Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T87024 | Target Info | |||
| Target Name | Amyloid beta A4 protein (APP) | ||||
| Synonyms |
Protease nexin-II; PreA4; PN-II; Cerebral vascular amyloid peptide; CVAP; Amyloid-beta precursor protein; Amyloid-beta A4 protein; Alzheimer disease amyloid protein; APPI; APP; AD1; ABPP; A4
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| Target Type | Successful Target | ||||
| Gene Name | APP | ||||
| Biochemical Class | Amyloid beta-protein peptide | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 84 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
MCI-186
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Approved | Compound Info | ||
| Synonyms |
Edarabone; Edaravone; Methylphenylpyrazolone; Monopyrazolone; Norantipyrine; Norphenazone; Phenylmethylpyrazolone; Radicut; Developer Z; Edaravone [INN]; Phenyl methyl pyrazolone; CDS1_000986; CI Developer 1; IN1263; M0687; MCI 186; Edaravone(jan); Radicut (TN); AE-641/00371017; C.I. Developer 1; Edaravone (JAN/INN); (MCI-186); 1-Fenyl-3-methyl-2-pyrazolin-5-on; 1-Fenyl-3-methyl-2-pyrazolin-5-on [Czech]; 1-Phenyl-3-methyl-5-oxo-2-pyrazoline; 1-Phenyl-3-methyl-5-pyrazolone; 1-Phenyl-3-methylpyrazolone; 1-Phenyl-3-methylpyrazolone-5; 2,4-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one; 3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE; 3-Methyl-1-phenyl-2-pyrazoline-5-one; 3-Methyl-1-phenyl-5-pyrazolone; 3-Methyl-1-phenylpyrazol-5-one; 5-Methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one; 5-methyl-2-phenyl-4H-pyrazol-3-one
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
P-coumaric acid derivative 2
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Patented | Compound Info | ||
| Synonyms |
PMID26815044-Compound-59
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| Activity |
EC50 = 69000 nM
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[2] | |||
| Compound Name |
FERULIC ACID
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Patented | Compound Info | ||
| Synonyms |
ferulic acid; trans-Ferulic Acid; 1135-24-6; 4-Hydroxy-3-methoxycinnamic acid; 537-98-4; trans-4-Hydroxy-3-methoxycinnamic acid; 3-(4-Hydroxy-3-methoxyphenyl)acrylic acid; (E)-Ferulic acid; ferulate; Coniferic acid; Ferulic acid, trans-; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; Cinnamic acid, 4-hydroxy-3-methoxy-; 3-methoxy-4-hydroxycinnamic acid; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; UNII-AVM951ZWST; Cinnamic acid, 4-hydroxy-3-methoxy-, (E)-
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
PMID26394986-Compound-44
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Patented | Compound Info | ||
| Activity |
IC50 = 100000 nM
|
[4] | |||
| Compound Name |
Flavonoid derivative 4
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Patented | Compound Info | ||
| Synonyms |
PMID26394986-Compound-48
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| Activity |
IC50 = 124600 nM
|
[5] | |||
| Compound Name |
CLIOQUINOL
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Withdrawn from market | Compound Info | ||
| Synonyms |
clioquinol; 130-26-7; 5-Chloro-7-iodoquinolin-8-ol; Iodochlorhydroxyquin; Chinoform; Chloroiodoquin; Chloroiodoquine; 5-Chloro-8-hydroxy-7-iodoquinoline; Iodochloroxyquinoline; Cliquinol; Vioform; Iodochlorohydroxyquinoline; Chlorojodochin; Iodochloroxine; Iodochloroquine; Enteroquinol; Iodoenterol; 7-Iodo-5-chloroxine; Entero-Vioform; 5-Chloro-7-iodo-8-quinolinol; Iodochlorhydroxyquinoline; Iodoxyquinoline; Rheaform; Quinoform; Quinambicide; Lekosept; Dioquinol; Dermaform; Iodenterol; Entrokin; Enteroseptol; Domeform; Barquinol
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| Activity |
IC50 = 100000 nM
|
[4] | |||
| Compound Name |
ROSMARINIC ACID
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Investigative | Compound Info | ||
| Synonyms |
rosmarinic acid; 20283-92-5; Rosemary acid; (R)-rosmarinic acid; UNII-MQE6XG29YI; Rosmarinate; MQE6XG29YI; CHEMBL324842; CHEBI:50371; Labiatenic acid; C18H16O8; (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid; 3,4-Dihydroxycinnamic acid (R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl ester; (2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid; 537-15-5; Rosemaric acid; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-propanoic acid
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| Activity |
EC50 = 57200 nM
|
[6] | |||
| Compound Name |
KAEMPFEROL
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Investigative | Compound Info | ||
| Synonyms |
kaempferol; 520-18-3; Kaempherol; Kempferol; Trifolitin; Populnetin; Robigenin; Rhamnolutein; Pelargidenolon; Rhamnolutin; Swartziol; Indigo Yellow; Kampherol; Nimbecetin; Kampferol; Campherol; Kaemferol; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; 5,7,4'-Trihydroxyflavonol; Pelargidenolon 1497; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; C.I. 75640; CCRIS 41; NSC 407289; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphe
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| Activity |
IC50 = 75100 nM
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[5] | |||
| Compound Name |
Chlorogenic acid
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Investigative | Compound Info | ||
| Synonyms |
CHLOROGENIC ACID; 327-97-9; 3-Caffeoylquinic acid; 3-O-Caffeoylquinic acid; 3-(3,4-Dihydroxycinnamoyl)quinic acid; Chlorogenate; Heriguard; Hlorogenic acid; Caffeoyl quinic acid; NSC-407296; 3-Caffeoylquinate; UNII-318ADP12RI; 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid; CCRIS 1400; Chlorogenic acid (8CI); EINECS 206-325-6; NSC 70861; NSC 407296; 3-trans-Caffeoylquinic acid; CHEMBL284616; 318ADP12RI; CHEBI:16112; 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); 3-(3,4-Dihydroxycinnamoyl)quinate
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| Activity |
IC50 = 92900 nM
|
[7] | |||
| Compound Name |
cinnamic acid
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Investigative | Compound Info | ||
| Synonyms |
CINNAMIC ACID; TRANS-CINNAMIC ACID; 140-10-3; 621-82-9; (E)-Cinnamic acid; trans-3-Phenylacrylic acid; 3-Phenylacrylic acid; Phenylacrylic acid; Zimtsaeure; (2E)-3-phenylprop-2-enoic acid; 3-phenylprop-2-enoic acid; E-Cinnamic Acid; 3-Phenylpropenoic acid; (E)-3-phenylprop-2-enoic acid; trans-beta-Carboxystyrene; Benzenepropenoic acid; trans-Cinnamate; (E)-3-Phenyl-2-propenoic acid; (E)-cinnamate; Benzeneacrylic acid; trans-3-Phenyl-2-propenoic acid; Cinnamylic acid; Cinnamic acid, (E)-; t-Cinnamic acid; (2E)-3-Phenyl-2-propenoic
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
APIGENIN
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Investigative | Compound Info | ||
| Synonyms |
apigenin; 520-36-5; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; Chamomile; Versulin; Spigenin; Apigenol; 4',5,7-Trihydroxyflavone; Apigenine; C.I. Natural Yellow 1; 5,7,4'-Trihydroxyflavone; Pelargidenon 1449; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; UCCF 031; NSC 83244; UNII-7V515PI7F6; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; CCRIS 3789; CHEBI:18388; CHEMBL28; EINECS 208-292-3; 4H-1-Benzopyran-4-one, 5,7-di
