000 nM
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[5] | |||
| Compound Name |
OLEANOLIC_ACID
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Investigative | Compound Info | ||
| Synonyms |
OLEANOLIC ACID; Oleanic acid; 508-02-1; Caryophyllin; Astrantiagenin C; Giganteumgenin C; Virgaureagenin B; 3beta-Hydroxyolean-12-en-28-oic acid; UNII-6SMK8R7TGJ; CCRIS 6493; (3-beta)-3-Hydroxyolean-12-en-28-oic acid; EINECS 208-081-6; NSC114945; 6SMK8R7TGJ; NSC-114945; 3-beta-Hydroxyolean-12-en-28-oic acid; CHEBI:37659; Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-; oleonolic acid; MFCD00064914
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| Activity |
IC50 = 124000 nM
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[4] | |||
| Compound Name |
biochanin A
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Investigative | Compound Info | ||
| Synonyms |
Biochanin A; 491-80-5; Biochanin; 4'-Methylgenistein; 5,7-Dihydroxy-4'-methoxyisoflavone; 5,7-Dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; Genistein 4-methyl ether; 5,7-Dihydrox -4'-methoxyisoflavone; Biochanine A; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-; olmelin; Pratensol; NSC 123538; Biochanin-A; 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one; 4-Methylgenistein; C16H12O5; UNII-U13J6U390T; CCRIS 5449; 5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one; EINECS 207-744-7; NSC123538; Genistein 4'-methyl ether; 4'-methylgenistein; BIOCHANIN
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| Activity |
IC50 = 127000 nM
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[6] | |||
| Compound Name |
Ganoderic acid A
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Investigative | Compound Info | ||
| Synonyms |
Ganoderic acid A; 81907-62-2; UNII-548G37DF65; 548G37DF65; (2R,6R)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid; (2R,6R)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxo-heptanoic acid; CHEMBL602899; Ganoderic-acid-A; AC1LAM6R; HY-N1447; ZINC49767216; CS-5856; Lanost-8-en-26-oic
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| Activity |
IC50 ~ 193500 nM
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[7] | |||
| Compound Name |
3-(4-Nitroanilino)benzoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1682200; 3-[(4-nitrophenyl)amino]benzoic Acid; 3-((4-Nitrophenyl)Amino)Benzoic Acid; SCHEMBL13279936; ZINC8418366; BDBM50337281; AKOS000286174; 3-[N-(4-nitrophenyl)amino]benzoic acid
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| Activity |
IC50 ~ 50000 nM
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[8] | |||
| Compound Name |
2-{[2-Nitro-5-(trifluoromethyl)phenyl]amino}benzoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3899044; CTK8I5600; BDBM220123; ZINC39123565; US9271961, BMT 5-119
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| Activity |
IC50 = 50000 nM
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[8] | |||
| Compound Name |
3-(4-Tert-butylanilino)benzoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1682205; SCHEMBL13465068; BDBM50337286; ZINC66077713; 3-[N-(4-tert-butylphenyl)amino]benzoic acid
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| Activity |
IC50 ~ 50000 nM
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[8] | |||
| Compound Name |
3-[(4-Bromophenyl)Amino]Benzoic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1682204; 3-(4-bromoanilino)benzoic acid; SCHEMBL13280274; BDBM50337285; ZINC66098454; 3-[N-(4-bromophenyl)amino]benzoic acid
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| Activity |
IC50 ~ 50000 nM
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[8] | |||
| Compound Name |
3-((4-(Trifluoromethyl)Phenyl)Amino)Benzoic Acid
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Investigative | Compound Info | ||
| Synonyms |
3-{[4-(Trifluoromethyl)phenyl]amino}benzoic Acid; CHEMBL1682202; 3-[4-(trifluoromethyl)anilino]benzoic acid; SCHEMBL13279924; HMS3743G11; BDBM50337283; MFCD28016823; ZINC54186689; AKOS011941571; 3-[(4-Trifluoromethylphenyl)Amino]Benzoic Acid; 3-[N-(4-trifluoromethylphenyl)amino]benzoic acid; Q27458541
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| Activity |
IC50 ~ 50000 nM
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[8] | |||
| Compound Name |
3-[2-Nitro-4-(trifluoromethyl)anilino]benzoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2041555; BDBM50385687; AKOS000286519
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| Activity |
IC50 = 50000 nM
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[9] | |||
| Compound Name |
5,5'-Diisopropyl-1,1',6,6',7,7'-hexamethoxy-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarbaldehyde
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Investigative | Compound Info | ||
| Synonyms |
NSC89311; CHEMBL109986; Hexamethoxygossypol; NSC 89311; CTK4G0367; DTXSID10182169; ZINC4914524; BDBM50010442; NSC-89311
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| Activity |
Ki = 56000 nM
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[10] | |||
| Compound Name |
3,4-Dihydro-4-oxo-3-[(2-quinolinyl)methyl]phthalazine-1-acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL143117; BDBM50008488; 2-[4-oxo-3-(quinolin-2-ylmethyl)phthalazin-1-yl]acetic acid; (4-Oxo-3-quinolin-2-ylmethyl-3,4-dihydro-phthalazin-1-yl)-acetic acid
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| Activity |
IC50 = 59000 nM
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[11] | |||
| Compound Name |
3-Hydroxycoumarin
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Investigative | Compound Info | ||
| Synonyms |
