Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T68698 | Target Info | |||
| Target Name | Adenosylhomocysteinase (AHCY) | ||||
| Synonyms |
SAHH; SAH hydrolase; S-adenosyl-L-homocysteine hydrolase
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|
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| Target Type | Literature-reported Target | ||||
| Gene Name | AHCY | ||||
| Biochemical Class | Ether bond hydrolase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 30 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(3R,4S,5S)-2-(6-Aminopurin-9-yl)-5-[(2S)-thiiran-2-yl]oxolane-3,4-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL610303; BDBM50370435
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|
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| Activity |
Ki = 50000 nM
|
[1] | |||
| Compound Name |
5-(6-Aminopurin-9-yl)-4-bromo-3-hydroxymethyl-cyclopent-3-ene-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1672009; BDBM50336548
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|
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| Activity |
IC50 = 60170 nM
|
[2] | |||
| Compound Name |
2-Fluoronoraristeromycin
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL129469; BDBM50135289; (1S,2R,3S,4R)-4-(6-amino-2-fluoro-9H-purin-9-yl)cyclopentane-1,2,3-triol; (1S,2R,3S,4R)-4-(6-Amino-2-fluoro-purin-9-yl)-cyclopentane-1,2,3-triol
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|
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| Activity |
IC50 = 63000 nM
|
[3] | |||
| Compound Name |
[(2S,3S,4R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl thiocyanate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL604826; BDBM50366809
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| Activity |
Ki = 67000 nM
|
[4] | |||
| Compound Name |
3-(6-Amino-purin-9-yl)-5-phenyl-cyclopentane-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL298188; .beta.-Phenyl-DHCaA; BDBM50006216; (2S,1R,3R)-3-(6-Aminopurin-9-yl)-5-phenylcyclopentane-1,2-diol; (1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-phenyl-cyclopentane-1,2-diol; (1R)-3alpha-(6-Amino-9H-purin-9-yl)-5alpha-phenylcyclopentane-1beta,2beta-diol
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| Activity |
Ki = 67600 nM
|
[5] | |||
| Compound Name |
2-Fluoroethyl 2-[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL610300; BDBM50370430
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| Activity |
Ki = 75000 nM
|
[6] | |||
| Compound Name |
5'-Amino-5'-deoxyadenosine
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|
Investigative | Compound Info | ||
| Synonyms |
Adenosine, 5'-amino-5'-deoxy-; (2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-(aminomethyl)tetrahydrofuran-3,4-diol; CHEMBL302376; (2R,3S,4R,5R)-2-(AMINOMETHYL)-5-(6-AMINOPURIN-9-YL)OXOLANE-3,4-DIOL; NSC 238990; 5'-NH2-Ado; SCHEMBL506313; 5'-amino-5'-deoxy-adenosine; 2-Aminomethyl-5-(6-amino-purin-9-yl)-tetrahydro-furan-3,4-diol; 5''-amino-5''-deoxyadenosine; Adenosine,5'-amino-5'-deoxy-; CTK8F6723; 5'-Amino-5'-deoxy-D-adenosine; ZINC3814316; 7053AA; BDBM50090850; MFCD04118083; AKOS016009578; SDCCGSBI-0633680.P001; AC-27389; Adenosine, 5'-amino-5'-deoxy- (8CI)(9CI); adenosine, 5'-amino-5'-deoxy-, hydrochloride; Q27455878; 5''-Amino-5''-deoxyadenosine; NSC 238990; AC1L37DI;; (2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)-tetrahydro-furan-3,4-diol
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| Activity |
IC50 = 75020 nM
|
[7] | |||
| Compound Name |
(1S,2R,3S,5R)-3-Amino-5-(6-aminopurin-9-yl)cyclopentane-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL261395; SCHEMBL14635767; BDBM50376496; 3alpha-(6-Amino-9H-purine-9-yl)-5alpha-aminocyclopentane-1beta,2beta-diol; (-)-1,2-Cyclopentanediol, 3-amino-5-(6-amino-9H-purin-9-yl)-, (1S,2R,3S,5R)-
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| Activity |
IC50 = 76000 nM
|
[8] | |||
| Compound Name |
(1R,2S,3R,5R)-3-(2,6-Diaminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL261619; DTXSID40424281; BDBM50373102
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|
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| Activity |
IC50 = 90700 nM
|
[3] | |||
| Compound Name |
(3S,4R,5R)-2-(6-Aminopurin-9-yl)-5-[[[(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyldisulfanyl]methyl]oxolane-3,4-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL611107; BDBM50370436
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|
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| Activity |
Ki = 96000 nM
|
[1] | |||
| Compound Name |
(1S,2R,5S)-5-(6-Amino-purin-9-yl)-4-fluoro-3-mercaptomethyl-cyclopent-3-ene-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL365452; BDBM50155465
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|
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| Activity |
IC50 = 97270 nM
|
[9] | |||
| Compound Name |