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| Activity |
IC50 = 176200 nM
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[5] | |||
| Compound Name |
(E)-3-(3-Benzyl-2-methyl-4-oxoquinazolin-7-yl)-N-hydroxyprop-2-enamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425957; SCHEMBL15301498; SCHEMBL15301500; (E)-3-(2-Methyl-3-benzyl-4-oxo-3,4-dihydroquinazoline-7-yl)-N-hydroxyacrylamide
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| Activity |
IC50 ~ 50000 nM
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[8] | |||
| Compound Name |
(E)-N-Hydroxy-3-(2-methyl-4-oxo-3-phenylquinazolin-5-yl)prop-2-enamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425953; SCHEMBL15301626; SCHEMBL15301628
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| Activity |
IC50 ~ 50000 nM
|
[8] | |||
| Compound Name |
3-Methyl-1-(2-methylphenyl)-4,5-dihydro-1H-pyrazol-5-one
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Investigative | Compound Info | ||
| Synonyms |
MLS002695141; 3-methyl-1-(2-methylphenyl)-2-pyrazolin-5-one; NSC92786; 5-methyl-2-(2-methylphenyl)-4H-pyrazol-3-one; SCHEMBL4664740; CHEMBL1880288; CTK4G2935; DTXSID90293883; 3-Methyl-1-o-tolyl-5-pyrazolone; HMS3079K03; 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(2-methylphenyl)-; ZINC4933476; NSC-92786; SBB040982; AKOS000269645; NE41818; SMR001561053; 5-methyl-2-(o-tolyl)-4H-pyrazol-3-one; DB-124033; ST50214626; 3-Methyl-1-(o-tolyl)-1H-pyrazol-5(4H)-one; 5-Methyl-2-o-tolyl-2,4-dihydropyrazol-3-one; 5-Methyl-2-o-tolyl-2,4-dihydro-pyrazol-3-one; 3H-Pyrazol-3-one,2,4-dihydro-5-methyl-2-(2-methylphenyl)-
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
3-Methyl-1-p-tolyl-5-pyrazolone
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Investigative | Compound Info | ||
| Synonyms |
3-Methyl-1-(p-tolyl)-1H-pyrazol-5(4H)-one; 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one; 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-methylphenyl)-; 1-(p-Tolyl)-3-methyl-5-pyrazolone; 5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one; 3-Methyl-1-p-tolyl-pyrazolin-5-one; 2-Pyrazolin-5-one, 3-methyl-1-p-tolyl-; 5-Methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one; 3-Methyl-1-(p-tolyl)-2-pyrazolin-5-one; 3-methyl-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-one; Tolylmethylpyrazolone; EINECS 201-708-4; BRN 0610651; 2-Pyrazolin-5-one, 3-methyl-1-(4-methylphenyl)-; 5-methyl-2-(p-tolyl)-4H-pyrazol-3-one; 3-methyl-1-p-tolyl-1H-pyrazol-5(4H)-one; EC 201-708-4; ARONIS022638; SCHEMBL2203669; CHEMBL3740157; DTXSID6052588; IOQOLGUXWSBWHR-UHFFFAOYSA-; KS-00000VZC; HMS1668I09; ALBB-030571; KS-00004DU8; ZINC4747108; 1-(p-Tolyl)-3-methylpyrazolone-5; MFCD00035708; STK047562; AKOS000289051; METHYL5-AMINO-2-FLUOROBENZOATE; MCULE-2365174744; SDCCGMLS-0066222.P001; 3-Methyl-1-p-tolyl-5-pyrazolone,97%; AC-14556; ST021041; FT-0631410; M0554; 5-methyl-2-p-tolyl-2,4-dihydropyrazol-3-one; 5E-930; 3-methyl-1-(4-methylphenyl)-2-pyrazolin-5-one; 035M708; SR-01000467427; SR-01000467427-1; W-109315; Q27281606; 5-Methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one #; 5-Methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one, AldrichCPR
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| Activity |
IC50 ~ 50000 nM
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[1] | |||
| Compound Name |
5-Methyl-2-(3-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
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Investigative | Compound Info | ||
| Synonyms |
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(3-methylphenyl)-; 5-methyl-2-(3-methylphenyl)-4H-pyrazol-3-one; CHEMBL3742311; CTK6C1254; 3-methyl-1-(3-methylphenyl)-4,5-dihydro-1H-pyrazol-5-one; 3-Methyl-1-m-tolyl-5-pyrazolone; BBL038177; MFCD03167125; STK347783; ZINC18217719; AKOS000269644; MCULE-9668177085; 5-methyl-2-(m-tolyl)-4H-pyrazol-3-one; DB-122747; 3-Methyl-1-(m-tolyl)-1H-pyrazol-5(4H)-one; 5-Methyl-2-m-tolyl-2,4-dihydropyrazol-3-one
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| Activity |
IC50 ~ 50000 nM
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[1] | |||
| Compound Name |
(E)-N-Hydroxy-3-(2-methyl-4-oxo-3-phenylquinazolin-8-yl)prop-2-enamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425956; SCHEMBL15301884; SCHEMBL15301885
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| Activity |
IC50 ~ 50000 nM
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[8] | |||
| Compound Name |
2-(2,6-Dimethoxypyrimidin-4-yl)-5-methyl-4H-pyrazol-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3742036; BDBM50135202
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| Activity |
IC50 ~ 50000 nM
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[1] | |||
| Compound Name |
(E)-N-Hydroxy-3-[3-[2-(1H-indol-3-yl)ethyl]-2-methyl-4-oxoquinazolin-7-yl]prop-2-enamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425959; SCHEMBL15301600; SCHEMBL15301601; (E)-3-[2-Methyl-3-[2-(1H-indole-3-yl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-yl]-N-hydroxyacrylamide
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| Activity |
IC50 ~ 50000 nM
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[8] | |||
| Compound Name |
(E)-N-Hydroxy-3-(2-methyl-4-oxo-3-phenylquinazolin-6-yl)prop-2-enamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425954; SCHEMBL15302142; SCHEMBL15302143
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| Activity |
IC50 ~ 50000 nM
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[8] | |||
| Compound Name |
(E)-3-(2-Ethyl-3-phenethyl-4-oxo-3,4-dihydroquinazoline-7-yl)-N-hydroxyacrylamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425961; SCHEMBL15301547; SCHEMBL15301548; (E)-3-[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-7-yl]-N-hydroxyprop-2-enamide
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| Activity |
IC50 ~ 50000 nM
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[8] | |||
| Compound Name |
2-(5-Fluoro-2-methylphenyl)-5-methyl-4H-pyrazol-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3742186; BDBM50135203
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| Activity |
IC50 ~ 50000 nM
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[1] | |||
| Compound Name |
1-(2-Naphthyl)-3-methyl-1H-pyrazole-5(4H)-one
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Investigative | Compound Info | ||
| Synonyms |
3-methyl-1-(naphthalen-2-yl)-1h-pyrazol-5(4h)-one; CHEMBL3739456
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| Activity |
IC50 ~ 50000 nM
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[1] | |||
| Compound Name |
3-Methyl-1-(pyridin-3-yl)-1h-pyrazol-5(4h)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3740667; SCHEMBL3260031; BDBM50135198; 5-methyl-2-pyridin-3-yl-4H-pyrazol-3-one
