Target Poor or Non Binder(s) Information
Target General Information | Top | ||||
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Target ID | T59929 | Target Info | |||
Target Name | Thymidine phosphorylase (TYMP) | ||||
Synonyms |
TdRPase; TYMP; TP; Platelet-derived endothelial cell growth factor; PDECGF; PD-ECGF; Gliostatin
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Target Type | Successful Target | ||||
Gene Name | TYMP | ||||
Biochemical Class | Pentosyltransferase | ||||
UniProt ID |
Poor Binders of This Target (in total, 34 binders) | Download | Top | |||
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Compound Name |
[8-[(4-Methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-6H-pyrazolo[1,5-a][1,3,5]triazin-7-yl]thiourea
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3233335; BDBM50004476
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Activity |
IC50 = 51404.37 nM
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[1] | |||
Compound Name |
[8-[(4-Cyanophenyl)methyl]-4-oxo-2-sulfanylidene-6H-pyrazolo[1,5-a][1,3,5]triazin-7-yl]thiourea
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3233337; BDBM50004454
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Activity |
IC50 = 51522.86 nM
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[1] | |||
Compound Name |
Chembl4277363
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Investigative | Compound Info | ||
Synonyms |
BDBM50464661
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Activity |
IC50 = 53700 nM
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[2] | |||
Compound Name |
7-Tert-butyl-2-sulfanylidene-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2402382; BDBM50004465
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Activity |
IC50 = 55700 nM
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[1] | |||
Compound Name |
3-[(2-Methylphenyl)methyl]isochromen-1-one
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3885270; BDBM50208910
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Activity |
IC50 = 61000 nM
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[3] | |||
Compound Name |
7-(3-Benzylguanidino)-1,2,3,4-tetrahydrothieno[3,2-d]pyrimidine-2,4-dione
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Investigative | Compound Info | ||
Synonyms |
CHEMBL1159742
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Activity |
Ki = 64300 nM
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[4] | |||
Compound Name |
4-[(7-Oxo-5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl)methyl]benzonitrile
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2418060; BDBM50439108
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Activity |
IC50 = 64330 nM
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[5] | |||
Compound Name |
3-[[2-[(2S,3R,4R,5S,6R)-6-(Benzoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyphenyl]methoxy]-2-hydroxybenzoic acid
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3883582; BDBM50208909
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Activity |
IC50 = 65450 nM
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[3] | |||
Compound Name |
5'-O-Tritylinosine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL386148; 5''-O-tritylinosine; KIN-59; SCHEMBL18044398; BDBM50194172; ZINC14555454; 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-3H-purin-6-one; AC-32250; 5 inverted exclamation mark -O-Tritylinosine
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Activity |
IC50 = 67000 nM
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[6] | |||
Compound Name |
6-(4-Phenylbutylamino)uracil
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Investigative | Compound Info | ||
Synonyms |
CHEMBL88536; NSC212282; DTXSID50309555; ZINC1750593; BDBM50089889; NSC-212282; 6-(4-Phenyl-butylamino)-1H-pyrimidine-2,4-dione
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Activity |
IC50 = 74000 nM
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[7] | |||
Compound Name |
5-Amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-N-(2-methoxyethoxymethyl)imidazole-4-carboxamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL211114; BDBM50194187; 5-amino-1-(5-O-trityl-beta-D-ribofuranosyl)imidazole-4-[N-(2-methoxyethoxy)methyl]carboxamide
