Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T19011 | Target Info | |||
| Target Name | M-phase inducer phosphatase 3 (MPIP3) | ||||
| Synonyms |
Dual specificity phosphatase Cdc25C; Cdc25C phosphatase
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|
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| Target Type | Literature-reported Target | ||||
| Gene Name | CDC25C | ||||
| Biochemical Class | Phosphoric monoester hydrolase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 44 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(2R,3R)-2,3-Dibromo-3-methyl-1,1-dioxo-2H-thiochromen-4-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1765352; BDBM50341996; (2R,3R)-2,3-Dibromo-3-methyl-1,1-dioxo-1lambda*6*-thiochroman-4-one
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|
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| Activity |
IC50 = 50000 nM
|
[1] | |||
| Compound Name |
4-(2-Carboxyethyl)-3-decylfuran-2,5-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL228358; SCHEMBL3170708; BDBM50197851; 2-(2-carboxyethyl)-3-decyl maleic anhydride; 3-(4-decyl-2,5-dioxofuran-3-yl)propanoic acid; (Z)-3-Tetradecene-1,3,4-tricarboxylic 3,4-anhydride; 3-(4-decyl-2,5-dioxo-2,5-dihydrofuran-3-yl)propanoicacid
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|
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| Activity |
IC50 = 53900 nM
|
[2] | |||
| Compound Name |
3-Hydroxy-2-(hydroxymethyl)-4-[N-[(4-methylphenyl)methyl]-C-pentadecylcarbonimidoyl]-2H-furan-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2062597; BDBM50388809
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|
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| Activity |
IC50 = 56700 nM
|
[3] | |||
| Compound Name |
2-(4-(7-(4-Methoxybenzoyl)cyclopenta[d][1,2]oxazin-4-yl)phenoxy)acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL201662; BDBM50177317
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|
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| Activity |
IC50 = 61700 nM
|
[4] | |||
| Compound Name |
4-(3-(3,4-Diethylphenyl)buta-1,3-dienyl)-7-ethyl-2-methylene-1,2-dihydronaphthalene
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1258414; BDBM50327447
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|
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| Activity |
IC50 = 67000 nM
|
[5] | |||
| Compound Name |
2-(4-Ethoxyphenyl)-4-(naphthalen-2-yl)-1,3-thiazole
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3219406; ZINC3330119; AKOS034401691; MCULE-4233281928; Z48863660
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|
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| Activity |
IC50 = 71500 nM
|
[6] | |||
| Compound Name |
4-(3-(3,4-Dihydroxyphenyl)-3-oxoprop-1-enyl)-7-hydroxy-2H-chromen-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1258522; BDBM50327450
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|
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| Activity |
IC50 = 72000 nM
|
[5] | |||
| Compound Name |
4-[N-[(3-Fluorophenyl)methyl]-C-pentadecylcarbonimidoyl]-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2062593; BDBM50388823
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|
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| Activity |
IC50 = 78200 nM
|
[3] | |||
| Compound Name |
Dimethyl-[4-({methyl-[2-(4-nitro-phenyl)-ethyl]-amino}-methyl)-phenyl]-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL185815; BDBM50155589
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|
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| Activity |
IC50 ~ 80000 nM
|
[7] | |||
| Compound Name |
2-({Methyl-[2-(4-nitro-phenyl)-ethyl]-amino}-methyl)-4-nitro-phenol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL363263; BDBM50155592
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|
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| Activity |
IC50 ~ 80000 nM
|
[7] | |||
| Compound Name |
[3-Methoxy-4-({methyl-[2-(4-nitro-phenyl)-ethyl]-amino}-methyl)-phenyl]-dimethyl-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL359780; BDBM50155602
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|
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| Activity |
IC50 ~ 80000 nM
|
[7] | |||
| Compound Name |
(2,5-Dimethoxy-benzyl)-methyl-[2-(4-nitro-phenyl)-ethyl]-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL362339; BDBM50155601
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|
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| Activity |
IC50 ~ 80000 nM
|
[7] | |||
| Compound Name |
Methylbenzyl(4-nitrophenethyl)amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL187698; N-benzyl-N-methyl-2-(4-nitrophenyl)ethanamine; SCHEMBL7596877; BDBM50155588; Benzyl-methyl-[2-(4-nitro-phenyl)-ethyl]-amine; N-benzyl-N-methyl[2-(4-nitrophenyl)ethyl]amine
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|
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| Activity |
IC50 ~ 80000 nM
|
[7] | |||
| Compound Name |
2-Methoxy-6-({methyl-[2-(4-nitro-phenyl)-ethyl]-amino}-methyl)-phenol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL186560; BDBM50155593
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|
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| Activity |
IC50 ~ 80000 nM
|
[7] | |||
| Compound Name |