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| Activity |
IC50 ~ 50000 nM
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[1] | |||
| Compound Name |
(E)-N-Hydroxy-3-(2-methyl-4-oxo-3-phenylquinazolin-7-yl)prop-2-enamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425955; SCHEMBL15301443; SCHEMBL15301444
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| Activity |
IC50 ~ 50000 nM
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[8] | |||
| Compound Name |
2-(3-Fluoro-5-methoxyphenyl)-5-methyl-4H-pyrazol-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3739947
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| Activity |
IC50 ~ 50000 nM
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[1] | |||
| Compound Name |
3H-Pyrazol-3-one, 2,4-dihydro-2-(3-methoxyphenyl)-5-methyl-
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3740705; 1-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5(4H)-one; 2-(3-methoxyphenyl)-5-methyl-4H-pyrazol-3-one; SCHEMBL4662941; CTK2E9062; DTXSID40437038; BDBM50134228
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| Activity |
IC50 ~ 50000 nM
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[1] | |||
| Compound Name |
(E)-3-(3-Phenethyl-4-oxo-3,4-dihydroquinazoline-7-yl)-N-hydroxyacrylamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425960; SCHEMBL15301971; SCHEMBL15301973; (E)-N-hydroxy-3-[4-oxo-3-(2-phenylethyl)quinazolin-7-yl]prop-2-enamide
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| Activity |
IC50 ~ 50000 nM
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[8] | |||
| Compound Name |
(E)-3-(2-Methyl-3-phenethyl-4-oxo-3,4-dihydroquinazoline-7-yl)-N-hydroxyacrylamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425958; SCHEMBL15302227; SCHEMBL15302229; BDBM50440046; (E)-N-hydroxy-3-[2-methyl-4-oxo-3-(2-phenylethyl)quinazolin-7-yl]prop-2-enamide
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| Activity |
IC50 ~ 50000 nM
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[8] | |||
| Compound Name |
3H-Pyrazol-3-one, 2-(2-ethylphenyl)-2,4-dihydro-5-methyl-
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Investigative | Compound Info | ||
| Synonyms |
2-(2-ethylphenyl)-5-methyl-4H-pyrazol-3-one; CHEMBL3740761; 1-(2-Ethylphenyl)-3-methyl-2-pyrazolin-5-on; 1-(o-Ethylphenyl)-3-methyl-2-pyrazolin-5-one; EINECS 205-034-1; 2,4-Dihydro-3-methyl-2-phenethyl-3H-pyrazol-3-one; 1-(2-Ethylphenyl)-3-methyl-1H-pyrazol-5(4H)-one; DTXSID0059619; SCHEMBL10597685; CTK4B7430; Pyrazole, 1-(2-ethylphenyl)-4,5-dihydro-3-methyl-1H-3-oxo-; BDBM50135197; 1-(2-ethylphenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one; 3H-Pyrazol-3-one,2-(2-ethylphenyl)-2,4-dihydro-5-methyl-
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| Activity |
IC50 ~ 50000 nM
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[1] | |||
| Compound Name |
1-(2,5-Dimethylphenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3740979; 2-(2,5-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one; SCHEMBL17059013; CTK6B7100; 1-(2,5-dimethylphenyl)-3-methyl-1H-pyrazol-5(4H)-one; ZINC3887163; BDBM50135201; AKOS008957056; MCULE-5597976076; NE38761; EN300-07939; SR-01000049438; SR-01000049438-1; Z50147461
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| Activity |
IC50 ~ 50000 nM
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[1] | |||
| Compound Name |
5-Methyl-2-[4-(trifluoromethyl)phenyl]-2,4-dihydropyrazol-3-one
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL4322399; CHEMBL3740346; 5-methyl-2-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one; AKOS017581199; 1-[4-(Trifluoromethyl)phenyl]-3-methyl-5(4H)-pyrazolone
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
2-(3-Fluoro-4-methylphenyl)-5-methyl-4H-pyrazol-3-one
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL4336156; CHEMBL3741408
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| Activity |
IC50 ~ 50000 nM
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[1] | |||
| Compound Name |
5-Methyl-2-[4-(N-phenylanilino)phenyl]-4H-pyrazol-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3739861; BDBM50134229
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
4-(4-Methoxy-benzenesulfonyl)-4-(2-methoxy-phenyl)-piperidine-1-carboxylic acid ethyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL182768; BDBM50164000
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| Activity |
EC50 = 50600 nM
|
[9] | |||
| Compound Name |
Benzyl (2S)-2-[[(2S)-5-[[2-[[9-[4-[methyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]butylamino]-5,6,7,8-tetrahydroacridin-4-yl]amino]-2-oxoethyl]amino]-5-oxo-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]pentanoyl]amino]-3-phenylpropanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3099500; BDBM50005188
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| Activity |
IC50 = 51000 nM
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[10] | |||
| Compound Name |
Chembl4159496
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Investigative | Compound Info | ||
| Synonyms |
BDBM50276919
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| Activity |
EC50 = 54800 nM
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[2] | |||
| Compound Name |
Datiscetin
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Investigative | Compound Info | ||
| Synonyms |
3,5,7,2'-Tetrahydroxyflavone; 3,5,7-trihydroxy-2-(2-hydroxyphenyl)chromen-4-one; UNII-M8C5EH705I; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-; M8C5EH705I; 3,5,7-Trihydroxy-2-(2-hydroxyphenyl)-4-benzopyrone; 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-4-one; 2-(2-hydroxyphenyl)-3,5,7-tris(oxidanyl)chromen-4-one; 2',3,5,7-Tetrahydroxyflavone; Datiscetin (16); EINECS 207-541-3; SCHEMBL43916; CHEMBL503168; DTXSID50197378; BDBM153270; ZINC6095498; LMPK12111622; MFCD00017307; CCG-208384; VA10670; NCGC00163533-01; DB-051496; FT-0603128; ST50309298; C10036; A827421; SR-05000002281; SR-05000002281-2; Q27105031; 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-1-benzopyran-4-one; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(2-hydroxyphenyl)-
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| Activity |
IC50 = 55400 nM
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[11] | |||
| Compound Name |
1-[3-Fluoro-4-[3-fluoro-4-(4-fluorophenyl)phenyl]phenyl]cyclopropane-1-carboxylic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL427548; SCHEMBL5448540; BDBM50172465; 1-(4,2'',2''''-Trifluoro-[1,1'';4'',1'''']terphenyl-4''''-yl)-cyclopropanecarboxylic acid
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| Activity |
IC50 = 57900 nM
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[12] | |||
| Compound Name |
4-Chloro-N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-methylphenyl]benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2063873; Bio1C4; Maybridge1_000807; HMS543M15; BDBM50485496