3-hydroxy-2H-chromen-2-one; 3-Hydroxy-2-benzopyrone; 3-hydroxychromen-2-one; 3 Hydroxycoumarin; hydroxycoumarin; 3-Hydroxy-2H-1-benzopyran-2-one; UNII-RQX0CMD9PN; 3-Hydroxy-chromen-2-one; RQX0CMD9PN; CHEMBL150372; 2H-1-Benzopyran-2-one, hydroxy-; EINECS 213-355-3; NSC 74691; 2H-1-Benzopyran-2-one, 3-hydroxy-; BRN 0128032; COUMARIN, 3-HYDROXY-; 3-hydroxy-coumarin; 3-hydroxychromenone; NSC74691; Spectrum_000476; SpecPlus_000860; Spectrum2_000805; Spectrum3_001267; Spectrum4_001576; Spectrum5_000232; 2H-1-Benzopyran-2-one, 3-hydroxy- (9CI); hydroxy-2H-chromen-2-one; SCHEMBL76090; BSPBio_002834; KBioGR_002132; KBioSS_000956; SPECTRUM211538; 5-18-01-00376 (Beilstein Handbook Reference); DivK1c_006956; SPBio_000669; CTK1D2829; KBio1_001900; KBio2_000956; KBio2_003524; KBio2_006092; KBio3_002334; DTXSID50239863; o-Hydroxyphenylpyruvic acid lactone; ZINC336205; 2H-1-Benzopyran-2-one,3-hydroxy-; 3767AF; BDBM50206007; CCG-39664; MFCD00017490; NSC-74691; SBB056328; AKOS015916452; MCULE-4074896000; SDCCGMLS-0066523.P001; NCGC00095536-01; NCGC00095536-02; NCGC00178445-01; DB-057448; HY-127170; CS-0094421; FT-0633159; ST50331499; AN-829/40355682; BRD-K92019075-001-02-0; Q27194434
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| Activity |
IC50 = 62000 nM
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[3] | |||
| Compound Name |
6,7-Dihydroxycoumarin-4-acetic Acid
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Investigative | Compound Info | ||
| Synonyms |
6,7-Dihydroxy-4-coumarinylacetic acid; 2-(6,7-dihydroxy-2-oxochromen-4-yl)acetic acid; CHEMBL1255817; 2-(6,7-Dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid; 6,7-DIHYDROXYCOUMARIN-4-ACETICACID; SCHEMBL591195; CTK3E7961; ZINC57799; DTXSID50419825; 6,7-Dihydroxycoumarinyl-4-acetic; BDBM50327652; MFCD01863008; SBB017564; AKOS015894372; FT-0667102; ST50331485; J-100097; 2H-1-Benzopyran-4-aceticacid, 6,7-dihydroxy-2-oxo-; 2H-1-Benzopyran-4-acetic acid, 6,7-dihydroxy-2-oxo-
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| Activity |
IC50 = 63300 nM
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[3] | |||
| Compound Name |
4-Methylesculetin
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Investigative | Compound Info | ||
| Synonyms |
6,7-DIHYDROXY-4-METHYLCOUMARIN; 6,7-Dihydroxy-4-methyl-2H-chromen-2-one; Methylesculetin; 4-Methylaesculetin; 4-Methylesculetol; 4-Methyl-6,7-dihydroxycoumarin; 6,7-dihydroxy-4-methylchromen-2-one; 6,7-Dihydroxy-4-methyl-2H-benzopyran-2-one; 2H-1-Benzopyran-2-one, 6,7-dihydroxy-4-methyl-; Coumarin, 6,7-dihydroxy-4-methyl-; NSC 11828; NSC 688807; UNII-132H8N0A91; 6,7-Dihydroxy-4-methyl-2H-1-benzopyran-2-one; 6,7-Dihydroxy-4-methyl-chromen-2-one; CHEMBL313244; NSC11828; MFCD00006859; NSC688807; 132H8N0A91; NSC-688807; SR-01000389898; EINECS 208-470-0; BRN 0162550; AI3-18220; Spectrum_001029; SpecPlus_000495; Spectrum2_000617; Spectrum3_000592; Spectrum4_001864; Spectrum5_000428; Oprea1_739367; BSPBio_002064; KBioGR_002330; KBioSS_001509; 5-18-03-00231 (Beilstein Handbook Reference); DivK1c_006591; SCHEMBL409482; SPECTRUM1500729; SPBio_000554; DTXSID6060187; 4-methy1-6,7-dihydroxycoumarin; KBio1_001535; KBio2_001509; KBio2_004077; KBio2_006645; KBio3_001564; ZINC58125; ALBB-015650; HY-N4288; KS-000013XH; 7498AB; ANW-43466; BBL027618; BDBM50078820; CCG-38534; NSC-11828; s4966; SBB057778; STL372185; AKOS003241110; GS-5460; MCULE-2984770490; SDCCGMLS-0066617.P001; NCGC00095628-01; NCGC00095628-02; NCGC00178836-01; 4-methyl-6,7-bis(oxidanyl)chromen-2-one; DB-052228; 6,7-dihydroxy-4-methyl-1-benzopyran-2-one; CS-0032643; EU-0066858; FT-0619082; M0766; R1156; ST45024832; A829333; SR-01000389898-1; SR-01000389898-2; W-200029; Q27251461; F1011-0383
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| Activity |
IC50 = 64400 nM
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[3] | |||
| Compound Name |
Nordalbergin
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Investigative | Compound Info | ||
| Synonyms |
6,7-Dihydroxy-4-phenyl-2H-chromen-2-one; 6,7-Dihydroxy-4-phenylcoumarin; 6,7-dihydroxy-4-phenylchromen-2-one; CHEMBL1255818; Oprea1_012343; CBDivE_012029; SCHEMBL1706321; CTK8B6766; DTXSID40415775; ZINC186764; BCP21930; HY-N4287; 6606AB; ANW-54286; BBL028154; BDBM50327653; LMPK12100008; MFCD00075837; STL372186; AKOS015955887; CCG-339856; MCULE-2789154119; 6,7-dihydroxy-4-phenyl-chromen-2-one; VS-08682; CS-0032642; FT-0698463; ST50309010; SR-01000195708; 2H-1-Benzopyran-2-one, 6,7-dihydroxy-4-phenyl-; SR-01000195708-1
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| Activity |
IC50 = 66300 nM
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[3] | |||
| Compound Name |
Hexanoic acid
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Investigative | Compound Info | ||
| Synonyms |
