Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T98397 | Target Info | |||
| Target Name | Thymidylate synthase (TYMS) | ||||
| Synonyms |
TSase; TS
Click to Show/Hide
|
||||
| Target Type | Clinical trial Target | ||||
| Gene Name | TYMS | ||||
| Biochemical Class | Methyltransferase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 72 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Pemetrexed
Click to Show/Hide
|
Approved | Compound Info | ||
| Synonyms |
Alimta; LYA; LY 231514; LY231514; Alimta (TN); LY 231,514; LY-2315; LY-231514; Pemetrexed (INN); Pemetrexed [INN:BAN]; LY-231,514; N-(4-(2-(2-Amino-3,4-dihydro-4-oxo-7H-pyrrolo(2,3-d)pyrimdin-5-yl)ethyl)benzoyl)glutamic acid; N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-d-glutamic acid; (2R)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid; (2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid; 2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid; 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID
Click to Show/Hide
|
||||
| Activity |
IC50 = 110000 nM
|
[1] | |||
| Compound Name |
Methotrexate
Click to Show/Hide
|
Approved | Compound Info | ||
| Synonyms |
methotrexate; 1959/5/2; Rheumatrex; Amethopterin; Metatrexan; Hdmtx; Abitrexate; Mexate; Methylaminopterinum; Methotrexatum; Antifolan; Metotrexato; Methylaminopterin; MTX; (S)-2-(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioic acid; Methotrexat; Amethopterine; Maxtrex; Rasuvo; L-Amethopterin; A-Methopterin; A-Methpterin; Amethopterin L-; Folex-Pfs; Methotrexat-Ebewe; N-Bismethylpteroylglutamic acid; Methotrexate, L-; Metotressato [DCIT]; Methotextrate; Mexate-Aq; [3H]methotrexate
Click to Show/Hide
|
||||
| Activity |
IC50 = 120000 nM
|
[2] | |||
| Compound Name |
3-Amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 = 127000 nM
|
[3] | |||
| Compound Name |
(2S)-5-Amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3407794; BDBM50070036
Click to Show/Hide
|
||||
| Activity |
IC50 = 50000 nM
|
[4] | |||
| Compound Name |
3-Amino-9-ethynylbenzo[f]quinazolin-1(2h)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL423859; SCHEMBL6450702; ZINC15436; 3-amino-9-ethynyl-4H-benzo[f]quinazolin-1-one; 3-amino-9-ethynyl benzo[f]quinazolin- 1(2H)-one; 3-amino-9-ethynyl benzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 50700 nM
|
[3] | |||
| Compound Name |
3-Amino-7-methyl-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL311149; SCHEMBL6649272; ZINC13832435; 3-amino-7-methyl-5,6-dihydro-4H-benzo[f]quinazolin-1-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 51000 nM
|
[3] | |||
| Compound Name |
2-[(3,4,5-Trimethoxy-phenyl)amino]-3-phenyl-5,7-diamino-quinoxaline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL464504; NSC720934; BDBM50251158; NSC-720934; NCI60_041430; 2-[3,5-(trimethoxy)anilino]-3-phenyl-5,7-diammino quinoxaline
Click to Show/Hide
|
||||
| Activity |
Ki = 51000 nM
|
[5] | |||
| Compound Name |
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-5-Amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3407790; BDBM50070032
Click to Show/Hide
|
||||
| Activity |
IC50 = 52000 nM
|
[4] | |||
| Compound Name |
Benzo[f]quinazolin-1(2H)-one, 3-amino-8-chloro-5,6-dihydro-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL76456; SCHEMBL4741754; SCHEMBL14148437; 3-amino-8-chloro-5,6-dihydro-4H-benzo[f]quinazolin-1-one; 3-Amino-8-chloro-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 52500 nM
|
[3] | |||
| Compound Name |
Benzo[f]quinazolin-1(2H)-one, 3-amino-5,6-dihydro-7-iodo-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL76272; SCHEMBL6651743; 3-amino-7-iodo-5,6-dihydro-4H-benzo[f]quinazolin-1-one; 3-Amino-7-iodo-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 54900 nM
|
[3] | |||
| Compound Name |
8-Deazafolic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL161265; (4-(((2-amino-4-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl)amino)benzoyl)-L-glutamic acid; NSC 173522; BDBM50023900
Click to Show/Hide
|
||||
| Activity |
IC50 = 55000 nM
|
[6] | |||
| Compound Name |
2-{4-[(2-Amino-4-oxo-3,4-dihydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-4-sulfo-butyric acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL39175; BDBM50005863
Click to Show/Hide
|
||||
| Activity |
IC50 = 55000 nM
|
[7] | |||
| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3407791; BDBM50070033
Click to Show/Hide
|
||||
| Activity |
IC50 = 56000 nM
|
[4] | |||
| Compound Name |
(2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3125097; BDBM50070024
Click to Show/Hide
|
||||
| Activity |
IC50 = 57000 nM
|
[4] | |||
| Compound Name |
(4S)-4-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3407793; BDBM50070035
Click to Show/Hide
|
||||
| Activity |
IC50 = 57000 nM
|
[4] | |||
| Compound Name |
N-(2,4-Dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)-1,3-benzodioxole-5-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2323398; BDBM50426857
Click to Show/Hide
|
||||
| Activity |
Ki = 57200 nM
|
[8] | |||
| Compound Name |
[(2R,3S,5R)-3-Hydroxy-5-[5-(4-nitrophenyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3144092; BDBM50227388
Click to Show/Hide
|
||||
| Activity |
Ki = 58700 nM
|
[9] | |||
| Compound Name |
3-Amino-6-methyl-8-chloro-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL308862; SCHEMBL6649433; 3-amino-8-chloro-6-methyl-5,6-dihydro-4H-benzo[f]quinazolin-1-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 58900 nM
|
[3] | |||
| Compound Name |
Ethyl (3-oxo-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl) carbonate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3088235; ethyl (oxo[?]yl) carbonate; BDBM50443311
Click to Show/Hide
|
||||
| Activity |
Ki = 60000 nM