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| Activity |
IC50 = 62000 nM
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[13] | |||
| Compound Name |
4-Benzenesulfonyl-4-(2-methoxy-phenyl)-piperidine-1-carboxylic acid ethyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL183806; BDBM50164002
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| Activity |
EC50 = 62700 nM
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[9] | |||
| Compound Name |
2-[4-(3,5-Dichlorophenyl)-3-fluorophenyl]propanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL193900; BDBM50172472; 2-(3'',5''-Dichloro-2-fluoro-biphenyl-4-yl)-propionamide
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| Activity |
IC50 = 64000 nM
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[12] | |||
| Compound Name |
Brevione M
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3739499; BDBM50499717
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| Activity |
EC50 = 65400 nM
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[6] | |||
| Compound Name |
[(3S)-2-[[1-[[(3S)-2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methyl]triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-3-yl]methanol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3883958; BDBM50209786; J3.603.351G
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| Activity |
IC50 = 66360 nM
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[14] | |||
| Compound Name |
2-[3-Fluoro-4-(4-methoxyphenyl)phenyl]propanoic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL196321; SCHEMBL5142539; BDBM50172476; 2-(2-Fluoro-4''-methoxy-biphenyl-4-yl)-propionic acid
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| Activity |
IC50 = 67000 nM
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[12] | |||
| Compound Name |
Methyl caffeate
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Investigative | Compound Info | ||
| Synonyms |
methyl 3-(3,4-dihydroxyphenyl)acrylate; Caffeic acid methyl ester; (E)-methyl 3-(3,4-dihydroxyphenyl)acrylate; METHYLCAFFEATE; Caffeic acid, methyl ester; UNII-N79173B9HF; methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; Methyl 3,4-dihydroxycinnamate; CHEMBL17001; methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate; methyl (2E)-3-(3,4-dihydroxyphenyl)acrylate; N79173B9HF; methyl (E)-3-(3,4-dihydroxyphenyl)acrylate; methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; MFCD00210468; 3,4-dihydroxycinnamic acid methyl ester; Caffeic acid methyl; METHYL CAFFEOATE; 3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester; E-Caffeic acid methyl ester; (E)-Caffeic acid methyl ester; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester, (2E)-; ZINC58222; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester; ALBB-024360; 4978AB; BDBM50029209; SBB000325; STK523948; AKOS003263230; MCULE-5269580490; AS-56651; AS-65428; SC-88492; ST094769; Methyl 1-(3',4'-Dihydroxyphenyl)Propenate; R2609; C10477; Methyl 1-(3'',4''-dihydroxyphenyl)propenate; A824271; methyl (E)-3-(3,4-dihydroxyphenyl)-2-propenoate; J-502041; Q6823935; (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester; methyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate; (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid methyl ester; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester, (E)-
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| Activity |
EC50 = 67700 nM
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[2] | |||
| Compound Name |
2-[2-Fluoro-4'-(trifluoromethyl)-1,1'-biphenyl-4-yl]-2-methylpropionic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL194692; BDBM50172485; ZINC13672560; 2-(2-Fluoro-4''-trifluoromethyl-biphenyl-4-yl)-2-methyl-propionic acid; 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-2-methylpropanoic acid
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| Activity |
IC50 = 70600 nM
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[12] | |||
| Compound Name |
Nodulisporiviridin D
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3582129; BDBM50091059
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| Activity |
IC50 = 71900 nM
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[15] | |||
| Compound Name |
N-Caffeoylalanine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2392127; N-caffeoyl-phenylalanine; SCHEMBL3788436; SCHEMBL3788440; BDBM50272459; N-[3-(3,4-Dihydroxyphenyl)propenoyl]-L-phenylalanine
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| Activity |
IC50 = 72900 nM
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[16] | |||
| Compound Name |
2-(3',4'-Dichloro-2-fluoro-biphenyl-4-yl) propionic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL196279; SCHEMBL2550422; BDBM50172483; 2-[4-(3,4-dichlorophenyl)-3-fluorophenyl]propanoic acid; 2-(3'',4''-Dichloro-2-fluoro-biphenyl-4-yl)-propionic acid
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| Activity |
IC50 = 75000 nM
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[12] | |||
| Compound Name |
2-(3',5'-Dichloro-2-fluoro-biphenyl-4-yl) propionic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL195970; SCHEMBL2543081; BDBM50172469; 2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]propanoic acid; 2-(3'',5''-Dichloro-2-fluoro-biphenyl-4-yl)-propionic acid
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| Activity |
IC50 = 77000 nM
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[12] | |||
| Compound Name |
Chembl4167402
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Investigative | Compound Info | ||
| Synonyms |
BDBM50276904
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| Activity |
EC50 = 80100 nM
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[2] | |||
| Compound Name |
1-[3-Fluoro-4-[4-(oxan-4-yloxy)phenyl]phenyl]cyclopropane-1-carboxylic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL382721; SCHEMBL1373512; BDBM50172471; 1-[2-Fluoro-4''-(tetrahydro-pyran-4-yloxy)-biphenyl-4-yl]-cyclopropanecarboxylic acid
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| Activity |
IC50 = 81000 nM
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[12] | |||
| Compound Name |
2-(4-Benzo[b]thiophen-3-yl-3-fluoro-phenyl)-propionic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL194274; BDBM50172480
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| Activity |
IC50 = 83000 nM
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[12] | |||
| Compound Name |
US9056857, (trans)-31
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3692699; SCHEMBL15046173; BDBM162707
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| Activity |
IC50 = 84000 nM
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[17] | |||
| Compound Name |
Chembl4207221
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Investigative | Compound Info | ||
| Synonyms |
BDBM50458015
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| Activity |
IC50 = 85500 nM
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[18] | |||