Caproic acid; n-Hexanoic acid; Capronic acid; n-Caproic acid; Butylacetic acid; Hexoic acid; Pentylformic acid; n-Hexylic acid; n-Hexoic acid; 1-Hexanoic acid; Pentiformic acid; 1-Pentanecarboxylic acid; Pentanecarboxylic acid; Hexacid 698; Hexylic acid; Kyselina kapronova; NSC 8266; UNII-1F8SN134MX; MFCD00004421; Hexanoic acid, 99%; NCIOpen2_005355; hexanoic acid (caproic acid); CHEMBL14184; CH3-[CH2]4-COOH; 1F8SN134MX; NSC8266; capronate; hexylate; pentylformate; n-caproate; n-hexoate; n-hexylate; HEXANOIC ACID (CAPROIC ACID); 1-hexanoate; 1-pentanecarboxylate; DSSTox_CID_1607; DSSTox_RID_76233; DSSTox_GSID_21607; Hexanoic acid (natural); Kyselina kapronova [Czech]; FEMA No. 2559; CCRIS 1347; HSDB 6813; EINECS 205-550-7; UN2829; BRN 0773837; AI3-07701; hexansure; Nat.Hexanoic Acid; hexanoic acid group; EINECS 274-509-3; Caproic Acid,(S); Acid C6; Caproate (6:0); ethyl 4-butanoic acid; Fatty Acid 1210; ACMC-1BTHO; methyl 5-pentanoic acid; Pentane-1-carboxylic acid; Hexanoic acid, >=99%; n-C5H11COOH; Hexanoic acid Caproic acid; bmse000351; EC 205-550-7; (C5-C9) Monobasic acids; SCHEMBL3867; WLN: QV5; CH3(CH2)4COOH; 4-02-00-00917 (Beilstein Handbook Reference); KSC177A6N; (C6-C12)Alkylcarboxylic acid; DTXSID7021607; (C6-C12) Alkylcarboxylic acid; BDBM16433; CTK0H7066; 1-$l^{1}-oxidanylhexan-1-one; Hexanoic acid, analytical standard; KS-00000W2U; NSC-8266; STR10048; ZINC1529230; EINECS 267-013-3; EINECS 271-676-4; Tox21_201517; Tox21_300406; ANW-20709; LMFA01010006; SBB053586; Hexanoic acid, >=98%, FCC, FG; AKOS000119844; FA(6:0); MCULE-1671810139; Caproic acid [UN2829] [Corrosive]; Hexanoic acid, natural, >=98%, FCC; NCGC00248020-01; NCGC00248020-02; NCGC00254504-01; NCGC00259067-01; Hexanoic acid, purum, >=98.0% (GC); Hexanoic acid 10 microg/mL in Acetonitrile; FT-0659402; FT-0777869; Hexanoic acid, natural, >=98%, FCC, FG; ST51046281; C01585; EC 271-676-4; 11034-EP2269610A2; 11034-EP2270002A1; 11034-EP2277848A1; 11034-EP2284146A2; 11034-EP2284147A2; 11034-EP2289510A1; 11034-EP2298313A1; 11034-EP2316457A1; 11034-EP2316458A1; 11034-EP2316825A1; 11034-EP2316826A1; 11034-EP2316827A1; 11034-EP2316828A1; 16407-EP2275401A1; 16407-EP2281563A1; 16407-EP2284160A1; 16407-EP2289890A1; 16407-EP2305646A1; 16407-EP2305687A1; 16407-EP2311824A1; 16407-EP2311842A2; 16407-EP2316459A1; 16407-EP2374787A1; 16420-EP2275401A1; 16420-EP2281563A1; 16420-EP2289890A1; 16420-EP2305646A1; 16420-EP2311842A2; 16420-EP2316459A1; Q422597; J-007673; 25401AB4-1ECB-481F-AC91-EAAFC9329BDD; Z955123566
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||||
| Activity |
IC50 = 68200 nM
|
[12] | |||
| Compound Name |
3-Hydroxycinnamic acid phenethyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1940389; SCHEMBL20915006; BDBM50362833; Phenethyl 3-(3-Hydroxyphenyl)Acrylate; 2-phenylethyl (E)-3-(3-hydroxyphenyl)prop-2-enoate
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||||
| Activity |
IC50 = 73000 nM
|
[5] | |||
| Compound Name |
Erythrodiol
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Investigative | Compound Info | ||
| Synonyms |
3beta-Erythrodiol; UNII-3VWF903FSS; (3beta)-Olean-12-ene-3,28-diol; Olean-12-ene-3beta,28-diol; 3VWF903FSS; CHEMBL400074; oleanolic alcohol; EINECS 208-890-4; SCHEMBL610723; Erythrodiol, analytical standard; 3beta,28-dihydroxy-ole-12-ene; DTXSID401015931; HY-N2419; ZINC3964578; BDBM50218200; CE0045; MFCD00017294; AKOS016036259; CS-0022626; W2520; C20945; 545E482; Q27136414
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||||
| Activity |
IC50 = 84000 nM
|
[4] | |||
| Compound Name |
Spiraeoside
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Investigative | Compound Info | ||
| Synonyms |
Spiraein; Spiraeosid; Quercetin 4'-glucoside; Quercetin-4'-glucoside; Quercetin 4'-O-glucoside; UNII-K2B74751XI; Quercetin 4'-b-D-glucoside; CHEMBL402947; K2B74751XI; quercetin 4'-O-beta-D-glucopyranoside; Spiraein (Acacia); EINECS 243-614-6; Quercetin 4???-glucoside; Spireoside (6CI,7CI,8CI); SCHEMBL1155660; Spiraeoside, analytical standard; CTK8G3187; DTXSID00174078; Quercetin 4'-O-beta-D-glucoside; ZINC4349687; BDBM50362884; MFCD00221723; quercetin 4'-O- -D-glucopyranoside; MCULE-3523271321; NCGC00163625-01; SC-88040; 229S565; J-013135; Q7577713; 3,3???,4???,5,7-Pentahydroxyflavone 4???-glucoside
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||||
| Activity |
IC50 = 95310 nM
|
[13] | |||
| Compound Name |
(6-Chloro-4-hydroxy-2-methyl-5-nitro-chroman-4-yl)-acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL68624; BDBM50006494; (2R)-6-Chloro-5-nitro-2,3-dihydro-4alpha-hydroxy-2alpha-methyl-4H-1-benzopyran-4-acetic acid
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||||
| Activity |
IC50 = 95500 nM
|
[14] | |||
| Compound Name |
Phenylacetic acid
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Investigative | Compound Info | ||
| Synonyms |
Benzeneacetic acid; 2-Phenylacetic acid; Phenylethanoic acid; alpha-Toluic acid; Acetic acid, phenyl-; phenylacetate; Benzenacetic acid; Benzylformic acid; Phenyllacetic acid; Benzylcarboxylic acid; PHENYL ACETIC ACID; Kyselina fenyloctova; Phenylacetic acid (natural); Kyselina fenyloctova [Czech]; omega-Phenylacetic acid; UNII-ER5I1W795A; NSC 125718; BRN 1099647; .alpha.-Toluic acid; AI3-08920; PHENYL-ACETIC ACID; .omega.-Phenylacetic acid; CHEMBL1044; ER5I1W795A; Benzeneacetate; NSC125718; NCGC00159477-02; DSSTox_CID_1656; DSSTox_RID_76268; DSSTox_GSID_21656; FEMA No. 2878; HSDB 5010; EINECS 203-148-6; Phenylacetic; Phenylethanoate; Phenylessigsaure; w-Phenylacetate; alpha-Toluate; phenylactic acid; a-Toluate; a-Toluic acid; Benzeneacetiic acid; omega-Phenylacetate; organic white solid; w-Phenylacetic acid; Phenylacetate, XIX; 2-phenyl-acetic acid; Phenylacetic acid, 99%; bmse000220; Epitope ID:116202; EC 203-148-6; SCHEMBL1459; 4-09-00-01614 (Beilstein Handbook Reference); DTXSID2021656; BDBM16419; CTK0H5030; ZINC388462; Phenylacetic acid_GurudeebanSatyavani; Tox21_113042; Tox21_200533; MFCD00004313; NSC139637; Phenylacetic acid, natural, >=99%; SBB058199; STK297835; Phenylacetic acid, analytical standard; AKOS000291351; Tox21_113042_1; DB09269; DL-0063; MCULE-6701370784; NSC-125718; NSC-139637; KS-000024G2; Phenylacetic acid, >=99%, FCC, FG; NCGC00159477-03; NCGC00159477-05; NCGC00258087-01; BP-11383; NCI60_000596; NCI60_002571; Phenylacetic acid, natural, >=99%, FG; DB-003759; DB-055176; FT-0641197; FT-0701063; Phenylacetic acid, plant cell culture tested; ST45061317; C07086; 28028-EP2269988A2; 28028-EP2270006A1; 28028-EP2270008A1; 28028-EP2272839A1; 28028-EP2272840A1; 28028-EP2275403A1; 28028-EP2275413A1; 28028-EP2287156A1; 28028-EP2292617A1; 28028-EP2295433A2; 28028-EP2301940A1; 28028-EP2305250A1; 28028-EP2305260A1; 28028-EP2305658A1; 28028-EP2308833A2; 28028-EP2308848A1; 28028-EP2311807A1; 28028-EP2311809A1; 28028-EP2311825A1; 28028-EP2314588A1; 79377-EP2298766A1; 79377-EP2305695A2; 79377-EP2305696A2; 79377-EP2305697A2; 79377-EP2305698A2; Q410842; 8727557E-AA75-49E9-8E5A-7A2412D71888