|
[10] | |||
| Compound Name |
2-Amino-5-phenylthio-6-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL141869; BDBM50054510; 2-Amino-6-methyl-5-phenylsulfanyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 60000 nM
|
[11] | |||
| Compound Name |
2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]acetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3407789; BDBM50070027
Click to Show/Hide
|
||||
| Activity |
Ki = 60000 nM
|
[4] | |||
| Compound Name |
2-[[4-(4-Methyl-1,3-dioxoisoindol-2-yl)benzoyl]amino]acetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1814081; BDBM50350142
Click to Show/Hide
|
||||
| Activity |
Ki = 60000 nM
|
[12] | |||
| Compound Name |
2-(4-{[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl)-amino]-methyl}-benzoylamino)-pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL106699; BDBM50030818; N-[4-[[[(2,4-Diaminofuro[2,3-d]pyrimidin-5-yl)methyl]amino]methyl]benzoyl]-L-glutamic acid
Click to Show/Hide
|
||||
| Activity |
IC50 = 63000 nM
|
[13] | |||
| Compound Name |
Methyl 1-[4-[(2,4-diaminopteridin-6-yl)methyl-(2-hydroxyethyl)amino]benzoyl]piperidine-4-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2178602; SCHEMBL12994357; BDBM50398391
Click to Show/Hide
|
||||
| Activity |
Ki = 64000 nM
|
[14] | |||
| Compound Name |
[(2R,3S,5R)-5-[5-[4-(Dimethylamino)phenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3144192; BDBM50023639
Click to Show/Hide
|
||||
| Activity |
Ki = 66300 nM
|
[9] | |||
| Compound Name |
(2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3125089; BDBM50070031
Click to Show/Hide
|
||||
| Activity |
IC50 = 68000 nM
|
[4] | |||
| Compound Name |
N-(4-Aminophenyl)-4-hydroxy-2-oxo-1-pentyl-1,2-dihydro-3-quinolinecarboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2180552; BDBM50399278; AKOS000622885; ZINC100502045; MCULE-6506023088; AG-690/40125027; SR-01000315758; SR-01000315758-1
Click to Show/Hide
|
||||
| Activity |
IC50 = 71000 nM
|
[15] | |||
| Compound Name |
Benzo[f]quinazolin-1(2H)-one, 3-amino-9-fluoro-5,6-dihydro-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL307278; SCHEMBL6654515; 3-amino-9-fluoro-5,6-dihydro-4H-benzo[f]quinazolin-1-one; 3-Amino-9-fluoro-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 73000 nM
|
[3] | |||
| Compound Name |
3-Amino-8-fluoro-10-aminobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL75376; SCHEMBL6650553; 3,10-diamino-8-fluoro-4H-benzo[f]quinazolin-1-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 73800 nM
|
[3] | |||
| Compound Name |
(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3407792; BDBM50070034
Click to Show/Hide
|
||||
| Activity |
IC50 = 75000 nM
|
[4] | |||
| Compound Name |
Benzo[f]quinazolin-1(2H)-one, 3-amino-10-nitro-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL75476; SCHEMBL6648887; 3-amino-10-nitro-4H-benzo[f]quinazolin-1-one; 3-Amino-10-nitrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 79000 nM
|
[3] | |||
| Compound Name |
(S)-2-{4-[2-(2-Amino-4-ethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL157434; SCHEMBL2413781; BDBM50123630
Click to Show/Hide
|
||||
| Activity |
IC50 = 80000 nM
|
[16] | |||
| Compound Name |
2-(4-Hydroxybiphenyl-3-Yl)-4-Methyl-1h-Isoindole-1,3(2h)-Dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1231545; C00; BDBM50350126; DB07507; Q27096726
Click to Show/Hide
|
||||
| Activity |
Ki = 81000 nM
|
[12] | |||
| Compound Name |
2-[[4-[[(2-Methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]methyl]benzoyl]amino]pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL92589; BDBM50406556
Click to Show/Hide
|
||||
| Activity |
IC50 = 83000 nM
|
[17] | |||
| Compound Name |
Benzo[f]quinazolin-1(2H)-one, 3-amino-7-fluoro-5,6-dihydro-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL75731; SCHEMBL6650576; 3-amino-7-fluoro-5,6-dihydro-4H-benzo[f]quinazolin-1-one; 3-Amino-7-fluoro-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 83600 nM
|
[3] | |||
| Compound Name |
3-Amino-9-vinylbenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL75213; SCHEMBL6650263; ZINC13832425; 3-amino-9-ethenyl-4H-benzo[f]quinazolin-1-one; 3-Amino-9-ethenylbenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 85000 nM
|
[3] | |||
| Compound Name |
2-Amino-6-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanylmethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3392214; BDBM50227823
Click to Show/Hide
|
||||
| Activity |
Ki = 93000 nM
|
[18] | |||
| Compound Name |
3-Amino-9-ethynyl-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL75501; SCHEMBL6654418; ZINC13832442; 3-amino-9-ethynyl-5,6-dihydro-4H-benzo[f]quinazolin-1-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 97000 nM
|
[3] | |||
| Compound Name |
5-(4-Nitrophenoxy)acenaphthylene-1,2-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2323365; CBDivE_001345; SCHEMBL13576503; BDBM50426851; STK367720; AKOS005445114; MCULE-6190580716; EU-0033548; ST51059120; SR-01000390454; SR-01000390454-1
Click to Show/Hide
|
||||
| Activity |
Ki ~ 98000 nM
|
[8] | |||
| Compound Name |
3-Methylamino-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL305610; SCHEMBL6650941; ZINC13832485; 3-(methylamino)-5,6-dihydro-4H-benzo[f]quinazolin-1-one; 5,6-dihydro-3-(methylamino)benzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 98400 nM
|
[3] | |||
| Compound Name |
N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4063104; LSN 3213128; LSN-3213128; 1941211-99-9 (free); SCHEMBL17801537; BDBM50243415; HY-107981; CS-0031099
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[19] | |||
| Compound Name |
2-[[4-[[(2-Amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)-methylamino]methyl]benzoyl]amino]pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL156308