| Compound Name |
N-[3',4'-Dihydroxy-(E)-cinnamoyl]-L-tyrosine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4126715; caffeoyl-tyrosine; N-Caffeoyltyrosine; BDBM50272439; ZINC14824980; (2S)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic Acid; N-[3-(3,4-Dihydroxyphenyl)acryloyl]-L-tyrosine
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| Activity |
IC50 = 87800 nM
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[16] | |||
| Compound Name |
(1'S,3R,7'S,9'S)-7,7,10',10',13'-Pentamethylspiro[1H-pyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,4',14'-trione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3740688; BDBM50499718
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| Activity |
EC50 = 89900 nM
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[6] | |||
| Compound Name |
Nodulisporiviridin A
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3582126; BDBM50091056
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| Activity |
IC50 = 95900 nM
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[15] | |||
| Compound Name |
1-(4-Benzo[b]thiophen-3-yl-3-fluoro-phenyl)-cyclopropanecarboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL196946; SCHEMBL1372788; CTK3C7068; DTXSID30470974; BDBM50172468; Cyclopropanecarboxylic acid, 1-(4-benzo[b]thien-3-yl-3-fluorophenyl)-; 1-[4-(1-BENZOTHIOPHEN-3-YL)-3-FLUOROPHENYL]CYCLOPROPANE-1-CARBOXYLIC ACID
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| Activity |
IC50 = 96300 nM
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[12] | |||
| Compound Name |
4-(4-Methoxy-benzenesulfonyl)-4-phenyl-piperidine-1-carboxylic acid ethyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL360740; BDBM50163997
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| Activity |
EC50 = 97000 nM
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[9] | |||
| Compound Name |
29-N-Demethylparaherquamide K
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3740785; BDBM50499715
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| Activity |
EC50 = 97900 nM
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[6] | |||
| Compound Name |
Methyl chlorogenate
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Investigative | Compound Info | ||
| Synonyms |
Chlorogenic acid methyl ester; 3-O-Caffeoylquinic acid methyl ester; UNII-E6GC3KV7JK; E6GC3KV7JK; CHEMBL416955; Methyl 5-o-caffeoylquinate; Chlorogenic acid, methyl ester; Methyl Chlorogenic Acid; MZNIJRAPCCELQX-AWOKGZDASA-; HY-N4168; ZINC6482465; BDBM50343049; NSC741645; AKOS037514511; MCULE-6384786021; NSC-741645; CS-0032297; Q27276938
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
2-Oxo-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]chromene-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3326698; BDBM50056106
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| Activity |
IC50 ~ 100000 nM
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[19] | |||
| Compound Name |
3-(5-(3-(Dimethylamino)phenoxy)pyrimidin-2-ylamino)phenol
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Investigative | Compound Info | ||
| Synonyms |
SEN-1269; 3-[[5-[3-(dimethylamino)phenoxy]-2-pyrimidinyl]amino]phenol; SEN 1269; 3-((5-(3-(Dimethylamino)phenoxy)pyrimidin-2-yl)amino)phenol; 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol; 3-({5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl}amino)phenol; SCHEMBL3602388; CHEMBL2386874; CTK5H7888; DTXSID40676566; 4350AF; ZINC49582255; AKOS015850742; NCGC00387448-01; DB-080315; FT-0682533
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| Activity |
IC50 = 100000 nM
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[4] | |||
| Compound Name |
Sarsasapogenin
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Investigative | Compound Info | ||
| Synonyms |
Parigenin; Sarsagenin; (25S)-5beta-Spirostan-3beta-ol; Sarsapogenine; sarsapogenin; Sarsasapogenenin; UNII-CFS802C28F; Spirostan-3-ol, (3b,5b,25S)-; CFS802C28F; (3beta,5beta,25S)-spirostan-3-ol; MFCD00270414; Spirostan-3-ol, (3beta,5beta,25S)-; Sasarasapogenin; Spirostan-3-ol, (3beta,5beta,25S)- (9CI); Spirostan-3-ol; Sarsagenin [INN]; SR-05000002243; cogan; sarsasopogenin; Sarsasapogenine; Sarsasapogenin;; Parigenin;; (25S)-5-beta-spirostan-3-beta-ol; NSC 1615; EINECS 204-776-3; Sarsasapogenin, 95%; Sarsasapogenin, >=98%; (25S)-Spirostan-3beta-ol; (25S)-5-spirostan-3-ol; SCHEMBL180164; CHEMBL1171146; DTXSID00903921; HY-N0073; ZINC8218968; 2770AC; BDBM50442865; LMST01080007; s3607; AKOS015960455; ACN-035281; CCG-208441; CS-7949; AC-11191; SC-15309; 5beta-Spirostan-3beta-ol, (25S)- (8CI); N1451; Resorufin-; A-D-glucuronide sodium salt, 98%; C03963; Q7424590; SR-05000002243-2; SR-05000002243-3; SR-05000002243-4
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| Activity |
IC50 ~ 100000 nM
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[20] | |||
| Compound Name |
2-Oxo-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]chromene-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3326704; BDBM50056107; 2-Oxo-N-[6-[(1,2,3,4-tetrahydroacridine-9-yl)amino]hexyl]-2H-1-benzopyran-3-carboxamide
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| Activity |
IC50 ~ 100000 nM
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[19] | |||
| Compound Name |
Chembl4125745
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Investigative | Compound Info | ||
| Synonyms |
BDBM50272458
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| Activity |
IC50 ~ 100000 nM
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[16] | |||
| Compound Name |
3-Hydroxycinnamic acid
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Investigative | Compound Info | ||
| Synonyms |
M-COUMARIC ACID; 3-Coumaric acid; m-Hydroxycinnamic acid; trans-3-Hydroxycinnamic acid; (E)-3-(3-Hydroxyphenyl)acrylic acid; trans-3-Hydroxycinnamate; trans-m-Coumaric Acid; 3-(3-Hydroxyphenyl)acrylic acid; (2E)-3-(3-hydroxyphenyl)acrylic acid; Cinnamic acid, m-hydroxy-; trans-3-coumaric acid; 2-propenoic acid, 3-(3-hydroxyphenyl)-, (2E)-; (2E)-3-(3-hydroxyphenyl)prop-2-enoic acid; (E)-3-(3-hydroxyphenyl)prop-2-enoic acid; (E)-3-(3-Hydroxyphenyl)-2-propenoic acid; 3'-Hydroxycinnamic acid; UNII-KWJ2DDJ34H; MFCD00004390; 2-Propenoic acid, 3-(3-hydroxyphenyl)-; (2E)-3-(3-Hydroxyphenyl)-2-propenoic acid; NSC 28956; NSC 50308; KWJ2DDJ34H; 3-(3-hydroxyphenyl)-2-propenoic acid; 3-(3-hydroxyphenyl)prop-2-enoic acid; CHEMBL98521; 3-(3-Hydroxyphenyl)acrylsaeure; 2-Propenoic acid, 3-(3-hydroxyphenyl)-, (E)-; m-Coumarate; 3-hydroxycinnamate; (2E)-3-(3-hydroxyphenyl)prop-2-enoate; 3-(3-hydroxyphenyl)acrylate; 3-(3-hydroxyphenyl)prop-2-enoate; (2E)-3-(3-hydroxyphenyl)acrylate; trans-m-Cumaric Acid; m-Hydroxycinnamic acid, 99%, predominantly trans; (E)-3-(3-hydroxyphenyl)-2-propenoate; 3-(3-Hydroxy-phenyl)-acrylic acid; m-Hydroxycinnamate; m-hydroxy-Cinnamate; EINECS 209-615-0; 3'-Hydroxycinnamate; PubChem8222; m-hydroxy-Cinnamic acid; AI3-32389; bmse000093; Cinnamic acid, 3-hydroxy-; SCHEMBL442408; DTXSID00891551; ZINC155996; 3-(3-hydroxyphenyl)-2-Propenoate; ACT02256; ALBB-006261; NSC28956; NSC50308; m-Coumaric acid, analytical standard; trans-3-Hydroxycinnamic acid, 99%; BBL013143; BDBM50146456; NSC-28956; NSC-50308; s5586; SBB057740; STK400397; AKOS000146568; 2-Propenoicacid,3-(3-hydroxyphenyl)-; 3-(3-hydroxyphenyl)-(2E)-propenoate; CCG-266308; (E)-3-(3-hydroxyphenyl)-acrylic acid; (E)-3-(3-hydroxy-phenyl)-acrylic acid; (2E)-3-(3-hydroxyphenyl)-2-propenoate; AC-16619; AS-12450; SC-80962; ST097477; 3-(3-Hydroxyphenyl)-(2E)-propenoic acid; AB0011960; HY-113357; BB 0256480; CS-0062284; B-7286; C12621; J10101; M-2958; 2-Propenoic acid, 3-(3-hydroxyphenyl)- (9CI); A832036; J-501891; Q6712039; 358818FD-674F-4656-96AF-40F17C30F2EE