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||||
| Activity |
IC50 = 96000 nM
|
[12] | |||
| Compound Name |
1,2-Dihydro-3-methyl-2,2',5'-trioxospiro[quinazoline-4(3H),4'-imidazolidine]-1'-acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL63702; BDBM50006363
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||||
| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
1',3,3'-Trimethylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL66646; SCHEMBL10657600; BDBM50006402; 1',3,3'-Trimethylspiro[quinazoline-4(3H),4'-imidazolidine]-2,2',5'(1H)-trione; 1,3,3''-trimethyl-1''H,2H,5H-spiro[imidazolidine-4,4''-quinazoline]-2,2'',5(3''H)-trione
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||||
| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
2'-Amino-3-methylspiro[quinazoline-4(3H),5'(4'H)-thiazole]-2,4'(1H)-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL304314; BDBM50006384; 2''-amino-3-methyl-1H,4''H-spiro[quinazoline-4,5''-[1,3]thiazole]-2,4''(3H)-dione
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| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
(4S)-6-Fluoro-3'-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL79978; BDBM50022419; 6-fluoro-1''-methyl-(4''S)-spiro[3,4-dihydro-2H-chromene-4,4''-(1''H,2''H-imidazole)]-2'',5''-dione
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| Activity |
IC50 ~ 100000 nM
|
[16] | |||
| Compound Name |
[6-Ethyl-3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]-acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1780236; SCHEMBL4177477; BDBM50343935; 2-[6-ethyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid
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| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
3-Butylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL65869; BDBM50006373; 3''-butyl-1''H,2H,5H-spiro[imidazolidine-4,4''-quinazoline]-2,2'',5(3''H)-trione; 3-Butylspiro[quinazoline-4(3H),5'(4'H)-[1H]imidazole]-2,2',4'(1H,3'H)-trione
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| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
2-(3-((4,5,7-Trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1235556; SCHEMBL4174302; BDBM50343933; DB08449; Q27097654; {3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}acetic acid
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||||
| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
3beta,5alpha,6beta,19-Tetrahydroxyandrostane
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4082424; BDBM50241815; J3.506.337D
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||||
| Activity |
IC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
3-Hydroxyspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL303416; BDBM50006365; 3''-hydroxy-1''H,2H,5H-spiro[imidazolidine-4,4''-quinazoline]-2,2'',5(3''H)-trione; 3-Hydroxyspiro[quinazoline-4(3H),5'(4'H)-[1H]imidazole]-2(1H),2',4'(3'H)-trione
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||||
| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
3-(2-Benzothiazolyl)-3,4-dihydro-4-oxophthalazine-1-acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL277921; BDBM50009822; 3-(2-benzothiazolyl)-4-oxo-3-H-phthalazin-1-ylacetic acid; 2-[3-(1,3-benzothiazol-2-yl)-4-oxophthalazin-1-yl]acetic acid; (3-Benzothiazol-2-yl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid
Click to Show/Hide
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||||
| Activity |
IC50 ~ 100000 nM
|
[19] | |||
| Compound Name |
[6-Methyl-3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]-acetic acid
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1780235; SCHEMBL4171191; BDBM50343934; 2-[6-methyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid
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||||
| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
2'-Imino-3-methylspiro[quinazoline-4(3H),4'-imidazolidine]-2(1H),5'-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL63639; BDBM50006385; 2-amino-3'-methylspiro[1H-imidazole-4,4'-1H-quinazoline]-2',5-dione; (2Z)-2-imino-3''-methyl-1''H,5H-spiro[imidazolidine-4,4''-quinazoline]-2'',5(3''H)-dione
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| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
3-[4-(2-Benzothiazolyl)benzyl]-3,4-dihydro-4-oxophthalazine-1-acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL414405; BDBM50009778; [3-(4-Benzothiazol-2-yl-benzyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid
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| Activity |
IC50 ~ 100000 nM
|
[19] | |||
| Compound Name |
6-Hydroxy-3-methylspiro[quinazoline-4(3H),4'-imidazolidine]-2,2',5'(1H)-trione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL65418; BDBM50006382; 6''-hydroxy-3''-methyl-1''H,2H,5H-spiro[imidazolidine-4,4''-quinazoline]-2,2'',5(3''H)-trione
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| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
(8-Hydroxy-5-oxo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-2-yl)-acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL75244; BDBM50022272; ZINC26393101