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Activity |
IC50 ~ 75000 nM
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[8] | |||
Compound Name |
Acetic acid;2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-7-yl)guanidine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL12488
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Activity |
Ki = 76000 nM
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[4] | |||
Compound Name |
[(E)-(1-Methyl-2,5-dioxo-4-pentylimidazolidin-4-yl)methylideneamino]urea
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Investigative | Compound Info | ||
Synonyms |
CHEMBL124225; NSC65043; DTXSID20430143; BDBM50134398; NSC-65043; 1-methyl-2,5-dioxo-4-pentylimidazolidine-4-carbaldehyde semicarbazone
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Activity |
IC50 = 77000 nM
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[9] | |||
Compound Name |
6-[(3-Phenylpropyl)amino]uracil
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Investigative | Compound Info | ||
Synonyms |
CHEMBL327817; NSC212267; CTK1E9174; DTXSID40943841; ZINC1750556; BDBM50089888; NSC-212267; 6-[(3-Phenylpropyl)amino]pyrimidine-2,4-diol; 6-(3-Phenyl-propylamino)-1H-pyrimidine-2,4-dione; 2,4(1H,3H)-Pyrimidinedione, 6-(phenylpropylamino)-
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Activity |
IC50 = 82000 nM
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[7] | |||
Compound Name |
Chembl4292894
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Investigative | Compound Info | ||
Synonyms |
BDBM50464642
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Activity |
IC50 = 85600 nM
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[2] | |||
Compound Name |
Chembl4287578
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Investigative | Compound Info | ||
Synonyms |
BDBM50464662; 1-Benzoyl-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
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Activity |
IC50 = 92400 nM
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[2] | |||
Compound Name |
N-Allyl-N'-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]thiourea
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Investigative | Compound Info | ||
Synonyms |
NSC659977; CHEMBL334141; N-Allyl-N'-((2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl)thiourea; MLS000697998; HMS2599L05; BDBM50134396; MCULE-3207778938; NSC-659977; SMR000230284; AQ-911/41958896; 1-Allyl-3-(2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-thiourea; 1-allyl-3-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]thiourea
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Activity |
IC50 = 94800 nM
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[9] | |||
Compound Name |
5''-O-Trityl-2''deoxyinosine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL209655; BDBM50194188
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Activity |
IC50 = 96000 nM
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[8] | |||
Compound Name |
2-Phenyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2418080; BDBM50439137
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Activity |
IC50 ~ 100000 nM
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[5] | |||
Compound Name |
1-[(2-Methoxyethoxy)methyl]-5''-O-tritylinosine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL378644; BDBM50194171
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Activity |
IC50 ~ 100000 nM
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[8] | |||
Compound Name |
5-[(1,3-Dihydroxypropan-2-ylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3087491; SCHEMBL16561915; BDBM50443013
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Activity |
IC50 ~ 100000 nM
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[10] | |||
Compound Name |
2,6-Dihydroxy-4-methyl-3-pyridinecarbonitrile
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Investigative | Compound Info | ||
Synonyms |