2-({Methyl-[2-(4-nitro-phenyl)-ethyl]-amino}-methyl)-phenol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL186088; BDBM50155600; 2-[[methyl-[2-(4-nitrophenyl)ethyl]amino]methyl]phenol
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|
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| Activity |
IC50 ~ 80000 nM
|
[7] | |||
| Compound Name |
(3-Methoxy-benzyl)-methyl-[2-(4-nitro-phenyl)-ethyl]-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL360842; BDBM50155598
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|
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| Activity |
IC50 ~ 80000 nM
|
[7] | |||
| Compound Name |
Dimethyl-[3-({methyl-[2-(4-nitro-phenyl)-ethyl]-amino}-methyl)-phenyl]-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL187753; BDBM50155596
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|
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| Activity |
IC50 ~ 80000 nM
|
[7] | |||
| Compound Name |
(2,3-Dimethoxy-benzyl)-methyl-[2-(4-nitro-phenyl)-ethyl]-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL185838; BDBM50155590
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|
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| Activity |
IC50 ~ 80000 nM
|
[7] | |||
| Compound Name |
N-[3-(2-Phenyl-1,3-thiazol-4-yl)phenyl]-2-furamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3219177; ZINC387105; MCULE-9414355543; AQ-432/42868839; N-[3-(2-Phenylthiazole-4-yl)phenyl]-2-furancarboxamide
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|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
3-Hydroxy-2-(hydroxymethyl)-4-[N-[(2-hydroxyphenyl)methyl]-C-pentadecylcarbonimidoyl]-2H-furan-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2062712; RE-44; BDBM50388818
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
4-(N-Benzyl-C-pentadecylcarbonimidoyl)-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
RE-1; CHEMBL2062590; BDBM50388807
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
4-Undecyl-2,5-dihydro-2,5-dioxofuran-3-propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL376172; BDBM50197849; 3-(4-undecyl-2,5-dioxo-2,5-dihydrofuran-3-yl)propanoicacid
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
4-[N-[(3-Chlorophenyl)methyl]-C-pentadecylcarbonimidoyl]-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2062592; BDBM50388822
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
4-[N-[[2-(Dimethylamino)phenyl]methyl]-C-pentadecylcarbonimidoyl]-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2062714; BDBM50388820
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
3-Hydroxy-2-(hydroxymethyl)-4-[N-[(3-methylphenyl)methyl]-C-pentadecylcarbonimidoyl]-2H-furan-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2062591; CHEMBL3260030; RE-12; BDBM50012280; BDBM50388821
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
3-(4-Nonyl-2,5-dioxo-2,5-dihydrofuran-3-yl)propanoicacid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL375036; BDBM50197857
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
3-Hydroxy-2-(hydroxymethyl)-4-[N-[(4-methoxyphenyl)methyl]-C-pentadecylcarbonimidoyl]-2H-furan-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2062708; BDBM50388813
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
3-[1-(2-Methylbenzylamino)hexadecane-1-ylidene]-5-(hydroxymethyl)tetrahydrofuran-2,4-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2062528; BDBM50388815
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
4-{2,5-Dimethyl-1-[(oxolan-2-yl)methyl]-1H-pyrrol-3-yl}-2-(4-methoxyphenyl)-1,3-thiazole
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3219192; AKOS034401404; MCULE-8066170180; Z48856035
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|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
4-[N-[(2-Chlorophenyl)methyl]-C-pentadecylcarbonimidoyl]-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2062710; BDBM50388816
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
4-[N-[(4-Chlorophenyl)methyl]-C-pentadecylcarbonimidoyl]-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2062598; BDBM50388810
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
3-Hydroxy-2-(hydroxymethyl)-4-[N-[(3-methoxyphenyl)methyl]-C-pentadecylcarbonimidoyl]-2H-furan-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2062595; BDBM50388825
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
4-[N-[[4-(Dimethylamino)phenyl]methyl]-C-pentadecylcarbonimidoyl]-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2062709; BDBM50388814
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
5-[2-(4-Ethoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydro-1H-indol-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3219193; ZINC8297210; AKOS001178081; MCULE-4130039536; AB00774042-01; Z118590134
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|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
5-[2-(p-Anisyl)thiazole-4-yl]-2-pyrimidineamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3219183
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|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
2,5-Dioxo-4-octylfuran-3-propanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL228357; BDBM50197850; 3-(4-octyl-2,5-dioxo-2,5-dihydrofuran-3-yl)propanoicacid
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
2,5-Dioxo-4-hexylfuran-3-propanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL228356; BDBM50197853; 3-(4-hexyl-2,5-dioxo-2,5-dihydrofuran-3-yl)propanoicacid