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| Activity |
IC50 ~ 100000 nM
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[3] | |||
| Compound Name |
Chembl4126073
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Investigative | Compound Info | ||
| Synonyms |
BDBM50272466
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| Activity |
IC50 ~ 100000 nM
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[16] | |||
| Compound Name |
N-Coumaroyl-3-hydroxytyrosine
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Investigative | Compound Info | ||
| Synonyms |
UNII-48U8WX77YJ; 48U8WX77YJ; CHEMBL4127947; (-)-n-[4'-hydroxy-(e)-cinnamoyl]-3-hydroxy-l-tyrosine; SCHEMBL3180744; SCHEMBL3713720; BDBM50272442; L-Tyrosine, 3-hydroxy-N-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)-; L-Tyrosine, 3-hydroxy-N-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-, (E)-; N-(4-Hydroxy-trans-cinnamoyl)-3-hydroxy-L-tyrosine; Q27259179
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| Activity |
IC50 ~ 100000 nM
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[16] | |||
| Compound Name |
Chembl4129983
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Investigative | Compound Info | ||
| Synonyms |
trans-Dideoxyclovamide; (-)-n-[4'-hydroxy-(e)-cinnamoyl]-l-tyrosine; BDBM50272457; ZINC14824976; MCULE-6845918472; NCGC00385093-01; N-[3-(4-Hydroxyphenyl)propenoyl]-L-tyrosine; (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propanoic acid; NCGC00385093-01_C18H17NO5_L-Tyrosine, N-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-
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| Activity |
IC50 ~ 100000 nM
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[16] | |||
| Compound Name |
Quinic acid
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Investigative | Compound Info | ||
| Synonyms |
D-(-)-Quinic acid; quinate; Chinic acid; Chinasaure; (-)-quinic acid; Kinic acid; L-Quinic acid; D-QUINIC ACID; L-Quinate; Rel-Quinic Acid; UNII-058C04BGYI; MFCD00003864; D(-)-Quinic acid; NSC1115; SpecPlus_000419; NSC59258; DivK1c_006515; 058C04BGYI; D-(-)-QuinicAcid; SDCCGMLS-0066613.P001; D(-)-Quinic acid, 98+%; D-(-)-Kinic Acid; D-(-)-Chinic Acid; EINECS 201-072-8; NSC 59258; 1L-1(OH),3,4/5-Tetrahydroxycyclohexanecarboxylate; C7H12O6; (-)Quinic acid; PubChem8105; D-(-)-Quinic-acid; Spectrum_001413; Spectrum2_001790; Spectrum3_001349; Spectrum4_001867; Spectrum5_000434; bmse000306; SCHEMBL39556; BSPBio_003137; KBioGR_002336; KBioSS_001893; SPECTRUM310018; KSC645E2N; MLS002207201; SPBio_001719; CHEMBL465398; MEGxp0_001735; SCHEMBL1286207; SCHEMBL1286208; SCHEMBL7923331; D-(-)-Quinic acid, 98%; ACon1_001963; CTK5E5226; KBio1_001459; KBio2_001893; KBio2_004461; KBio2_007029; KBio3_002357; D-(-)-Quinic acid; HMS3885A12; HY-N0464; KS-000014QH; NSC-1115; ZINC1764753; ANW-43810; BBL033519; BDBM50485632; CCG-38438; NSC-59258; s3886; STK801928; (-) Quinic acid, analytical standard; AKOS005622501; ZINC100009542; ZINC100076909; MCULE-1240547998; MCULE-2526162099; NCGC00178246-01; NCGC00178246-02; BP-12304; SC-06773; SMR001306762; VS-12119; CS-0008991; N1691; Q0009; Z7206; C00296; D-(-)-Quinic acid, purum, >=98.0% (T); 003D864; Q424931; W-203791; 883DE888-EC82-454C-B69C-8B1F9AC6DAA9; Z2767312005
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl] hexanoate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2386881; ZINC96927507
Click to Show/Hide
|
||||
| Activity |
IC50 = 100000 nM
|
[4] | |||
| Compound Name |
trans-Cinnamoyl-phe-OH
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3276007; Cinnamoyl-(trans)-L-phenylalanine; N-(trans-Cinnamoyl)-L-Phe-OH; SCHEMBL10725101; ZINC25156; 7807AH; BDBM50272460; MFCD00057835; N-(3-Phenylacryloyl)-L-phenylalanine; (E)-N-alpha-Cinnamoyl-L-phenylalanine; AS-46916; (S)-2-Cinnamamido-3-phenylpropanoic acid; (S,E)-2-Cinnamamido-3-phenylpropanoic acid; K-9218
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[16] | |||
| Compound Name |
Chembl4129190
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL21996039; SCHEMBL21996040; BDBM50272440; N-(4-Hydroxy-trans-cinnamoyl)-L-phenylalanine
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[16] | |||
| Compound Name |
1-[4-[4-(4,4-Dimethylcyclohexyl)phenyl]-3-fluorophenyl]cyclopropane-1-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL372751; SCHEMBL1374627; BDBM50172467; 1-[4''-(4,4-Dimethyl-cyclohexyl)-2-fluoro-biphenyl-4-yl]-cyclopropanecarboxylic acid
Click to Show/Hide
|
||||
| Activity |
IC50 = 101000 nM
|
[12] | |||
| Compound Name |
16-Deoxo-paraherquamide J
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3739748; BDBM50499721
Click to Show/Hide
|
||||
| Activity |
EC50 = 105200 nM
|
[6] | |||
| Compound Name |
Cyclopropanecarboxylic acid, 1-(2-fluoro-4'-(trifluoromethyl)(1,1'-biphenyl)-4-yl)-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHF-5022; UNII-JO8EVV007Q; JO8EVV007Q; CHEMBL196246; SCHEMBL1373506; BDBM50172463; 1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropane-1-carboxylic Acid; Q27281600; 1-(2-Fluoro-4''-trifluoromethyl-biphenyl-4-yl)-cyclopropanecarboxylic acid
Click to Show/Hide
|
||||
| Activity |
IC50 = 111000 nM
|
[12] | |||
| Compound Name |
1-[3-Fluoro-4-[3-fluoro-4-(4-hydroxyphenyl)phenyl]phenyl]cyclopropane-1-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL372846; SCHEMBL2777333; BDBM50172461; 1-(2'',2''''-Difluoro-4-hydroxy-[1,1'';4'',1'''']terphenyl-4''''-yl)-cyclopropanecarboxylic acid
Click to Show/Hide
|
||||
| Activity |
IC50 = 111000 nM
|
[12] | |||
| Compound Name |
Setosusin
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3742151; BDBM50499714
Click to Show/Hide
|
||||
| Activity |
EC50 = 112600 nM
|
[6] | |||
| Compound Name |
5-[1-(2-Fluoro-4''-trifluoromethyl-biphenyl-4-yl)-ethyl]-1H-tetrazole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL196070; BDBM50172464
Click to Show/Hide
|
||||
| Activity |
IC50 = 114000 nM
|
[12] | |||
| Compound Name |
2-[3-Fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]propanoic Acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL193971; SCHEMBL1372793; BDBM50172470; 2-(2-fluoro-4'-trifluoromethylbiphenyl-4-yl)propionic acid; 2-(2-Fluoro-4''-trifluoromethyl-biphenyl-4-yl)-propionic acid