2,6-Dihydroxy-4-methylnicotinonitrile; 3-Cyano-2,6-dihydroxy-4-methylpyridine; 6-Hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile; 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-2-oxo-; 2,6-dihydroxy-4-methylpyridine-3-carbonitrile; 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile; 1,2-Dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile; 2,6-Dihydroxy-3-cyano-4-methylpyridine; CHEMBL3086510; 6-Hydroxy-4-methyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile; MFCD00023471; 3-CYANO-6-HYDROXY-4-METHYL-2-PYRIDONE; NSC19883; EINECS 226-639-7; NSC 19883; 2,6-Dihydroxy-4-methyl nicotinonitrile; PubChem15378; ACMC-1AMRB; KSC496O3D; SCHEMBL1222275; DTXSID2063890; CTK3J6731; CTK8E2418; RSCBB000778; HMS1783B09; HMS3741M13; ACT07672; BCP26881; ZINC9122083; 3-Cyano-2,6-dihydroxy-4-picoline; 3-cyano-4-methyl-6-hydroxypyridone; 4-Methyl-3-cyan-2,6-dioxypyridin; 3-Cyano-4-methyl-2,6-pyridinediol; ANW-45417; BBL027991; BDBM50443010; NSC-19883; SBB017468; STL377949; STL558375; AKOS000268878; AKOS000445810; AKOS002254697; AC-8289; CCG-274493; MCULE-9658660165; PB28990; 2-hydroxy-5-cyano-4-methylpyrid-6-one; 3-cyano-4-methyl-6-hydroxypyrid-2-one; 6-hydroxy-5-cyano-4-methyl-2-pyridone; KS-0000019O; 3-Cyano-6-hydroxy-4-methylpyrid-2-one; BR-39629; SC-25577; ST078464; SY015989; Nicotinonitrile, 2,6-dihydroxy-4-methyl-; AB0003175; AB0090413; DB-020213; 3-cyano-6-hydroxy-4-methyl-2(1h)-pyridone; AM20061305; FT-0610663; VU0607315-1; A15641; C-4012; L-2827; 2,6-Di hydroxyl-4-methyl-3 pyridinecarbonitrile; 2,6-dihydroxy-4-methyl-pyridine-3-carbonitrile; AB00683647-01; 4T-0009; Pyridine-3-carbonitrile, 2,6-dihydroxy-4-methyl-; W-110041; 2,6-Dihydroxy-4-methyl-3-pyridinecarbonitrile, 99%; Z57001599; F1920-0008; F3250-0685; 3-Pyridinecarbonitrile,2-dihydro-6-hydroxy-4-methyl-2-oxo-; 2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile
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Activity |
IC50 ~ 100000 nM
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[10] | |||
Compound Name |
5-[(Dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3087493; SCHEMBL16561918; BDBM50443011
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Activity |
IC50 ~ 100000 nM
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[10] | |||
Compound Name |
5-[(2,3-Dihydroxypropylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3087492; SCHEMBL16561916; BDBM50443012
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Activity |
IC50 ~ 100000 nM
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[10] | |||
Compound Name |
2,6-Dihydroxy-3-cyanopyridine
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Investigative | Compound Info | ||
Synonyms |
2,6-dihydroxynicotinonitrile; 3-Cyano-2,6-dihydroxypyridine; 2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile; 1,2-dihydro-6-hydroxy-2-oxo-3-Pyridinecarbonitrile; CHEMBL3086508; 6-hydroxy-2-oxo-1,2-dihydropyridine-3-carbonitrile; 2,6-Cndp; NSC329880; NSC 329880; SCHEMBL1048225; SCHEMBL9614840; CTK4H4529; KS-00000IBR; 3-cyano-6-hydroxy-pyridin-2-ol; DTXSID90188927; QC-49; BCP34567; ANW-44756; BDBM50443015; MFCD11113421; MFCD11558977; ZINC17126501; 3-cyano-6-hydroxy-2(1h)-pyridinone; AKOS006338491; Methyl 2,6-Dihydroxy-3-cyanopyridine; CS-W005677; NSC-329880; AK-40894; AS-59743; SY047890; AB0038803; 2,6-DIHYDROXYPYRIDINE-3-CARBONITRILE; FT-0737473; Y6194; A18682; 2-hydroxy-6-oxo-1,6-dihydropyridine-3-carbonitrile; Q-101510; 3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-2-oxo-; 2,6-Dihydroxy-3-cyanopyridine;3-Cyano-2,6-dihydroxypyridine
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Activity |
IC50 ~ 100000 nM
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[10] | |||
Compound Name |
6-Hydroxy-5-[(2-hydroxyethylamino)methyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3086521; SCHEMBL16561913; BDBM50443014
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Activity |
IC50 ~ 100000 nM
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[10] | |||
Compound Name |
2-Benzyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2418081; BDBM50439136
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Activity |
IC50 ~ 100000 nM
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[5] | |||
Compound Name |