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[20] | |||
| Compound Name |
(2S)-2-{[4-({2-Amino-5-methyl-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-6-yl}sulfanyl)phenyl]formamido}pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL224974; BDBM18794; pyrrolo[2,3-d]pyrimidine scaffold, 4
Click to Show/Hide
|
||||
| Activity |
IC50 = 100000 nM
|
[21] | |||
| Compound Name |
2-{4-[(2-Amino-4-oxo-3,4-dihydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-4-(ethoxy-hydroxy-phosphoryl)-butyric acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL294973; BDBM50005866
Click to Show/Hide
|
||||
| Activity |
IC50 = 100000 nM
|
[7] | |||
| Compound Name |
2-[[4-[[(2-Amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL157230
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[20] | |||
| Compound Name |
2-Methyl-5-phenoxy-3H-quinazolin-4-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL165683; BDBM50046649; ZINC13826147; 2-Methyl-5-[phenoxy]quinazolin-4(3H)-one
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[22] | |||
| Compound Name |
N-(4-((3-(2,4-Diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl)amino)benzoyl)glutamic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
543U76; 5-DACTHF; 5,11-Methenyltetrahydrohomofolate; CHEMBL13659; 5-Deazacyclotetrahydrofolate; SCHEMBL9688062; DTXSID90922646; ZINC8642279; BDBM50005520
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[20] | |||
| Compound Name |
4-[1-(4-Hydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-benzoic acid methyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3144197; BDBM50023635
Click to Show/Hide
|
||||
| Activity |
Ki = 102500 nM
|
[9] | |||
| Compound Name |
Benzo[f]quinazolin-1(2H)-one, 3-amino-8-fluoro-5,6-dihydro-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL74558; SCHEMBL6648534; 3-amino-8-fluoro-5,6-dihydro-4H-benzo[f]quinazolin-1-one; 3-Amino-8-fluoro-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 107000 nM
|
[3] | |||
| Compound Name |
2-{2-[4-(2-Amino-2-oxoethoxy)benzylidene]hydrazino}-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2180555; BDBM50399276; AO-081/13877118
Click to Show/Hide
|
||||
| Activity |
IC50 = 112000 nM
|
[15] | |||
| Compound Name |
[(2R,3S,5R)-5-[5-(4-Cyanophenyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3144193; BDBM50023642
Click to Show/Hide
|
||||
| Activity |
Ki = 114200 nM
|
[9] | |||
| Compound Name |
[(2R,3S,5R)-5-[5-(4-Carbamoylphenyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3144195; BDBM50023643
Click to Show/Hide
|
||||
| Activity |
Ki = 119400 nM
|
[9] | |||
| Compound Name |
2-{4-[(2-Amino-5-{1-[4-hydroxy-5-(hydroxy-methoxy-phosphoryloxymethyl)-tetrahydro-furan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl}-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[3,2-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3144213; thvmidvlate svnthase inhibitor 2c; BDBM50028109; CID44292651
Click to Show/Hide
|
||||
| Activity |
Ki = 120000 nM
|
[23] | |||
| Compound Name |
1,8-Naphthalein derivative, 11
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL217000; BDBM18764; CTK6G6555; chloro-bis(3-chloro-4-hydroxy-phenyl)[?]one; 3,3-Bis(3-chloro-4-hydroxyphenyl)-6-chloro-1H,3H-naphtho[1,8-cd]pyran-1-one; 6-chloro-3,3-bis(3-chloro-4-hydroxyphenyl)-1h,3h-benzo[de]isochromen-1-one; 6-Chloro-3,3-bis-(3-chloro-4-hydroxy-phenyl)-3H-benzo[de]isochromen-1-one
Click to Show/Hide
|
||||
| Activity |
Ki ~ 120000 nM
|
[24] | |||
| Compound Name |
2-Methyl-5-[(2-pyridinyl)thio]quinazolin-4(3H)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL351839; BDBM50046644; ZINC13826153; 2-Methyl-5-(pyridin-2-ylsulfanyl)-3H-quinazolin-4-one
Click to Show/Hide
|
||||
| Activity |
Ki = 120000 nM
|
[22] | |||
| Compound Name |
1,8-Naphthalein derivative, 13
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL217765; BDBM18766
Click to Show/Hide
|
||||
| Activity |
Ki ~ 132000 nM
|
[24] | |||
| Compound Name |
1,1-Bis(4-hydroxyphenyl)benzo[e]isobenzofuran-3-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL386685; 1,2-naphthalein derivative, 1; BDBM18755; 3,3-bis(4-hydroxyphenyl)-4-oxatricyclo[7.4.0.0;{2,6}]trideca-1(9),2(6),7,10,12-pentaen-5-one
Click to Show/Hide
|
||||
| Activity |
Ki ~ 132000 nM
|
[24] | |||
| Compound Name |
1,1-Bis(3-bromo-4-hydroxy-phenyl)benzo[e]isobenzofuran-3-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL215133; Phenolnaphthalein derivative, 4; 1,2-naphthalein derivative, 4; BDBM18758
Click to Show/Hide
|
||||
| Activity |
Ki ~ 132000 nM
|
[24] | |||
| Compound Name |
3,3-Bis(3-fluoro-4-hydroxy-phenyl)benzo[g]isobenzofuran-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL411871; 1,2-naphthalein derivative, 8; BDBM18761
Click to Show/Hide
|
||||
| Activity |
Ki ~ 132000 nM
|
[24] | |||
| Compound Name |
1,8-Naphthalein derivative, 9
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL385296; BDBM18762
Click to Show/Hide
|
||||
| Activity |
Ki ~ 132000 nM
|
[24] | |||
| Compound Name |
[(2R,3S,5R)-3-Hydroxy-5-[5-(4-hydroxyphenyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3144191; BDBM50023644
Click to Show/Hide
|
||||
| Activity |
Ki = 134100 nM
|
[9] | |||
| Compound Name |
3-Amino-8,10-dinitrobenzo(f)quinazolin-1(2h)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL433327; SCHEMBL6655494; 3-amino-8,10-dinitro-4H-benzo[f]quinazolin-1-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 145500 nM
|
[3] | |||
| Compound Name |
3-Amino-7-methoxy-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL74322; SCHEMBL6652367; ZINC13832459
Click to Show/Hide
|
||||
| Activity |
IC50 = 146000 nM
|
[3] | |||
| Compound Name |