Click to Show/Hide
|
||||
| Activity |
IC50 = 129000 nM
|
[12] | |||
| Compound Name |
US9056857, (trans)-35
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3692700; SCHEMBL15046167; BDBM162708
Click to Show/Hide
|
||||
| Activity |
IC50 = 200000 nM
|
[17] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 20 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Flurbiprofen
Click to Show/Hide
|
Approved | Compound Info | ||
| Synonyms |
Adfeed; Adofeed; Anmetarin; Ansaid; Anside; Antadys; Cebutid; FLP; Flubiprofen; Flugalin; Flurbiprofene; Flurbiprofeno; Flurbiprofenum; Fluriproben; Flurofen; Froben; Ocufen; Ocuflur; Stayban; Yakuban; Zepolas; FLURBIPROFEN SODIUM; Froben Sr; BTS 18322; F0371; FP 70; IN1332; U 27182; Ansaid (TN); Apo-Flurbiprofen; BTS-18322; Flurbiprofene [INN-French]; Flurbiprofeno [INN-Spanish]; Flurbiprofenum [INN-Latin]; Froben (TN); MKS-11; Novo-Flurprofen; Nu-Flurbiprofen; U 27,182; U-27182; L-790,330; Flurbiprofen (JP15/USP/INN); Flurbiprofen [USAN:INN:BAN:JAN]; [+/-]-2-Fluoro-alpha-methyl-4-biphenylacetic acid; (+-)-2-(2-Fluoro-4-biphenylyl)propionic acid; (+-)-2-Fluoro-alpha-methyl-4-biphenylacetic acid; (+/-)-2-Fluoro-alpha-methyl-4-biphenylacetic acid; (+/-)-2-Fluoro-alpha-methyl[1,1′ -biphenyl]-4-acetic Acid; (1)-2-Fluoro-alpha-methyl(1,1'-biphenyl)-4-acetic acid; 2-(2-Fluorobiphenyl-4-yl)propionic Acid; 2-(2-fluoro-[1,1'-biphenyl-4-yl])propanoic acid; 2-(2-fluorobiphenyl-4-yl)propanoic acid; 2-(3-fluoro-4-phenylphenyl)propanoic acid; 2-Fluoro-alpha-methyl-(1,1'-biphenyl)-4-acetic acid; 2-Fluoro-alpha-methyl-4-biphenylacetic acid; 3-Fluoro-4-phenylhydratropic acid
Click to Show/Hide
|
||||
| Activity |
IC50 = 305000 nM
|
[12] | |||
| Compound Name |
3,4-Dihydroxycinnamic Acid
Click to Show/Hide
|
Phase 4 | Compound Info | ||
| Synonyms |
Caffeic acid; caffeic acid; 3,4-Dihydroxycinnamic acid; 331-39-5; 3-(3,4-dihydroxyphenyl)acrylic acid; 501-16-6; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; 3,4-Dihydroxybenzeneacrylic acid; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; trans-caffeic acid; trans-Caffeate; 3,4-Dihydroxy-trans-cinnamate; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; Cinnamic acid, 3,4-dihydroxy-; 3-(3,4-Dihydroxyphenyl)propenoic acid; UNII-U2S3A33KVM; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene
Click to Show/Hide
|
||||
| Activity |
EC50 = 216000 nM
|
[2] | |||
| Compound Name |
R-flurbiprofen
Click to Show/Hide
|
Phase 2 | Compound Info | ||
| Synonyms |
Tarenflurbil; (R)-Flurbiprofen; 51543-40-9; Flurizan; R-Flurbiprofen; (R)-2-Flurbiprofen; (R)-2-Flubiprofen; MPC-7869; UNII-501W00OOWA; R-(-)-Flurbiprofen; (2r)-2-(3-Fluoro-4-Phenyl-Phenyl)propanoic Acid; (-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid; (R)-(-)-2-Fluoro-alpha-methyl-4-biphenylacetic acid; (R)-2-Fluoro-alpha-methyl(1,1'-biphenyl)-4-acetic acid; (2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid; (2R)-2-(3-fluoro-4-phenylphenyl)propanoic acid; CHEMBL190083; 501W00OOWA; CHEBI:38666; E-7869
Click to Show/Hide
|
||||
| Activity |
IC50 = 280000 nM
|
[12] | |||
| Compound Name |
DIHYDROKAEMPFEROL
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
aromadendrin; 480-20-6; (+)-Dihydrokaempferol; dihydrokaempferol; katuranin; (+)-aromadendrin; Aromadendrol; (2R,3R)-3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chroman-4-one; (+)-Aromadendrol; UNII-7YA4640575; (2R,3R)-3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one; CHEMBL9323; CHEBI:15401; PADQINQHPQKXNL-LSDHHAIUSA-N; 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, (2R,3R)-; 7YA4640575; Arbo 14; AC1L3VDW; AC1Q6KIF; (2R,3R)-dihydrokaempferol; MLS000697722
Click to Show/Hide
|
||||
| Activity |
IC50 > 500000 nM
|
[5] | |||
| Compound Name |
GALANGIN
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|
Investigative | Compound Info | ||
| Synonyms |
Galangin; 548-83-4; Norizalpinin; 3,5,7-Trihydroxyflavone; 3,5,7-Trihydroxy-2-phenyl-4H-chromen-4-one; 3,5,7-triOH-Flavone; UNII-142FWE6ECS; 3,5,7-Trihydroxy-2-phenyl-4-benzopyrone; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl-; EINECS 208-960-4; NSC407229; FLAVONE, 3,5,7-TRIHYDROXY-; NSC 407229; NSC-407229; 4H-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl-; BRN 0272179; 142FWE6ECS; 3,5,7-trihydroxy-2-phenylchromen-4-one; CHEBI:5262; CHEMBL309490; VCCRNZQBSJXYJD-UHFFFAOYSA-N; 3,5,7-trihydroxy-2-phenyl-4H-benzopyran-4-one
Click to Show/Hide
|
||||
| Activity |
IC50 > 500000 nM
|
[11] | |||
| Compound Name |
(1'S,3R,5'R,7'S,9'S)-5',7,7,10',10',13'-Hexamethylspiro[1H-pyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,14'-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3741300; BDBM50499722
Click to Show/Hide
|
||||
| Activity |
IC50 = 203700 nM
|
[6] | |||
| Compound Name |
2-(4-Benzo[1,3]dioxol-5-yl-3-fluoro-phenyl)-propionic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL196322; BDBM50172484
Click to Show/Hide
|
||||
| Activity |
IC50 = 210000 nM
|
[12] | |||
| Compound Name |
6-[2-[[6-[2-(Dipyridin-2-ylamino)ethyl]pyridin-2-yl]amino]ethyl]-N-methylpyridin-2-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3813916; SCHEMBL12705279; BDBM50501071
Click to Show/Hide
|
||||
| Activity |
IC50 = 240000 nM
|
[21] | |||
| Compound Name |
2,2-Dimethyl-2H-chromene-6-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Anofinic acid; 2H-1-Benzopyran-6-carboxylic acid, 2,2-dimethyl-; CHEMBL469159; C12H12O3; 2,2-dimethylchromene-6-carboxylic acid; 2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid; 6-Carboxy-2,2-dimethylchromen; SCHEMBL8066269; CTK1B7424; DTXSID10415747; 1-Hydroxy-3',3'-dimethylchromene; KS-00002B1T; 1084AE; BDBM50499720; MFCD06208181; ZINC15119467; AKOS016028545; MCULE-9642887474; SS-3624; 2,2-Dimethyl-6-chromenecarboxylic acid; 2,2-Dimethyl-2H-benzo[b]pyran-6-carboxylic Acid
Click to Show/Hide
|
||||
| Activity |
EC50 = 251500 nM
|
[6] | |||
| Compound Name |
Chembl4166279
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50276906
Click to Show/Hide
|
||||
| Activity |
EC50 = 274000 nM
|
[2] | |||
| Compound Name |
N-Methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]pyridin-2-yl]amino]ethyl]pyridin-2-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814563; SCHEMBL12710245; BDBM50501073
Click to Show/Hide
|
||||
| Activity |
IC50 = 280000 nM
|
[21] | |||
| Compound Name |
Brevione L
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3741111; BDBM50499716
Click to Show/Hide
|
||||
| Activity |
IC50 > 300000 nM
|
[6] | |||
| Compound Name |
29-N-Demethylparaherquamide J
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3741682; BDBM50499724
Click to Show/Hide
|
||||
| Activity |
EC50 > 300000 nM
|
[6] | |||
| Compound Name |
(1S,5R,7R,9S,11R)-2',2',5,10,10,13-Hexamethylspiro[3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-11,9'-7H-[1,4]dioxepino[2,3-f]indole]-4,8',14-trione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3741529; BDBM50499719
Click to Show/Hide
|