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
3-(3-Stibonophenyl)Propanoic Acid
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|
Investigative | Compound Info | ||
| Synonyms |
P6949; GTPL8877; CHEMBL2057662; BDBM50388723; NSC732942; NSC-732942; Q27088235; 3-(2-carboxy-ethyl)-stibonic acid 3-(3-stibono-phenyl)-propionic acid
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|
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
4-[N-[(4-Fluorophenyl)methyl]-C-pentadecylcarbonimidoyl]-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2062599; BDBM50388811
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
3-Hydroxy-2-(hydroxymethyl)-4-[N-[(2-methoxyphenyl)methyl]-C-pentadecylcarbonimidoyl]-2H-furan-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2062713; BDBM50388819
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
3-Hydroxy-2-(hydroxymethyl)-4-[N-[(3-hydroxyphenyl)methyl]-C-pentadecylcarbonimidoyl]-2H-furan-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2062594; BDBM50388824
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
4-[N-[[3-(Dimethylamino)phenyl]methyl]-C-pentadecylcarbonimidoyl]-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2062596; BDBM50388808
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
7-Hydroxy-4-(3-(4-hydroxyphenyl)-3-oxoprop-1-enyl)-2H-chromen-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1258521; BDBM50327449
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|
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| Activity |
IC50 ~ 150000 nM
|
[5] | |||
| Compound Name |
2-{4-[2-(S)-Allyloxycarbonylamino-3-{4-[(2-carboxy-phenyl)-oxalyl-amino]-phenyl}-propionylamino]-butoxy}-6-hydroxy-benzoic acid methyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL325029; OIC ACID METHYL ESTER; SCHEMBL6500588; BDBM50131545; DB04088; Q27454316
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|
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| Activity |
Ki = 178000 nM
|
[9] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 3 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Oxalylarylaminobenzoic Acid Analog 12a
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL303333; BDBM13953; linked-fragment derived compound 12; 2-({4-[2-acetamido-2-(pentylcarbamoyl)ethyl]naphthalen-1-yl}amidoformic acid)benzoic acid; 2-{[4-(2-Acetylamino-2-pentylcarbamoylethyl)naphthalen-1-yl]oxalylamino}benzoic Acid; n-acetyl-4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-n-pentyl-1-naphthylalaninamide
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|
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| Activity |
Ki > 300000 nM
|
[10] | |||
| Compound Name |
Oxalyl-aryl-amino benzoic acid-based inhibitor 19
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL55243; SCHEMBL6495467; BDBM15819
Click to Show/Hide
|
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| Activity |
Ki > 300000 nM
|
[11] | |||
| Compound Name |
(S)-5-Hydroxy-4-{(R)-1-hydroxy-2-[(1S,2S,5S,8aR)-1,2,5,8a-tetramethyl-5-(4-methyl-pent-4-enyl)-1,2,3,5,6,7,8,8a-octahydro-naphthalen-1-yl]-ethyl}-5H-furan-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL87951; BDBM50080993
Click to Show/Hide
|
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| Activity |
IC50 > 2000000 nM
|
[12] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Using small molecules to target protein phosphatases. Bioorg Med Chem. 2011 Apr 1;19(7):2145-55. | ||||
| REF 2 | Synthesis and biological evaluation of dialkylsubstituted maleic anhydrides as novel inhibitors of Cdc25 dual specificity phosphatases. Eur J Med Chem. 2007 Feb;42(2):243-7. | ||||
| REF 3 | Dual-Specificity Phosphatase CDC25A/B Inhibitor Identified from a Focused Library with Nonelectrophilic Core Structure. ACS Med Chem Lett. 2012 Apr 12;3(4):294-298. | ||||
| REF 4 | PTP-1B inhibitors: cyclopenta[d][1,2]-oxazine derivatives. Bioorg Med Chem Lett. 2006 Feb;16(3):499-502. | ||||
| REF 5 | Synthesis and biological evaluation of novel coumarin-based inhibitors of Cdc25 phosphatases. Bioorg Med Chem Lett. 2010 Oct 1;20(19):5827-30. | ||||
| REF 6 | Prospective use of molecular field points in ligand-based virtual screening: efficient identification of new reversible Cdc25 inhibitors. Medchemcomm. 2013;4:1148-55. | ||||
| REF 7 | Synthesis of small molecule CDC25 phosphatases inhibitors. Bioorg Med Chem Lett. 2004 Dec 6;14(23):5809-12. | ||||
| REF 8 | Arylstibonic acids are potent and isoform-selective inhibitors of Cdc25a and Cdc25b phosphatases. Bioorg Med Chem. 2012 Jul 15;20(14):4371-6. | ||||
| REF 9 | Selective protein tyrosine phosphatase 1B inhibitors: targeting the second phosphotyrosine binding site with non-carboxylic acid-containing ligands. J Med Chem. 2003 Jul 31;46(16):3437-40. | ||||
| REF 10 | Discovery and structure-activity relationship of oxalylarylaminobenzoic acids as inhibitors of protein tyrosine phosphatase 1B. J Med Chem. 2003 May 22;46(11):2093-103. | ||||
| REF 11 | Potent, selective inhibitors of protein tyrosine phosphatase 1B. Bioorg Med Chem Lett. 2003 Jun 2;13(11):1887-90. | ||||
| REF 12 | Dysidiolide and related gamma-hydroxy butenolide compounds as inhibitors of the protein tyrosine phosphatase, CDC25. Bioorg Med Chem Lett. 1999 Sep 6;9(17):2537-8. | ||||
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