2-[4-({2-Amino-5-[1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl]-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[3,2-d]pyrimidin-6-ylmethyl}-amino)-benzoylamino]-pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3144214; thvmidvlate svnthase inhibitor 2a; BDBM50028110; CID44292781
Click to Show/Hide
|
||||
| Activity |
Ki = 150000 nM
|
[23] | |||
| Compound Name |
Diethyl 2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[3,2-d]pyrimidin-6-yl)methyl-nitrosoamino]benzoyl]amino]pentanedioate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL46945; BDBM50028106
Click to Show/Hide
|
||||
| Activity |
Ki = 150000 nM
|
[23] | |||
| Compound Name |
Benzo[f]quinazolin-1(2H)-one, 3-amino-7-bromo-5,6-dihydro-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
TCMDC-137755; CHEMBL73076; SCHEMBL6648029; 3-amino-7-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one; 3-Amino-7-bromo-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 154000 nM
|
[3] | |||
| Compound Name |
3-Methyl-7-iodo-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL73738; SCHEMBL6650325; ZINC13832470; 7-iodo-3-methyl-5,6-dihydro-4H-benzo[f]quinazolin-1-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 154000 nM
|
[3] | |||
| Compound Name |
Benzo[f]quinazolin-1(2H)-one, 3,8-diamino-5,6-dihydro-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL75388; SCHEMBL6647543; 3,8-diamino-5,6-dihydro-4H-benzo[f]quinazolin-1-one; 3,8-Diamino-5,6-dihydrobenzo[f]quinazolin-1(2H)-one; 3-Amino-8-amino-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 156000 nM
|
[3] | |||
| Compound Name |
4-Amino-1,8-naphthalic anhydride
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
6-Aminobenzo[de]isochromene-1,3-dione; 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-amino-; 4-Aminonaphthalene-1,8-dicarboxylic anhydride; 6-amino-1h,3h-benzo[de]isochromene-1,3-dione; CHEMBL2323375; 8-amino-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione; Naphthalic anhydride, 4-amino-; NSC7564; EINECS 229-372-4; zlchem 1207; SCHEMBL1025154; 4-Aminonaphthalic acid anhydride; CTK8B9816; DTXSID10215229; ZLD0676; BCP10398; NSC-7564; ANW-63196; BDBM50426886; MFCD00009776; ZINC95585341; AKOS003247522; AC-6718; AT-7373; CS-W006543; VZ28183; 1H,8-cd]pyran-1,3-dione, 6-amino-; 4-Amino-1,8-naphthalic anhydride, 95%; AK-87975; AS-19655; FT-0636166; Y3249; 492A860; 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,6-amino-; 10-amino-3-oxatricyclo[7.3.1.0?,??]trideca-1(13),5,7,9,11-pentaene-2,4-dione
Click to Show/Hide
|
||||
| Activity |
Ki ~ 160000 nM
|
[8] | |||
| Compound Name |
(R)-2-{4-[(2-Amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL75276; BDBM50078076
Click to Show/Hide
|
||||
| Activity |
IC50 = 180000 nM
|
[25] | |||
| Compound Name |
(S)-2-{[5-(5-Fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphorylamino}-3-phenyl-propionic acid methyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL96148; BDBM50054517
Click to Show/Hide
|
||||
| Activity |
IC50 = 190000 nM
|
[26] | |||
| Compound Name |
3-Methyl-7-chloro-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL310040; SCHEMBL6843070; ZINC13832469; 7-chloro-3-methyl-5,6-dihydro-4H-benzo[f]quinazolin-1-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 192800 nM
|
[3] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 57 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Furo[2,3d]Pyrimidine Antifolate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Dpmmabg; furo[2,3d]pyrimidine antifolate; CHEMBL104829; 156595-85-6; N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE; MOT; MTXO; AC1L4JTH; CTK4C9124; DTXSID50166105; 2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid; BDBM50091145; AKOS030607152; DB02026; N-(4-(((2,4-Diaminofuro(2,3-d)pyrimidin-5-yl)methyl)methylamino)benzoyl)-L-glutamic acid; N-(4-(N-((2,4-Diamino-furo(2,3-d)pyrimidin-5-yl)methyl)methylamino)benzoyl)glutamic acid
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[27] | |||
| Compound Name |
Folic acid
Click to Show/Hide
|
Phase 2/3 Trial | Compound Info | ||
| Synonyms |
Folate; Pteroylglutamic acid; Vitamin M; Folacin; PteGlu; Folacid; Folvite; Vitamin B9; Vitamin Bc
Click to Show/Hide
|
||||
| Activity |
IC50 = 290000 nM
|
[6] | |||
| Compound Name |
flavin mononucleotide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
riboflavin 5'-phosphate; riboflavin 5'-monophosphate
Click to Show/Hide
|
||||
| Activity |
IC50 > 500000 nM
|
[28] | |||
| Compound Name |
Tosyl-D-Proline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
TOSYL-D-PROLINE; TOS-D-PRO-OH; 110771-95-4; N-tosyl-D-proline; CHEMBL334226; TPR; (2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid; 1f4e; AC1L9I3X; SCHEMBL2636629; ZINC63280; CTK8E6464; DTXSID60332192; CGPHGPCHVUSFFA-LLVKDONJSA-N; MolPort-014-930-952; BDBM50149243; 7792AH; AKOS006162662; DB02752; 1-[(4-methylphenyl)sulfonyl]-D-proline; AS-46804; D-Proline,1-[(4-methylphenyl)sulfonyl]-; D-Proline, 1-[(4-methylphenyl)sulfonyl]-; RT-016051; K-0696; (2R)-1-Tosylpyrrolidine-2beta-carboxylic acid; J-002477
Click to Show/Hide
|
||||
| Activity |
Ki = 1100000 nM
|
[29] | |||
| Compound Name |
2,4-Diamino-5-methyl-6-(3''-methoxyphenylsulfanyl)-furo[2,3-d]pyrimidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL598292; BDBM50310333
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[27] | |||
| Compound Name |
5-Methyl-6-(2-methyl-6-propan-2-ylphenyl)sulfanylfuro[2,3-d]pyrimidine-2,4-diamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL611984; BDBM50310331; 2,4-Diamino-5-methyl-6-(2''-isopropyl-6''-methylphenylsulfanyl)-furo[2,3-d]pyrimidine
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[27] | |||
| Compound Name |