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| Activity |
IC50 = 100000 nM
|
[2] | |||
| Compound Name |
3-Methyl-2'-sulfanylidenespiro[1H-quinazoline-4,5'-imidazolidine]-2,4'-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL63909; BDBM50006359; 3''-methyl-2-thioxo-1''H,5H-spiro[imidazolidine-4,4''-quinazoline]-2'',5(3''H)-dione; 2',3'-Dihydro-2'-thioxo-3-methylspiro[quinazoline-4(3H),5'(4'H)-[1H]imidazole]-2,4'(1H)-dione
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| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
3-Benzyl-1,2-dihydrospiro[quinazoline-4(3H),4'-imidazolidine]-2,2',5'-trione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL63654; BDBM50006368; 3''-benzyl-1''H,2H,5H-spiro[imidazolidine-4,4''-quinazoline]-2,2'',5(3''H)-trione
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| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
(4R)-6-Fluoro-1'-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2310845; BDBM50421832
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| Activity |
IC50 = 100000 nM
|
[16] | |||
| Compound Name |
3,3'-Dimethylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL67065; SCHEMBL10653987; BDBM50006400; 1',3-Dimethylspiro[quinazoline-4(3H),4'-imidazolidine]-2,2',5'(1H)-trione; 1,3''-dimethyl-1''H,2H,5H-spiro[imidazolidine-4,4''-quinazoline]-2,2'',5(3''H)-trione
Click to Show/Hide
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||||
| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
3,3'-Dimethylspiro[quinazoline-4(3H),4'-imidazolidine]-2,2',5'(1H)-trione
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL304117; BDBM50006378; 3,3''-dimethyl-1''H,2H,5H-spiro[imidazolidine-4,4''-quinazoline]-2,2'',5(3''H)-trione
Click to Show/Hide
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||||
| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
(4R)-6-Fluoro-1',3'-dimethylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2310844; BDBM50421833
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||||
| Activity |
IC50 ~ 100000 nM
|
[16] | |||
| Compound Name |
3-Phenyl-1,2-dihydrospiro[quinazoline-4(3H),4'-imidazolidine]-2,2',5'-trione
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL303070; BDBM50006388; 3''-phenyl-1''H,2H,5H-spiro[imidazolidine-4,4''-quinazoline]-2,2'',5(3''H)-trione
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||||
| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
3-Propan-2-ylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL63377; BDBM50006379; 3''-isopropyl-1''H,2H,5H-spiro[imidazolidine-4,4''-quinazoline]-2,2'',5(3''H)-trione; 3-Isopropylspiro[quinazoline-4(3H),5'(4'H)-[1H]imidazole]-2,2',4'(1H,3'H)-trione
Click to Show/Hide
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||||
| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
6-Amino-3-methylspiro[quinazoline-4(3H),4'-imidazolidine]-2,2',5'(1H)-trione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL66685; BDBM50006371; 6''-amino-3''-methyl-1''H,2H,5H-spiro[imidazolidine-4,4''-quinazoline]-2,2'',5(3''H)-trione
Click to Show/Hide
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||||
| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
Ethyl 2-[(4Z)-4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetate
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3911638; BDBM50210920
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||||
| Activity |
IC50 = 109000 nM
|
[20] | |||
| Compound Name |
(4-Hydroxy-5-oxo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-2-yl)-acetic acid
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL312290; SCHEMBL11520553; BDBM50022269; ZINC26397644; 4-hydroxy-10,11-dihydro-5-oxo-5H-dibenzo[a,d]cyclohepten-2-yl acetic acid; 2-(1-hydroxy-11-oxo-5,6-dihydrodibenzo[2,1-b:4',1'-f][7]annulen-3-yl)acetic acid
Click to Show/Hide
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||||
| Activity |
IC50 = 110000 nM
|
[2] | |||
| Compound Name |
(2-Methyl-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol)-1-ylacetic acid ethyl ester
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3936885; SCHEMBL14670775; BDBM50210919
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|
||||
| Activity |
IC50 = 112000 nM
|
[20] | |||
| Compound Name |
Ganoderenic Acid A
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922171; BDBM50359036; 907G622
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|
||||
| Activity |
IC50 = 119200 nM
|
[7] | |||
| Compound Name |
Ginsenoside Rh2
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Investigative | Compound Info | ||
| Synonyms |
(20S)-ginsenoside Rh2; 20(S)-Ginsenoside Rh2; 20(S)-Ginsenoside; UNII-0JU44A5KWG; 0JU44A5KWG; Ginsenoside-Rh2; C36H62O8; 20S-Ginsenoside Rh2; 20(S)-Ginsenoside-RH2; (S)Ginsenoside-Rh2; (20R)Ginsenoside Rh2; CHEMBL1783834; DTXSID70999457; HY-N0605; BDBM50023457; Ginsenoside Rh2, analytical standard; MFCD00800712; s9023; s9036; ZINC72129809; AKOS037514675; CCG-270259; CCG-270261; CS-3835; X1143; C22128; 12,20-Dihydroxydammar-24-en-3-yl hexopyranoside; 214G332; Q-100827; Q27146703; 3beta-(beta-D-glucopyranosyloxy)dammar-24-ene-3beta,20beta-diol; beta-D-Glucopyranoside, (3beta,12beta)-12,20-dihydroxydammar-24-en-3-yl
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||||
| Activity |
IC50 = 147300 nM
|
[21] | |||
| Compound Name |
(5-Oxo-10,11-dihydrodibenzo[a,d]cyclohepten-2-yl)acetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL74025; SCHEMBL11088738; BDBM50022261; ZINC26393733; (5-oxo-10,11 -dihydrodibenzo[a,d]cyclohepten-2-yl)acetic acid; (5-Oxo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-2-yl)-acetic acid; 2-(11-oxo-5,6-dihydrodibenzo[2,1-b:3',1'-f][7]annulen-3-yl)acetic acid