2-[5-Chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3597815; BDBM50105875
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|
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| Activity |
IC50 ~ 100000 nM
|
[10] | |||
| Compound Name |
(1S,2R,5S)-5-(6-Amino-purin-9-yl)-3-azidomethyl-4-fluoro-cyclopent-3-ene-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL183737; BDBM50155464
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|
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| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
7-[(1R,4R,5S)-4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3580895; BDBM50096909
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|
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| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
7-[(1S,4R,5S)-2-Fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3580898; BDBM50096912
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|
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| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
2-[5-Chloro-2-(4-chlorophenoxy)-N-(2-oxo-3-piperidin-4-ylbutyl)anilino]-N-(2-pyrrolidin-1-ylethyl)acetamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3597814; BDBM50105874
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|
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| Activity |
IC50 ~ 100000 nM
|
[10] | |||
| Compound Name |
(1S,2R,5R)-5-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
deazaneplanocin A; 7-Deazanaplanocin A; 7-Deaza NPA; CHEMBL200935; BDBM50096907
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|
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| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
(1S,2R,5R)-5-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3580899; BDBM50096960
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|
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| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
2-[5-Chloro-2-(4-chlorophenoxy)-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]anilino]-N-(2-pyrrolidin-1-ylethyl)acetamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3322537; BDBM50050887
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|
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| Activity |
IC50 ~ 100000 nM
|
[10] | |||
| Compound Name |
(1s,2r,5s)-5-(6-Amino-9h-purin-9-yl)-4-fluoro-3-(fluoromethyl)cyclopent-3-ene-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL363897; SCHEMBL1521121; BDBM50155462; ZINC28393586; (1S,2R,5S)-5-(6-Amino-purin-9-yl)-4-fluoro-3-fluoromethyl-cyclopent-3-ene-1,2-diol; (1S,2R,5S)-5-(6-aminopurin-9-yl)-4-fluoro-3-(fluoromethyl)cyclopent-3-ene-1,2-diol
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|
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| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
1-beta-d-Arabinofuranosyl-1H-imidazo[4,5-c]pyridin-4-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2093950; SCHEMBL11124342; BDBM50404737; ZINC12504404; (2R,3S,4S,5R)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
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|
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| Activity |
IC50 = 100000 nM
|
[12] | |||
| Compound Name |
2-[5-Chloro-2-(4-chlorophenoxy)-N-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]anilino]-N-(2-pyrrolidin-1-ylethyl)acetamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3322543; BDBM50050881
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|
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| Activity |
IC50 ~ 100000 nM
|
[13] | |||
| Compound Name |
(1S,2R,5R)-3-(Hydroxymethyl)-5-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopent-3-ene-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3580894; BDBM50096908
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|
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| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
3-(4-Amino-pyrrolo[2,3-d]pyrimidin-7-yl)-cyclopentane-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL160308; BDBM50281614
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|
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| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
(1S,2R,5S)-5-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3580896; BDBM50096910
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|
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| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
(1S,2R,5S)-4-Fluoro-3-(hydroxymethyl)-5-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopent-3-ene-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3580897; BDBM50096911
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|
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| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
(3R,4S,5S)-2-(6-Aminopurin-9-yl)-5-[(2R)-thiiran-2-yl]oxolane-3,4-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL610588; BDBM50370434