2-[4-(2-Amino-4-oxo-4,4b,5,7,8,8a,9,10-octahydro-3H-1,3,6,10-tetraaza-phenanthren-6-yl)-benzoylamino]-pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL158034; BDBM50011325
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[30] | |||
| Compound Name |
2,4-Diamino-5-methyl-6-(2''-methoxyphenylsulfanyl)-furo[2,3-d]pyrimidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL598090; BDBM50310334
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[27] | |||
| Compound Name |
N-[4-[2-(2,4-Diaminofuro[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL323565; SCHEMBL6305013; BDBM50030819; (S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid; 2-{4-[2-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid; (S)-2-{4-[2-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[27] | |||
| Compound Name |
6-(2,5-Dimethoxyphenyl)sulfanyl-5-methylfuro[2,3-d]pyrimidine-2,4-diamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL596681; BDBM50310337; 2,4-Diamino-5-methyl-6-(2'',5''-dimethoxyphenylsulfanyl)-furo[2,3-d]pyrimidine
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[27] | |||
| Compound Name |
2-[[4-[(2,4-Diaminofuro[2,3-d]pyrimidin-5-yl)methylamino]benzoyl]amino]pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL17383; CTK8H1004; 2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl)-amino]-benzoylamino}-pentanedioic acid; BDBM50041179
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[31] | |||
| Compound Name |
Dpmabg
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL106628; DTXSID60935480; BDBM50030820
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[27] | |||
| Compound Name |
6-(2,6-Dichlorophenyl)sulfanyl-5-methylfuro[2,3-d]pyrimidine-2,4-diamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL596680; BDBM50310327; 2,4-Diamino-5-methyl-6-(2'',6''-dichlorophenylsulfanyl)-furo[2,3-d]pyrimidine
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[27] | |||
| Compound Name |
2,4-Diamino-5-methyl-6-(1-naphthylthio)furo[2,3-d]pyrimidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL602104; BDBM50310330
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[27] | |||
| Compound Name |
6-(3,4-Dimethoxyphenyl)sulfanyl-5-methylfuro[2,3-d]pyrimidine-2,4-diamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL598293; BDBM50310332; 2,4-Diamino-5-methyl-6-(3'',4''-dimethoxyphenylsulfanyl)-furo[2,3-d]pyrimidine
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[27] | |||
| Compound Name |
2,4-Diamino-5-methyl-6-(4''-methoxyphenylsulfanyl)-furo[2,3-d]pyrimidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL597885; BDBM50310336
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[27] | |||
| Compound Name |
2,4-Diamino-5-methyl-6-(2-naphthylthio)furo[2,3-d]pyrimidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL596673; BDBM50310329
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[27] | |||
| Compound Name |
6-(2,6-Dimethylphenyl)sulfanyl-5-methylfuro[2,3-d]pyrimidine-2,4-diamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL609896; BDBM50310328; 2,4-Diamino-5-methyl-6-(2'',6''-dimethylphenylsulfanyl)-furo[2,3-d]pyrimidine
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[27] | |||
| Compound Name |
5-Methyl-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]sulfanylfuro[2,3-d]pyrimidine-2,4-diamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL604722; BDBM50310335
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[27] | |||
| Compound Name |
2-[[4-[(2,4-Diaminofuro[2,3-d]pyrimidin-5-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL278515; CTK8H1005; 2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid; BDBM50041176
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[31] | |||
| Compound Name |
2-(4-Imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1814079; BDBM50350125
Click to Show/Hide
|
||||
| Activity |
Ki = 206000 nM
|
[12] | |||
| Compound Name |
N-(2,4-Dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)-4-(trifluoromethyl)benzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2323381; BDBM50426882
Click to Show/Hide
|
||||
| Activity |
Ki > 206000 nM
|
[8] | |||
| Compound Name |
3-Nitro-1,8-naphthalic anhydride
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
3-Nitronaphthalic anhydride; NAPHTHALIC ANHYDRIDE, 3-NITRO-; 5-Nitrobenzo[de]isochromene-1,3-dione; 5-Nitro-1H,3H-benzo[de]isochromene-1,3-dione; 1H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 5-nitro-; 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 5-nitro-; CHEMBL2323376; 7-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione; 3-Nitro-1,8-naphthalic anhydride, 99%; NSC 32326; BRN 0023762; MFCD00006926; 5-17-11-00495 (Beilstein Handbook Reference); SCHEMBL1565380; DTXSID10184360; ALBB-012861; NSC32326; 9532AD; BDBM50426885; NSC-32326; ZINC95581519; AKOS005173861; MCULE-8288432028; VZ27135; 3-Nitro-1,8-naphthalic anhydride, 95%; DB-047740; FT-0616216; R1158; ST50307287; 3-Nitronaphthalene-1,8-dicarboxylic anhydride; 3-Nitro-1,8-naphthalic anhydride, technical grade; 5-Nitro-1H,3H-benzo[de]isochromene-1,3-dione #; 5-nitro-1h,3h-naphtho[1,8-cd]pyran-1,3-dione
Click to Show/Hide
|
||||
| Activity |
Ki > 206000 nM
|
[8] | |||
| Compound Name |
(E)-N-(2,4-Dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2323400; BDBM50426879
Click to Show/Hide
|
||||
| Activity |
Ki > 206000 nM
|
[8] | |||
| Compound Name |
2-({4-[2-(4,6-Diamino-furo[2,3-b]pyridin-3-yl)-ethyl]-benzoyl}-methyl-amino)-pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL57444; BDBM50112313
Click to Show/Hide
|
||||
| Activity |
IC50 = 220000 nM
|
[32] | |||
| Compound Name |
2-({4-[1-(4,6-Diamino-furo[2,3-b]pyridin-3-ylmethyl)-propyl]-benzoyl}-methyl-amino)-pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL56977; BDBM50112312