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||||
| Activity |
IC50 = 160000 nM
|
[2] | |||
| Compound Name |
6-Hydroxycoumarin
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|
Investigative | Compound Info | ||
| Synonyms |
6-Hydroxy-2H-chromen-2-one; 6-hydroxychromen-2-one; 2H-1-Benzopyran-2-one, 6-hydroxy-; 6-hydroxy coumarin; 6-Hydroxycoumaran; 2H-1-Benzopyran-2-one,6-hydroxy-; CHEMBL243263; NSC677227; 6-Hydroxycoumarin, 98%; 6-hydroxycoumarine; 6-Hydroxy-2H-1-benzopyran-2-one; NSC226192; PubChem11099; 6-Hydroxbenzopyran-2-one; 6-Hydroxycoumarin, 96%; 6-hydroxy-chromene-2-one; ACMC-1AY79; SCHEMBL187709; CTK5B2463; 6-Hydroxy-2H-chromen-2-one #; DTXSID70209760; ACT03098; HY-N6656; KS-000014WE; ZINC1757340; ANW-33624; BDBM50327651; KM0450; MFCD00630040; s9364; SBB056309; AKOS005258623; CCG-266293; MCULE-6489847953; NSC-226192; NSC-677227; VZ30776; AS-17834; BR-72788; SC-26678; ST097006; AB0020969; DB-053747; CS-0083182; FT-0635972; V2066; 162056-EP2284170A1; J-518781
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|
||||
| Activity |
IC50 = 171000 nM
|
[3] | |||
| Compound Name |
Ganoderic Acid K
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922177; SCHEMBL16799188; BDBM50359043
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|
||||
| Activity |
IC50 ~ 174200 nM
|
[7] | |||
| Compound Name |
Ganoderic acid H
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922178; SCHEMBL2158838; BDBM50359044
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|
||||
| Activity |
IC50 ~ 174700 nM
|
[7] | |||
| Compound Name |
Methyl Ganoderenate A
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922173; BDBM50359039
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|
||||
| Activity |
IC50 ~ 183900 nM
|
[7] | |||
| Compound Name |
Methyl (2R,6R)-2-methyl-4-oxo-6-[(3S,5R,7S,10S,13R,14R,15S,17R)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922182; BDBM50359048
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|
||||
| Activity |
IC50 ~ 183900 nM
|
[7] | |||
| Compound Name |
Methyl ganoderate A
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1086927; BDBM50356914
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|
||||
| Activity |
IC50 ~ 189400 nM
|
[7] | |||
| Compound Name |
Methyl (6R)-6-[(5R,7S,10S,11S,13R,14R,17R)-7,11-dihydroxy-4,4,10,13,14-pentamethyl-3,15-dioxo-2,5,6,7,11,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922181; BDBM50359047
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|
||||
| Activity |
IC50 ~ 189400 nM
|
[7] | |||
| Compound Name |
Ganoderic acid B
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|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL3681351; CHEMBL1087180; BDBM50356915
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|
||||
| Activity |
IC50 ~ 193500 nM
|
[7] | |||
| Compound Name |
Ganoderic Acid J
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922172; SCHEMBL6768872; BDBM50359038
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|
||||
| Activity |
IC50 ~ 194400 nM
|
[7] | |||
| Compound Name |
(2R,6R)-6-[(5R,7S,10S,13R,14R,17R)-7-Hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
Ganoderic acid C1; CHEMBL1922180; 7-Hydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid; DTXSID70915031; BDBM50359046; ZINC33831319; CID 471004; SC-17268; A845275; Lanost-8-en-26-oic acid, 7-hydroxy-3,11,15,23-tetraoxo-, (7.beta.,25R)-; Lanost-8-en-26-oic acid, 7-hydroxy-3,11,15,23-tetraoxo-, (7beta,25R)-
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||||
| Activity |
IC50 ~ 194400 nM
|
[7] | |||
| Compound Name |
Ganoderic Acid D
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Investigative | Compound Info | ||
| Synonyms |
Ganodernic acid D; SCHEMBL3676373; CHEMBL2205002; HY-N1511; BDBM50021402; CS-0017054
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||||
| Activity |
IC50 ~ 195300 nM
|
[7] | |||
| Compound Name |
Ganolucidic acid B
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922176; UNII-ER45571898; ER45571898; Ganolucidenic acid B; 3-Hydroxyganolucidic acid A; SCHEMBL3866305; BDBM50359042; Q27896785; (3beta,15alpha)-3,15-Dihydroxy-11,23-dioxolanost-8-en-26-oic acid; Lanost-8-en-26-oic acid, 3,15-dihydroxy-11,23-dioxo-, (3beta,15alpha)-
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 199200 nM
|
[7] | |||
| Compound Name |
4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)-
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL168453; 3-Chloro-2-(1H-tetrazol-5-yl)-chromen-4-one; 3-Chloro-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-one; 3-chloro-2-(2H-tetrazol-5-yl)chromen-4-one; CTK1C4405; DTXSID80187242; BDBM50025976; 2-tetrazolyl-3-chloro-4-oxo-4h-chromen
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||||
| Activity |
IC50 = 200000 nM
|
[22] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 14 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Salicyclic acid
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|
Approved | Compound Info | ||
| Synonyms |