5-Chloro-6-(2-nitro-imidazol-1-ylmethyl)-1H-pyrimidine-2,4-dione
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Investigative | Compound Info | ||
Synonyms |
CHEMBL65255; BDBM50122767
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Activity |
IC50 = 115000 nM
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[11] | |||
Compound Name |
5-Amino-1-(5-O-trityl-beta-D-ribofuranosyl)imidazole-4-(N-methyl)carboxamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL213018; BDBM50194169
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Activity |
IC50 = 137000 nM
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[8] | |||
Compound Name |
4-Amino-1-(2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-ylmethyl)-3H-imidazol-1-ium
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Investigative | Compound Info | ||
Synonyms |
CHEMBL370275; BDBM50159221
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Activity |
IC50 = 143000 nM
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[11] | |||
Compound Name |
2,4(1H,3H)-Pyrimidinedione, 6-[(2-phenylethyl)amino]-
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Investigative | Compound Info | ||
Synonyms |
CHEMBL314575; NSC210508; 6-(Phenethylamino)uracil; 6-(phenylethylamino)uracil; DTXSID20308974; ZINC1746063; BDBM50089887; AKOS026714220; NSC-210508; 6-Phenethylamino-1H-pyrimidine-2,4-dione; 6-(phenethylamino)pyrimidine-2,4(1H,3H)-dione; 6-(2-phenylethylamino)-1H-pyrimidine-2,4-dione; F1967-3308
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Activity |
IC50 = 148000 nM
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[7] | |||
Compound Name |
5-Bromo-6-[(2'-nitroimidazol-1'-yl)methyl]uracil
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Investigative | Compound Info | ||
Synonyms |
CHEMBL63979; BDBM50122766; 5-Bromo-6-(2-nitro-imidazol-1-ylmethyl)-1H-pyrimidine-2,4-dione
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Activity |
IC50 = 160000 nM
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[11] | |||
Compound Name |
5-Bromo-6-(4-nitro-imidazol-1-ylmethyl)-1H-pyrimidine-2,4-dione
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Investigative | Compound Info | ||
Synonyms |
CHEMBL191863; BDBM50159222
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Activity |
IC50 = 181000 nM
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[11] | |||
Compound Name |
5-Chloro-6-[(4'-nitroimidazol-1'-yl)methyl]uracil
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Investigative | Compound Info | ||
Synonyms |
CHEMBL195864; BDBM50159219; 5-Chloro-6-(4-nitro-imidazol-1-ylmethyl)-1H-pyrimidine-2,4-dione
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Activity |
IC50 = 200000 nM
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[11] | |||
Click to Show/Hide the Information of All Poor Binders |
Non Binders of This Target (in total, 10 non binders) | Download | Top | |||
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Compound Name |
6-Benzylamino-1H-pyrimidine-2,4-dione
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Investigative | Compound Info | ||
Synonyms |
CHEMBL86482; 6-(Benzylamino)uracil; 6-(benzylamino)pyrimidine-2,4(1H,3H)-dione; 5759-80-8; 6-benzylaminouracil; NSC210509; 6-Benzylamino-1H-pyrimidine-2,4-dione; 6-(benzylamino)-1H-pyrimidine-2,4-dione; AC1L7DCT; ChemDiv2_000645; Oprea1_763542; Oprea1_040277; MLS001143323; SCHEMBL7563397; DTXSID80308975; MolPort-002-324-866; ZINC169533; HMS2799M09; HMS1370N07; STK385017; BDBM50022154; AKOS000627145; MCULE-8157405299; NSC-210509; CCG-107711; SMR000473158; ST50859108; EU-0040004; 6-(benzylamino)-2,4(1H,3H)-pyrimidinedione
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Activity |
IC50 > 200000 nM
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[7] | |||
Compound Name |
5''-O-Trityl-2'',3''-secoinosine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL386743; BDBM50194183
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Activity |
IC50 > 200000 nM
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[8] | |||
Compound Name |
1-Benzyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]purin-6-one
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Investigative | Compound Info | ||