Click to Show/Hide
|
||||
| Activity |
IC50 = 220000 nM
|
[32] | |||
| Compound Name |
3-Amino-8-methoxy-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL74269; SCHEMBL4739962; ZINC13832458; 3-amino-8-methoxy-5,6-dihydro-4H-benzo[f]quinazolin-1-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 220000 nM
|
[3] | |||
| Compound Name |
1,1-Bis(4-hydroxy-3-iodo-phenyl)benzo[e]isobenzofuran-3-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL216560; 1,2-naphthalein derivative, 3; BDBM18757; 3,3-bis(4-hydroxy-3-iodophenyl)-4-oxatricyclo[7.4.0.0;{2,6}]trideca-1(9),2(6),7,10,12-pentaen-5-one
Click to Show/Hide
|
||||
| Activity |
Ki > 245000 nM
|
[24] | |||
| Compound Name |
Phenolnaphthalein derivative, 3
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL217227; BDBM18770; 1,8-naphthalein derivative, 18
Click to Show/Hide
|
||||
| Activity |
Ki > 245000 nM
|
[24] | |||
| Compound Name |
1,1-Bis(3,5-dibromo-4-hydroxy-phenyl)benzo[e]isobenzofuran-3-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL214872; Phenolnaphthalein derivative, 5; 1,2-naphthalein derivative, 5; BDBM18759
Click to Show/Hide
|
||||
| Activity |
Ki > 245000 nM
|
[24] | |||
| Compound Name |
Phenolnaphthalein derivative, 2
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL216675; BDBM18772; 1,8-naphthalein derivative, 16
Click to Show/Hide
|
||||
| Activity |
Ki > 245000 nM
|
[24] | |||
| Compound Name |
3-Amino-6-methyl-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL308380; SCHEMBL6654836; 3-amino-6-methyl-5,6-dihydro-4H-benzo[f]quinazolin-1-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 250000 nM
|
[3] | |||
| Compound Name |
2-{4-[(2-Amino-4-oxo-3,4-dihydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-4-phosphono-butyric acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL40850; BDBM50005867
Click to Show/Hide
|
||||
| Activity |
IC50 = 300000 nM
|
[7] | |||
| Compound Name |
delta(Sup 1),alpha-Acenaphthenemalononitrile, 2-oxo-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
UNII-E1D0M0NA1C; E1D0M0NA1C; CHEMBL2314369; NSC 92322; BRN 2973830; 2-Oxo-delta(sup1),alpha-acenaphthenemalononitrile; NSC92322; 2-Oxo-delta(sup 1),alpha-acenaphthenemalononitrile; Propanedinitrile, (2-oxo-1(2H)-acenaphthylenylidene)-; NCIOpen2_005967; .delta.(sup1), 2-oxo-; 2-(2-oxoacenaphthylen-1-ylidene)propanedinitrile; SCHEMBL2367407; 1-Dicyanmethylen-2-acenaphthenon; DTXSID90163294; ZINC497930; BDBM50425963; NSC-92322; 1-dicyanomethylene-2-oxo-acenaphthene; 1-(Dicyanomethylene)acenaphthen-2-one; 2-(Dicyanomethylene)acenaphthene-1-one; DS-012296; 2-Oxo-.delta.(sup1),.alpha.-acenaphthenemalononitrile; Propanedinitrile,2-(2-oxo-1(2h)-acenaphthylenylidene)-; Propanedinitrile, (2-oxo-1(2H)-acenaphthylenylidene)- (9CI)
Click to Show/Hide
|
||||
| Activity |
Ki > 309000 nM
|
[8] | |||
| Compound Name |
3,3-Diphenyl-1h,3h-benzo[de]isochromen-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2323369; 3,3-Diphenyl-1H,3H-naphtho[1,8-cd]pyran-1-one; 3,3-DIPHENYL-1H,3H-NAPHTHO(1,8-CD)PYRAN-1-ONE; NSC154693; CTK4C6187; DTXSID40302858; ZINC4765018; BDBM50426846; AKOS024338090; MCULE-8177661051; NSC-154693
Click to Show/Hide
|
||||
| Activity |
Ki > 309000 nM
|
[8] | |||
| Compound Name |
2-(Phenylimino)acenaphthene-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2323366; 2-phenyliminoacenaphthenone; BDBM50426850; AKOS003610461; MCULE-7671386147; 2-PHENYLIMINO-2H-ACENAPHTHYLEN-1-ONE
Click to Show/Hide
|
||||
| Activity |
Ki > 309000 nM
|
[8] | |||
| Compound Name |
(2S)-2-[[4-[(E)-1-(2,4-Diaminofuro[2,3-d]pyrimidin-5-yl)prop-1-en-2-yl]benzoyl]amino]pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2092925; BDBM50369577; N-[4-[(E)-1-Methyl-2-(2,4-diaminofuro[2,3-d]pyrimidine-5-yl)vinyl]benzoyl]-L-glutamic acid
Click to Show/Hide
|
||||
| Activity |
IC50 > 360000 nM
|
[33] | |||
| Compound Name |
2-{4-[2-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl)-1-methyl-ethyl]-benzoylamino}-pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL430872; BDBM50091147
Click to Show/Hide
|
||||
| Activity |
IC50 > 360000 nM
|
[33] | |||
| Compound Name |
2-({4-[2-(4,6-Diamino-furo[2,3-b]pyridin-3-yl)-1-methyl-ethyl]-benzoyl}-methyl-amino)-pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL60639; BDBM50112314
Click to Show/Hide
|
||||
| Activity |
IC50 > 360000 nM
|
[32] | |||
| Compound Name |
Phenolnaphthalein derivative, 1
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL303171; NSC719487; BDBM18769; CTK7B8096; 1,8-naphthalein derivative, 17; NSC-719487; bis(3-fluoro-4-hydroxy-phenyl)[?]one; NCI60_041033; 3,3-bis(3-fluoro-4-hydroxyphenyl)-1h,3h-benzo[de]isochromen-1-one; 3,3-Bis-(3-fluoro-4-hydroxy-phenyl)-3H-benzo[de]isochromen-1-one; 3,3-bis(3-fluoro-4-hydroxyphenyl)-1h,3h-naphtho[1,8-cd]pyran-1-one
Click to Show/Hide
|
||||
| Activity |
Ki > 402000 nM
|
[24] | |||
| Compound Name |
3-Chloro-N-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)-1-benzothiophene-2-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2323386; BDBM50426881
Click to Show/Hide
|
||||
| Activity |
Ki > 411000 nM
|
[8] | |||
| Compound Name |
3-Amino-1,8-naphthalic anhydride
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2323377; 5-AMINOBENZO[DE]ISOCHROMENE-1,3-DIONE; ST4132730; 5-amino-1H,3H-benzo[de]isochromene-1,3-dione; SCHEMBL1565203; CTK4F1090; DTXSID90506723; BDBM50426884; STK696306; ZINC95585010; AKOS003611394; MCULE-5077894992; J3.573.148B; 5-Amino-1H,3H-naphtho[1,8-cd]pyran-1,3-dione; 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,5-amino-; 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 5-amino-; 11-amino-3-oxatricyclo[7.3.1.0?,??]trideca-1(13),5,7,9,11-pentaene-2,4-dione
Click to Show/Hide
|
||||
| Activity |