Salicylic acid; salicylic acid; 2-Hydroxybenzoic acid; 69-72-7; o-hydroxybenzoic acid; 2-Carboxyphenol; o-Carboxyphenol; Salonil; Rutranex; Retarder W; Keralyt; Freezone; Duoplant; Saligel; Ionil; Psoriacid-S-stift; salicylate; Stri-Dex; Salicylic acid soap; Benzoic acid, 2-hydroxy-; Salicylic acid collodion; Verrugon; Phenol-2-carboxylic acid; Acidum salicylicum; Trans-Ver-Sal; Orthohydroxybenzoic acid; 2-Hydroxybenzenecarboxylic acid; Acido salicilico; Ionil-Plus; Salicylic acid, tech; Kyselina salicylova; Clear away wart remover; Duofil wart; Domerine; Duofilm; Occlusal; SAX; Salicylate; Sebucare; Sebulex; Acido salicilico [Italian]; Advanced pain relief callus removers; Advanced pain relief corn removers; Akurza Cream; Akurza Lotion; DHS Sal Shampoo; DuoPlant Gel; Duofil wart remover; Hydrisalic Gel; Ionil plus; Kyselina salicylova [Czech]; Mediplast pads; O Hydroxybenzoic Acid; Ortho Hydroxybenzoic Acid; Retarder SAX; Salex Cream; Salex Lotion; CMC_13852; K 537; ATA fraction 10, ammonium salt; Acid, Salicylic; Acido o-idrossibenzoico; Acido o-idrossibenzoico [Italian]; Kyselina 2-hydroxybenzoova; Kyselina 2-hydroxybenzoova [Czech]; O-Carboxyphenol; O-hydroxybenzoic acid; Ortho-Hydroxybenzoic Acid; P&S Shampoo; Phenol derivative, 7; Propa pH Peel-Off Acne Mask; SALICYLIC ACID (SEE ALSO ALPHA HYDROXY ACIDS); SALICYLIC ACID, ACS; Salicylic acid & Sulfur Soap; Salicylic acid (TN); Salicylic acid [USAN:JAN]; Acid, 2-Hydroxybenzoic; Acid, o-Hydroxybenzoic; Acid, ortho-Hydroxybenzoic; BENZOIC ACID,2-HYDROXY SALICYLIC ACID; Dr Scholl's callus removers; Dr Scholl's corn removers; Dr Scholl's wart remover kit; Salicylic acid (6CI,8CI); Salicylic acid (JP15/USP); Alpha/Beta Hydroxy Acids (Glycolic Acid, Salicylic Acid); Salicylic acid-ring-UL-14C; ALPHA/BETA HYDROXY ACIDS (SALICYLIC ACID) (SEE ALPHA/BETA HYDROXY ACIDS); Benzoic acid, 2-hydroxy-(9CI); E9A559BE-383B-4F83-BC02-3031D03D558A; 2 Hydroxybenzoic Acid; 2-hydroxy(1-14c)benzoic acid; SALICYLATE
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||||
| Activity |
IC50 > 1000000 nM
|
[2] | |||
| Compound Name |
ginsenoside Rg3
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Investigative | Compound Info | ||
| Synonyms |
(20S)-ginsenoside Rg3
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||||
| Activity |
IC50 > 200000 nM
|
[21] | |||
| Compound Name |
[(125)I] RB129
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Investigative | Compound Info | ||
| Synonyms |
GLYCYRRHETINIC ACID; Uralenic acid; 18-beta-Glycyrrhetinic acid; Arthrodont; Glycyrrhetin; Jintan; Rhetinic Acid; 18beta-Glycyrrhetinic acid; Biosone; alpha-Glycyrrhetinic acid; 3beta-Hydroxy-11-oxoolean-12-en-30-oic acid; Enoxolonum [INN-Latin]; Enoxolona [INN-Spanish]; UNII-P540XA09DR; Enoxolone [INN:BAN:DCF]; CCRIS 3962; EINECS 207-444-6; NSC 35347; 3-Glycyrrhetinic acid; BRN 2229654; Glycyrrhetinate; MLS000028748; CHEMBL230006; P540XA09DR; Glycyrrhetinic acid
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||||
| Activity |
IC50 = 280000 nM
|
[4] | |||
| Compound Name |
COUMARIN
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Investigative | Compound Info | ||
| Synonyms |
coumarin; 2H-Chromen-2-one; 91-64-5; 2H-1-Benzopyran-2-one; cumarin; 1,2-Benzopyrone; Rattex; Tonka bean camphor; Coumarinic anhydride; chromen-2-one; Coumarine; Benzo-alpha-pyrone; cis-o-Coumarinic acid lactone; o-Hydroxycinnamic acid lactone; o-Hydroxycinnamic lactone; 2-Oxo-1,2-benzopyran; Coumarinic lactone; Kumarin; Benzo-a-pyrone; Kumarin [Czech]; 5,6-Benzo-2-pyrone; 2H-1-Benzopyran, 2-oxo-; 5,6-Benzo-alpha-pyrone; 2H-Benzo(b)pyran-2-one; 2H-Benzo[b]pyran-2-one; Caswell No. 259C; o-Coumaric acid lactone
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||||
| Activity |
IC50 > 500000 nM
|
[3] | |||
| Compound Name |
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12S,13R,14S,17S)-3,12-Dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355095; BDBM50023448
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||||
| Activity |
IC50 > 200000 nM
|
[21] | |||
| Compound Name |
Ginsenoside C-K
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|
Investigative | Compound Info | ||
| Synonyms |
ginsenoside compound K; ginsenoside CK; Ginsenoside K; 20(S)-Ginsenoside C-K; 20(S)-GINSENOSIDE CK; CHEMBL3355096; ginsenoside M1; GM1 saponin; IH901 cpd; Compound-K; Sg(S)-ginsenoside c-k; Ginsenoside metabolite M1; (20S)-ginsenoside C-K; 20-O-beta-D-glucopyranosyl-20(S)-protopanaxadiol; 3-O-Deglucosylginsenoside F2; 20-O-(beta-D-glucopyranosyl)-20(S)-protopanaxadiol; Protopanaxadiol 20-O-glucoside; SCHEMBL18179307; DTXSID60431770; HY-N0904; BDBM50023446; IH 901; MFCD07772261; s9105; ZINC96095535; AKOS037514664; CCG-270260; CS-3840; AB0029014; N1890; X1141; C22127; 262S141; Q-100455; Q27146701; 20-(beta-D-glucopyranosyloxy)dammar-24-ene-3beta,12-diol; 20beta-(beta-D-glucopyranosyloxy)dammar-24-ene-3beta,12beta-diol; (20S)-20-(beta-D-Glucopyranosyloxy)dammara-24-ene-3beta,12beta-diol; (3beta,12beta)-3,12-dihydroxydammar-24-en-20-yl beta-D-glucopyranoside
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||||
| Activity |
IC50 > 200000 nM
|
[21] | |||
| Compound Name |
Ginsenoside Rh1
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|
Investigative | Compound Info | ||
| Synonyms |
20(S)-Ginsenoside Rh1; UNII-XBR6F7G8FU; XBR6F7G8FU; Sanchinoside B2; MFCD09951797; ginsenoside-Rh1; C36H62O9; GINSENOSIDE RH 1; (20S)-ginsenoside Rh1; BIDD:ER0183; CHEMBL466844; HMS3886D18; HY-N0604; BDBM50023447; Ginsenoside Rh1, analytical standard; s9129; ZINC49852137; AKOS025311542; CCG-270315; CS-3834; AS-75346; C22129; A834283; Q-100729
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||||
| Activity |
IC50 > 200000 nM
|
[21] | |||
| Compound Name |
20(R)-Ginsenoside Rh2
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|
Investigative | Compound Info | ||
| Synonyms |
(R)Ginsenoside-Rh2; 20(R)-Ginsenoside; CHEMBL1783835; C36H62O8; HY-N1401; BDBM50023450; MFCD22200425; ZINC72129824; AKOS027251124; BS-14423; AB0035629; CS-0016819
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|
||||
| Activity |
IC50 > 200000 nM
|
[21] | |||
| Compound Name |
Schembl20904263