Synonyms |
CHEMBL379953; 1-benzyl-5''-O-benzylinosine; BDBM50194182
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Activity |
IC50 > 200000 nM
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[8] | |||
Compound Name |
[(2S,3R,4R,5R,6R)-2-[2-(Benzoyloxymethyl)-4-hydroxyphenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 4-hydroxybenzoate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3884656; BDBM50208908
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Activity |
IC50 = 225670 nM
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[3] | |||
Compound Name |
2,4(1H,3H)-Pyrimidinedione, 6-[(2-nitro-1H-imidazol-1-yl)methyl]-
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Investigative | Compound Info | ||
Synonyms |
CHEMBL62331; ACMC-20mrz2; CTK0F6645; DTXSID10449724; BDBM50122765; 6-(2-Nitro-imidazol-1-ylmethyl)-1H-pyrimidine-2,4-dione
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Activity |
IC50 = 257700 nM
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[11] | |||
Compound Name |
6-Amino-1H-thieno[3,2-d]pyrimidine-2,4-dione
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Investigative | Compound Info | ||
Synonyms |
CHEMBL12849; BDBM50121757; 6-Amino-1,2,3,4-tetrahydrothieno[3,2-d]pyrimidine-2,4-dione
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Activity |
Ki > 300000 nM
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[4] | |||
Compound Name |
6-(4-Nitro-imidazol-1-ylmethyl)-1H-pyrimidine-2,4-dione
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Investigative | Compound Info | ||
Synonyms |
CHEMBL371804; BDBM50159218
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Activity |
IC50 = 500000 nM
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[11] | |||
Compound Name |
((2S,3Ar,4R,6R,6aS)-6-(hydroxymethyl)-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-hexahydrofuro[3,4-b]furan-2-yl)methylphosphonic acid
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Investigative | Compound Info | ||
Synonyms |
CHEMBL386798; BDBM50201014
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Activity |
Ki > 500000 nM
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[12] | |||
Compound Name |
7-Amino-1H-thieno[3,2-d]pyrimidine-2,4-dione
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Investigative | Compound Info | ||
Synonyms |
CHEMBL276606; BDBM50121755; 7-Amino-1,2,3,4-tetrahydrothieno[3,2-d]pyrimidine-2,4-dione
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Activity |
Ki > 600000 nM
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[4] | |||
Compound Name |
Acetic acid;2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)guanidine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL274649
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Activity |
Ki > 2400000 nM
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[4] | |||
Click to Show/Hide the Information of All Non Binders |
References | Top | ||||
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REF 1 | Discovery of mixed type thymidine phosphorylase inhibitors endowed with antiangiogenic properties: synthesis, pharmacological evaluation and molecular docking study of 2-thioxo-pyrazolo[1,5-a][1,3,5]triazin-4-ones. Part II. Eur J Med Chem. 2014 May 6;78:294-303. | ||||
REF 2 | Synthesis and biological evaluation of novel 1-(aryl-aldehyde-oxime)uracil derivatives as a new class of thymidine phosphorylase inhibitors. Eur J Med Chem. 2018 Jan 20;144:41-51. | ||||
REF 3 | Recent discovery of non-nucleobase thymidine phosphorylase inhibitors targeting cancer. Eur J Med Chem. 2016 Nov 29;124:992-1003. | ||||
REF 4 | Design of novel N-(2,4-dioxo-1,2,3,4-tetrahydro-thieno[3,2-d]pyrimidin-7-yl)-guanidines as thymidine phosphorylase inhibitors, and flexible docking to a homology model. Bioorg Med Chem Lett. 2003 Jan 6;13(1):107-10. | ||||
REF 5 | A structure-activity relationship study of 1,2,4-triazolo[1,5-a][1,3,5]triazin-5,7-dione and its 5-thioxo analogues on anti-thymidine phosphorylase and associated anti-angiogenic activities. Eur J Med Chem. 2013 Sep;67:325-34. | ||||
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