Ki > 412000 nM
|
[8] | |||
| Compound Name |
Unii-D1OE4mxz8A
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
D1OE4MXZ8A; CHEMBL257363; SCHEMBL350010; BDBM50411966; 2',2'-difluorodeoxyuridine monophosphate; 2',2'-Difluorodeoxyuridine 5'-monophosphate; 2'-Deoxy-2',2'-difluoro-5'-uridylic acid; 2',2'-Difluoro-2'-deoxyuridine 5'-phosphoric acid
Click to Show/Hide
|
||||
| Activity |
Ki = 432800 nM
|
[34] | |||
| Compound Name |
5-Amino-2-{4-[(2-amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL289923; BDBM50002471
Click to Show/Hide
|
||||
| Activity |
IC50 = 470000 nM
|
[35] | |||
| Compound Name |
6-[(2-Hydroxyethyl)thio]-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2323373; 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,6-[(2-hydroxyethyl)thio]-; ACMC-1BPV0; SCHEMBL6516581; CTK3J9565; DTXSID10381751; BDBM50426844; ZINC95582342; AKOS024319326; MCULE-4856187237; DB-004235; FT-0701642; 4-(2-hydroxyethylthio)-1,8-naphthalic anhydride; Methyl1-(5-bromopyridin-2-yl)-5-(2-chlorophenyl)pyrazole-4-carboxylate
Click to Show/Hide
|
||||
| Activity |
Ki > 474000 nM
|
[8] | |||
| Compound Name |
3-Amino-8-fluoro-7-nitrobenzo(f)quinazolin-1(2h)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL308790; SCHEMBL6649190; 3-Amino-7-nitro-8-fluorobenzo[f]quinazolin-1(2H)-one; 3-amino-8-fluoro-7-nitro-4H-benzo[f]quinazolin-1-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 552000 nM
|
[3] | |||
| Compound Name |
3-Amino-7,9-dimethyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL73229; SCHEMBL6651366; BDBM50044612; ZINC13832454; 3-amino-5,6-dihydro-7,9-dimethylbenzo[f]quinazolin-1(2H)one; 3-amino-7,9-dimethyl-5,6-dihydro-4H-benzo[f]quinazolin-1-one; 3-Amino-7,9-dimethyl-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 560000 nM
|
[3] | |||
| Compound Name |
(E)-3-(2-Chlorophenyl)-N-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)prop-2-enamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2323399; BDBM50426880
Click to Show/Hide
|
||||
| Activity |
Ki > 616000 nM
|
[8] | |||
| Compound Name |
Benzyl (1-(2-((2-hydroxyethyl)amino)ethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
NSC624908; CHEMBL1973426; CTK8A5410; ZINC1617939; BDBM50399275; MCULE-4265332975; NSC-624908; NCI60_007610; AJ-030/12105275
Click to Show/Hide
|
||||
| Activity |
IC50 = 619000 nM
|
[15] | |||
| Compound Name |
Benzo[f]quinazolin-1(2H)-one, 3-amino-10-chloro-5,6-dihydro-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL307064; 3-Amino-10-chloro-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 770000 nM
|
[3] | |||
| Compound Name |
4-Amino-N-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)benzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2323380; BDBM50426883
Click to Show/Hide
|
||||
| Activity |
Ki > 823000 nM
|
[8] | |||
| Compound Name |
1H,3H-Naphtho[1,8-cd]pyran-6-sulfonic acid, 1,3-dioxo-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2323372; 1H,3H-Naphtho(1,8-cd)pyran-6-sulfonic acid, 1,3-dioxo-; 1,3-dioxo-1h,3h-benzo[de]isochromene-6-sulfonic acid; EINECS 257-647-9; SCHEMBL1710169; 1,3-Dioxo-1H,3H-naphtho[1,8-cd]pyran-6-sulfonic acid; DTXSID8068705; CTK1H2525; 4-sulfo-1,8-naphthalic anhydride; 4-Sulpho-1,8-Naphthalic Anhydride; BDBM50426845; ZINC60272385; MCULE-1216707952; 1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6-sulphonic acid; 1H,3H-Naphtho[1,8-cd]pyran-6-sulfonicacid, 1,3-dioxo-
Click to Show/Hide
|
||||
| Activity |
Ki > 824000 nM
|
[8] | |||
| Compound Name |
3-(2-Chlorophenyl)-N-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)-5-methyl-1,2-oxazole-4-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2323401; BDBM50426878
Click to Show/Hide
|
||||
| Activity |
Ki > 826000 nM
|
[8] | |||
| Compound Name |
2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL170101; SCHEMBL14469100; BDBM50003896; NSC660025; NSC-660025; 5,6-Dideaza-5,6,7,8-tetrahydrofolic acid; FT-0670839
Click to Show/Hide
|
||||
| Activity |
IC50 > 1000000 nM
|
[20] | |||
| Compound Name |
2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-4-sulfo-butyric acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL417696; BDBM50005865
Click to Show/Hide
|
||||
| Activity |
IC50 = 2100000 nM
|
[7] | |||
| Compound Name |
2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-4-phosphono-butyric acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL38902; BDBM50005868
Click to Show/Hide
|
||||
| Activity |
IC50 = 4200000 nM
|
[7] | |||
| Compound Name |
2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-4-(ethoxy-hydroxy-phosphoryl)-butyric acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL41459; BDBM50005860
Click to Show/Hide
|
||||
| Activity |
IC50 > 5000000 nM
|
[7] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Design, synthesis, and X-ray crystal structure of a potent dual inhibitor of thymidylate synthase and dihydrofolate reductase as an antitumor agent. J Med Chem. 2000 Oct 19;43(21):3837-51. | ||||
| REF 2 | Folate analogues. 26. Syntheses and antifolate activity of 10-substituted derivatives of 5,8-dideazafolic acid and of the poly-gamma-glutamyl metabolites of N10-propargyl-5,8-dideazafolic acid (PDDF). J Med Chem. 1986 Sep;29(9):1754-60. | ||||
| REF 3 | Benzoquinazoline inhibitors of thymidylate synthase: enzyme inhibitory activity and cytotoxicity of some 3-amino- and 3-methylbenzo[f]quinazolin-1(2H)-ones. J Med Chem. 1993 Aug 6;36(16):2279-91. | ||||
| REF 4 | Alanine mutants of the interface residues of human thymidylate synthase decode key features of the binding mode of allosteric anticancer peptides. J Med Chem. 2015 Jan 22;58(2):1012-8. | ||||