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3326514; BDBM50023449
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|
||||
| Activity |
IC50 > 200000 nM
|
[21] | |||
| Compound Name |
(20R)-Ginsenoside Rg3
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|
Investigative | Compound Info | ||
| Synonyms |
20(R)-ginsenoside Rg3; CHEMBL1095008; (R)Ginsenoside-Rg3; (20R)Ginsenoside Rg3; 20(R)-propanaxidiol; (R)-Ginsenoside Rg3; BDBM50317536; MFCD11045225; s9021; ZINC96085899; AKOS027251123; CCG-270473; X6589; Q27136474
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|
||||
| Activity |
IC50 > 200000 nM
|
[21] | |||
| Compound Name |
(6-Hydroxy-5-oxo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-2-yl)-acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL432929; BDBM50022267; ZINC26398613
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|
||||
| Activity |
IC50 = 280000 nM
|
[2] | |||
| Compound Name |
(4-Hydroxy-6-methoxy-2-methyl-chroman-4-yl)-acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL69104; BDBM50006525; (2R)-6-Methoxy-2,3-dihydro-4alpha-hydroxy-2alpha-methyl-4H-1-benzopyran-4-acetic acid
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|
||||
| Activity |
IC50 = 281000 nM
|
[14] | |||
| Compound Name |
4-Hydroxycoumarin
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|
Investigative | Compound Info | ||
| Synonyms |
4-Coumarinol; 4-Hydroxy-2H-chromen-2-one; Benzotetronic acid; 2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-; Coumarin, 4-hydroxy-; 4-Hydroxy-2H-1-benzopyran-2-one; 4-hydroxychromen-2-one; 4-Hydroxy-chromen-2-one; 4-Hydroxy coumarin; MFCD00006856; 4-HYDROXY-1-BENZOPYRAN-2-ONE; 4-hydroxy-2-chromenone; UNII-X954ZLL2RD; 2-Hydroxychromone; 4-hydroxy-2H-benzo[b]pyran-2-one; 4-Hydroxycoumarin, 98%; 4H-1-Benzopyran-4-one, 2-hydroxy-; X954ZLL2RD; CHEMBL301141; NSC11889; 4-hydroxy-coumarin; EINECS 214-060-2; NSC 11889; BRN 0129768; hydroxychromone; AI3-52393; 4-hyroxycoumarin; 4- Hydroxycoumarin; 4-hydroxyl coumarin; 4-Monohydroxycoumarin; PubChem8693; ACMC-1BO7V; CBiol_000838; WLN: T66 BOVJ EQ; 5-18-01-00378 (Beilstein Handbook Reference); KSC175M9D; MLS004491719; SCHEMBL131312; Coumarin, 4-hydroxy- (8CI); MEGxm0_000452; SCHEMBL1961365; DTXSID8061472; ACon1_001952; CTK0H5691; 4-Hydroxy-2H-chromen-2-one #; DTXSID50944748; HMS1607G02; 4-hydroxy-2-oxo-2H-1-benzopyran; 2-Hydroxy-4H-1-benzopyran-4-one; BCP31120; HY-N6856; STR01861; ANW-15833; BBL027616; BDBM50055710; ICCB4_000134; NSC-11889; SBB038533; STK801816; ZINC18154848; ZINC96006086; AKOS000119142; AKOS037515220; AM84328; DB03410; EBD2035794; LS40467; MCULE-5951606896; NCGC00179970-01; AC-13227; AK-49238; NCI60_000453; SC-00282; SMR000112320; SY001614; AB0004657; DB-014485; BB 0220623; CS-0015925; EU-0066799; FT-0602218; FT-0660645; ST50211285; A-9316; C20414; 4-Hydroxycoumarin, Vetec(TM) reagent grade, 98%; SR-01000389319; J-515519; J-620003; SR-01000389319-1; 4-Hydroxy-2H-1-benzopyran-2-one (4-Hydroxycoumarin); BRD-K48844111-001-01-4; Q25323691; Z56922074; 4-HYDROXY-1-BENZOPYRAN-2-ONE; 4-HYDROXYCOUMARIN; F0266-2972; 4-Hydroxy Coumarin;4-Coumarinol;4-Hydroxy-2H-chromen-2-one
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||||
| Activity |
IC50 > 400000 nM
|
[3] | |||
| Compound Name |
Vitexin
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|
Investigative | Compound Info | ||
| Synonyms |
Apigenin 8-C-glucoside; Vitxein; UNII-9VP70K75OK; 9VP70K75OK; MFCD00017456; Flavone, 8-D-glucosyl-4',5,7-trihydroxy-; 8-beta-D-Glucopyranosyl-apigenin; EINECS 222-963-8; Vitexin,(S); Vitexin, analytical standard; 8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; SCHEMBL25277; CHEMBL487417; CTK8F0956; DTXSID90190287; Apigenin 8-C-.beta.-D-glucoside; ACT02625; HY-N0013; ZINC4245684; BDBM50362886; s9192; AKOS025311479; AC-6086; CCG-208516; 5,7-dihydroxy-8-beta-d-glucopyranosyl-2-(4-hydroxyphenyl)-4h-1-benzopyran-4-one; NCGC00163642-01; AS-55909; SC-45938; (hydroxymethyl)tetrahydro-2H-pyran-2-yl)-; CS-0007090; N1319; V0191; A12135; C01460; 681V934; Q259075; Vitexin, primary pharmaceutical reference standard; Q-100437; 8-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-; 5,7,4'-Trihydroxyflavone 8-C-.beta.-D-glucopyranoside; Vitexin, United States Pharmacopeia (USP) Reference Standard
Click to Show/Hide
|
||||
| Activity |
IC50 = 566660 nM
|
[13] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Targeting aldose reductase for the treatment of diabetes complications and inflammatory diseases: new insights and future directions. J Med Chem. 2015 Mar 12;58(5):2047-67. | ||||
| REF 2 | Antiinflammatory and aldose reductase inhibitory activity of some tricyclic arylacetic acids. J Med Chem. 1986 Nov;29(11):2347-51. | ||||
| REF 3 | 6,7-Dihydroxy-4-phenylcoumarin as inhibitor of aldose reductase 2. Bioorg Med Chem Lett. 2010 Oct 1;20(19):5630-3. | ||||
| REF 4 | Selective inhibition of the tumor marker aldo-keto reductase family member 1B10 by oleanolic acid. J Nat Prod. 2011 May 27;74(5):1201-6. | ||||
| REF 5 | Design, synthesis and evaluation of caffeic acid phenethyl ester-based inhibitors targeting a selectivity pocket in the active site of human aldo-keto reductase 1B10. Eur J Med Chem. 2012 Feb;48:321-9. | ||||
| REF 6 | Flavones Inhibit the Activity of AKR1B10, a Promising Therapeutic Target for Cancer Treatment. J Nat Prod. 2015 Nov 25;78(11):2666-74. | ||||
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| REF 8 | US patent application no. 9271961B2, Bifunctional AKR1C3 inhibitors/androgen receptor modulators and methods of use thereof | ||||
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