||||
| Activity |
EC50 > 300000 nM
|
[6] | |||
| Compound Name |
Paraherquamide K
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3742121; BDBM50499723
Click to Show/Hide
|
||||
| Activity |
IC50 > 300000 nM
|
[6] | |||
| Compound Name |
1-[3-Fluoro-4-[4-(4-hydroxyphenyl)phenyl]phenyl]cyclopropane-1-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL196947; BDBM50172459; 1-(2-Fluoro-4''''-hydroxy-[1,1'';4'',1'''']terphenyl-4-yl)-cyclopropanecarboxylic acid
Click to Show/Hide
|
||||
| Activity |
IC50 = 409000 nM
|
[12] | |||
| Compound Name |
3-[2,5-Bis(trifluoromethyl)phenyl]-N-[(1R,10S,13R)-13-[(5-chlorothiophen-2-yl)sulfonylamino]-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]propanamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3692697; SCHEMBL15046157; BDBM162705; US9056857, 19
Click to Show/Hide
|
||||
| Activity |
IC50 = 630000 nM
|
[17] | |||
| Compound Name |
N-[(1R,10S,13R)-13-[(5-Chlorothiophen-2-yl)sulfonylamino]-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]-2-[[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]amino]acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3692701; SCHEMBL15046172; BDBM162709; US9056857, 165
Click to Show/Hide
|
||||
| Activity |
IC50 = 800000 nM
|
[17] | |||
| Compound Name |
Phenethyl cinnamate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Phenylethyl cinnamate; Benzylcarbinyl cinnamate; 2-Phenylethyl cinnamate; CINNAMIC ACID, PHENETHYL ESTER; beta-Phenylethyl cinnamate; UNII-EY056ZZ9MG; NSC 16962; FEMA No. 2863; 2-Phenylethyl 3-phenylpropenoate; 2-phenylethyl 3-phenyl-2-propenoate; .beta.-Phenethyl cinnamate; .beta.-Phenylethyl cinnamate; EY056ZZ9MG; 2-phenylethyl (E)-3-phenylprop-2-enoate; CHEMBL493921; 2-Propenoic acid, 3-phenyl-, 2-phenylethyl ester; Cinnamic acid, phenylethyl ester; NSC-16962; Benzylcarbinyl 3-phenylpropenoate; beta-Phenethyl beta-phenylacrylate; trans-Phenethyl cinnamate; EINECS 203-120-3; AI3-01026; Phenethyl cnnamate; phenethyl (E)-3-phenylprop-2-enoate; PubChem8195; (E)-Phenethyl cinnamate; beta -phenethyl cinnamate; beta -phenylethyl cinnamate; Phenethyl cinnamate [FHFI]; WLN: R2OV1U1R; B-PHENYLETHYL CINNAMATE; Phenyl ethyl cinnamate [FCC]; beta-Phenethyl betaphenylacrylate; FEMA 2863; (E-)-Phenethyl 3-phenylacrylate; Phenethyl cinnamate, >=96%, FG; NSC16962; ZINC1747873; BDBM50362834; MFCD00022050; 2-Phenylethyl (E)-3-phenylpropenoate; 3-Phenylpropenoic acid phenethyl ester; AKOS003447097; BS-14203; 2-Phenylethyl (2E)-3-phenyl-2-propenoate; 2-phenylethyl (2E)-3-phenylprop-2-enoate; trans-3-phenyl-acrylic acid phenethyl ester; Z3713; 103P537; A800759; (E)-3-phenyl-2-propenoic acid 2-phenylethyl ester; J-523925; Q27277427; (E)-2-Propenoic acid, 3-phenyl-, 2-phenylethyl ester
Click to Show/Hide
|
||||
| Activity |
EC50 = 1040000 nM
|
[2] | |||
| Compound Name |
3-Phenylpropionic acid, 2-phenylethyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
phenethyl 3-phenylpropionate; CHEMBL4162421; 2-Phenylethyl 3-phenylpropanoate; 2-Phenethyl-.beta.-phenylpropionate; SCHEMBL9367557; 2-Phenylethyl 3-phenylpropanoate #; Benzenepropionic acid phenethyl ester; BDBM50276905; ZINC32152058; AKOS033754642; MCULE-3275507591; Q65224884; Z206293676
Click to Show/Hide
|
||||
| Activity |
EC50 = 4536000 nM
|
[2] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Diversification of edaravone via palladium-catalyzed hydrazine cross-coupling: Applications against protein misfolding and oligomerization of beta-amyloid. Bioorg Med Chem Lett. 2016 Jan 1;26(1):100-4. | ||||
| REF 2 | Structure-activity relations of rosmarinic acid derivatives for the amyloid aggregation inhibition and antioxidant properties. Eur J Med Chem. 2017 Sep 29;138:1066-1075. | ||||
| REF 3 | Hydroxy-substituted trans-cinnamoyl derivatives as multifunctional tools in the context of Alzheimer's disease. Eur J Med Chem. 2017 Oct 20;139:378-389. | ||||
| REF 4 | Progress and developments in tau aggregation inhibitors for Alzheimer disease. J Med Chem. 2013 Jun 13;56(11):4135-55. | ||||
| REF 5 | Combined in Vitro Cell-Based/in Silico Screening of Naturally Occurring Flavonoids and Phenolic Compounds as Potential Anti-Alzheimer Drugs. J Nat Prod. 2017 Feb 24;80(2):278-289. | ||||
| REF 6 | Spiroindole Alkaloids and Spiroditerpenoids from Aspergillus duricaulis and Their Potential Neuroprotective Effects. J Nat Prod. 2015 Nov 25;78(11):2572-9. | ||||
| REF 7 | Protective effects of caffeoylquinic acids on the aggregation and neurotoxicity of the 42-residue amyloid beta-protein. Bioorg Med Chem. 2012 Oct 1;20(19):5844-9. | ||||
| REF 8 | Quinazolin-4-one derivatives as selective histone deacetylase-6 inhibitors for the treatment of Alzheimer's disease. J Med Chem. 2013 Sep 12;56(17):6775-91. | ||||
| REF 9 | Molecular-modeling based design, synthesis, and activity of substituted piperidines as gamma-secretase inhibitors. Bioorg Med Chem Lett. 2005 Apr 1;15(7):1891-4. | ||||
| REF 10 | Multifunctional cholinesterase and amyloid Beta fibrillization modulators. Synthesis and biological investigation. ACS Med Chem Lett. 2013 Oct 6;4(12):1178-82. | ||||
| REF 11 | Structural insights into mechanisms for inhibiting amyloid 42 aggregation by non-catechol-type flavonoids. Bioorg Med Chem. 2016 Jan 15;24(2):304-13. | ||||
| REF 12 | Synthesis and biological activity of flurbiprofen analogues as selective inhibitors of beta-amyloid(1)(-)(42) secretion. J Med Chem. 2005 Sep 8;48(18):5705-20. | ||||
| REF 13 | Design of -amyloid aggregation inhibitors from a predicted structural motif. J Med Chem. 2012 Apr 12;55(7):3002-10. | ||||
| REF 14 | Neuritogenic activity of bi-functional bis-tryptoline triazole. Bioorg Med Chem. 2017 Feb 1;25(3):1195-1201. | ||||
| REF 15 | Nodulisporiviridins A-H, Bioactive Viridins from Nodulisporium sp. J Nat Prod. 2015 Jun 26;78(6):1221-30. | ||||
| REF 16 | Structure-activity relationship of clovamide and its related compounds for the inhibition of amyloid aggregation. Bioorg Med Chem. 2018 Jul 23;26(12):3202-3209. | ||||
| REF 17 | US patent application no. 9056857B2, Methods for treating or preventing cancer and neurodegenerative diseases | ||||
| REF 18 | Regioselective synthesis of 7-O-esters of the flavonolignan silibinin and SARs lead to compounds with overadditive neuroprotective effects. Eur J Med Chem. 2018 Feb 25;146:93-107. | ||||
| REF 19 | Syntheses of coumarin-tacrine hybrids as dual-site acetylcholinesterase inhibitors and their activity against butylcholinesterase, A aggregation, and -secretase. Bioorg Med Chem. 2014 Sep 1;22(17):4784-91. | ||||
| REF 20 | Novel sarsasapogenin-triazolyl hybrids as potential anti-Alzheimer's agents: Design, synthesis and biological evaluation. Eur J Med Chem. 2018 May 10;151:351-362. | ||||
| REF 21 | Synthesis and structure-activity relationship of 2,6-disubstituted pyridine derivatives as inhibitors of -amyloid-42 aggregation. Bioorg Med Chem Lett. 2016 Jul 15;26(14):3330-3335. | ||||
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