| REF 5 | Synthesis of N-(5,7-diamino-3-phenyl-quinoxalin-2-yl)-3,4,5-substituted anilines and N-[4[(5,7-diamino-3-phenylquinoxalin-2-yl)amino]benzoyl]-l-glutamic acid diethyl ester: evaluation of in vitro anti-cancer and anti-folate activities. Eur J Med Chem. 2008 Jan;43(1):189-203. | ||||
| REF 6 | Folate analogues as inhibitors of thymidylate synthase. J Med Chem. 1987 Apr;30(4):675-8. | ||||
| REF 7 | Side chain modified 5-deazafolate and 5-deazatetrahydrofolate analogues as mammalian folylpolyglutamate synthetase and glycinamide ribonucleotide formyltransferase inhibitors: synthesis and in vitro biological evaluation. J Med Chem. 1992 May 1;35(9):1578-88. | ||||
| REF 8 | Ligand-based discovery of N-(1,3-dioxo-1H,3H-benzo[de]isochromen-5-yl)-carboxamide and sulfonamide derivatives as thymidylate synthase A inhibitors. Bioorg Med Chem Lett. 2013 Feb 1;23(3):663-8. | ||||
| REF 9 | Linear free energy relationship studies of enzyme active site binding: thymidylate synthase. J Med Chem. 1988 Jun;31(6):1141-7. | ||||
| REF 10 | 2'-Deoxyuridine 5'-monophosphate substrate displacement in thymidylate synthase through 6-hydroxy-2H-naphtho[1,8-bc]furan-2-one derivatives. J Med Chem. 2013 Nov 27;56(22):9356-60. | ||||
| REF 11 | 2-amino-4-oxo-5-substituted-pyrrolo[2,3-d]pyrimidines as nonclassical antifolate inhibitors of thymidylate synthase. J Med Chem. 1996 Nov 8;39(23):4563-8. | ||||
| REF 12 | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening. J Med Chem. 2011 Aug 11;54(15):5454-67. | ||||
| REF 13 | Effect of bridge region variation on antifolate and antitumor activity of classical 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines. J Med Chem. 1995 Sep 15;38(19):3798-805. | ||||
| REF 14 | Structure-based selectivity optimization of piperidine-pteridine derivatives as potent Leishmania pteridine reductase inhibitors. J Med Chem. 2012 Oct 11;55(19):8318-29. | ||||
| REF 15 | Inhibitor of ovarian cancer cells growth by virtual screening: a new thiazole derivative targeting human thymidylate synthase. J Med Chem. 2012 Nov 26;55(22):10272-6. | ||||
| REF 16 | Design, synthesis, and biological activities of classical N-[4-[2-(2-amino-4-ethylpyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-l-glutamic acid and its 6-methyl derivative as potential dual inhibitors of thymidylate synthase and dihydrofolate reductase and as potential antitumor agents. J Med Chem. 2003 Feb 13;46(4):591-600. | ||||
| REF 17 | Folate analogues. 35. Synthesis and biological evaluation of 1-deaza, 3-deaza, and bridge-elongated analogues of N10-propargyl-5,8-dideazafolic acid. J Med Chem. 1991 Sep;34(9):2746-54. | ||||
| REF 18 | Rational design of enzyme inhibitors: multisubstrate analogue inhibitors. J Med Chem. 1989 Jan;32(1):2-7. | ||||
| REF 19 | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model. J Med Chem. 2017 Dec 14;60(23):9599-9616. | ||||
| REF 20 | Synthesis and biological evaluation of 5-deazaisofolic acid, 5-deaza-5,6,7,8-tetrahydroisofolic acid, and their N9-substituted analogues. J Med Chem. 1991 Feb;34(2):606-10. | ||||
| REF 21 | Synthesis of N-{4-[(2,4-diamino-5-methyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]benzoyl}-L-glutamic acid and N-{4-[(2-amino-4-oxo-5-methy... J Med Chem. 2005 Nov 17;48(23):7215-22. | ||||
| REF 22 | Design of thymidylate synthase inhibitors using protein crystal structures: the synthesis and biological evaluation of a novel class of 5-substituted quinazolinones. J Med Chem. 1993 Mar 19;36(6):733-46. | ||||
| REF 23 | A potent multisubstrate analogue inhibitor of human thymidylate synthetase. J Med Chem. 1984 Dec;27(12):1710-7. | ||||
| REF 24 | Antibacterial agent discovery using thymidylate synthase biolibrary screening. J Med Chem. 2006 Oct 5;49(20):5958-68. | ||||
| REF 25 | Synthesis of classical and a nonclassical 2-amino-4-oxo-6-methyl-5-substituted pyrrolo[2,3-d]pyrimidine antifolate inhibitors of thymidylate synthase. J Med Chem. 1999 Jun 17;42(12):2272-9. | ||||
| REF 26 | Synthesis and biological activity of aromatic amino acid phosphoramidates of 5-fluoro-2'-deoxyuridine and 1-beta-arabinofuranosylcytosine: evidence of phosphoramidase activity. J Med Chem. 1996 Nov 8;39(23):4569-75. | ||||
| REF 27 | 2,4-Diamino-5-methyl-6-substituted arylthio-furo[2,3-d]pyrimidines as novel classical and nonclassical antifolates as potential dual thymidylate synthase and dihydrofolate reductase inhibitors. Bioorg Med Chem. 2010 Jan 15;18(2):953-61. | ||||
| REF 28 | Novel non-active site inhibitor of Cryptosporidium hominis TS-DHFR identified by a virtual screen. Bioorg Med Chem Lett. 2009 Jan 15;19(2):418-23. | ||||
| REF 29 | Fragment-based drug discovery. J Med Chem. 2004 Jul 1;47(14):3463-82. | ||||
| REF 30 | Synthesis and biological activity of 5,11-methylenetetrahydro-5- deazahomofolic acid. J Med Chem. 1991 Feb;34(2):611-6. | ||||
| REF 31 | Classical and nonclassical furo[2,3-d]pyrimidines as novel antifolates: synthesis and biological activities. J Med Chem. 1994 Apr 15;37(8):1169-76. | ||||
| REF 32 | Synthesis of N-[4-[1-ethyl-2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid as an antifolate. J Med Chem. 2002 Apr 25;45(9):1942-8. | ||||
| REF 33 | Effect of C9-methyl substitution and C8-C9 conformational restriction on antifolate and antitumor activity of classical 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines. J Med Chem. 2000 Aug 10;43(16):3125-33. | ||||
| REF 34 | A molecular modeling study of the interaction of 2'-fluoro-substituted analogues of dUMP/FdUMP with thymidylate synthase. Bioorg Med Chem Lett. 2008 Apr 15;18(8):2701-8. | ||||
| REF 35 | Synthesis and biological evaluation of N alpha-(5-deaza-5,6,7,8-tetrahydropteroyl)-L-ornithine. J Med Chem. 1992 May 29;35(11):2002-6. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.