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|
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| Activity |
Ki = 105000 nM
|
[1] | |||
| Compound Name |
(3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-[(E)-4-iodobut-1-en-3-ynyl]oxolane-3,4-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL611106; BDBM50370519
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|
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| Activity |
Ki = 118500 nM
|
[15] | |||
| Compound Name |
(1R,2S,3R,5S)-3-(6-Aminopurin-9-yl)-5-azidocyclopentane-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL406942; BDBM50376497; (1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-azido-cyclopentane-1,2-diol; 3alpha-(6-Amino-9H-purine-9-yl)-5alpha-azidocyclopentane-1beta,2beta-diol; (-)-1,2-Cyclopentanediol, 3-(6-amino-9H-purin-9-yl)-5-azido-, (1R,2S,3R,5S)-
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| Activity |
IC50 = 123000 nM
|
[8] | |||
| Compound Name |
3alpha-(6-Amino-9H-purine-9-yl)-5beta-azidocyclopentane-1beta,2beta-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL258722; BDBM50376494
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| Activity |
IC50 = 163000 nM
|
[8] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 11 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Guanosine
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|
Phase 1 | Compound Info | ||
| Activity |
Ki = 1472000 nM
|
[16] | |||
| Compound Name |
2-Amino-4-[3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]-1H-pyrimidin-6-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL611829; BDBM50366813
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| Activity |
Ki = 217000 nM
|
[16] | |||
| Compound Name |
(2R,4As,5R,6S,8aS)-5-((2-chloro-5-methoxy-3,6-dioxocyclohexa-1,4-dienyl)methyl)-5,6,8a-trimethyl-1-methylenedecahydronaphthalen-2-yl 6-(tert-butoxycarbonylamino)hexanoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1097885; BDBM50316224
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| Activity |
IC50 > 250000 nM
|
[17] | |||
| Compound Name |
4-[3-[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]-1H-pyrimidin-6-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL608286; BDBM50366812
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|
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| Activity |
Ki = 422000 nM
|
[16] | |||
| Compound Name |
3alpha-(6-Amino-9H-purine-9-yl)-5beta-aminocyclopentane-1beta,2beta-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL445416; BDBM50376493
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| Activity |
IC50 > 500000 nM
|
[8] | |||
| Compound Name |
(2,2-Dichlorocyclopropyl) 2-[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL610573; BDBM50370429
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| Activity |
Ki = 750000 nM
|
[6] | |||
| Compound Name |
Inosine
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|
Investigative | Compound Info | ||
| Synonyms |
Hypoxanthosine; Ribonosine; Atorel; Oxiamin; Trophicardyl; Selfer; Pantholic-L; Panholic-L; Hypoxanthine riboside; beta-Inosine; Hypoxanthine D-riboside; Hypoxanthine ribonucleoside; (-)-Inosine; 9-beta-D-Ribofuranosylhypoxanthine; Hypoxanthine nucleoside; INO 495; Inosina; Inosinum; Inosie; iso-prinosine; Inosine [INN:JAN]; Inosinum [INN-Latin]; Inosina [INN-Spanish]; hypoxanthine-ribose; Hypoxanthine-9-beta-D-ribofuranoside; NSC 20262; Hypoxanthine, 9-beta-D-ribofuranosyl-; Inosin; AI3-52241; MFCD00066770; beta-D-Ribofuranoside, hypoxanthine-9; UNII-5A614L51CT; Hypoxanthine 9-beta-D-ribofuranoside; 9-beta-D-ribofuranosyl-9H-purin-6-ol; MLS000028518; 5A614L51CT; 9.beta.-D-Ribofuranosylhypoxanthine; Inosine, 99%; C10H12N4O5; SMR000058316; DSSTox_CID_25993; DSSTox_RID_81278; DSSTox_GSID_45993; 1,9-Dihydro-9-beta-D-ribofuranosyl-6H-purin-6-one; .beta.-Inosine; SR-01000721862; EINECS 200-390-4; Catacol; NSC20262; 9-.beta.-D-Ribofuranosylhypoxanthine; NSC-20262; 3h-inosine; D-Inosine; .beta.-D-Ribofuranoside, hypoxanthine-9; NCGC00095787-01; Hypoxanthine, 9-.beta.-D-ribofuranosyl-; Inosine,(S); Inotin (TN); Inosine-15N4; Inosine (JAN/INN); PubChem14189; Inosine (8CI,9CI); Opera_ID_1628; bmse000098; bmse000888; bmse000978; cid_6021; CHEMBL1556; SCHEMBL15804; KBioGR_002560; KBioSS_002569; KSC269S6L; ARONIS24558; GTPL4554; 9-b-D-Ribofuranosylhypoxanthine; Hypoxanthine-9-D-ribofuranoside; Inosine, >=99% (HPLC); DTXSID2045993; 9beta-D-Ribofuranosylhypoxanthine; BDBM22104; CTK1G9965; KBio2_002560; KBio2_005128; KBio2_007696; KBio3_003038; 9-b-D-ribofuranosyl-Hypoxanthine; cMAP_000084; HMS2235I17; Hypoxanthine-9-delta-ribofuranoside; 9-beta-D-ribofuranosyl-Hypoxanthine; HY-N0092; ZINC8855117; 9beta-delta-Ribofuranosylhypoxanthine; Tox21_111522; ANW-33000; BDBM50366815; beta-D-Ribofuranoside hypoxanthine-9; hypoxanthine-9 beta-D-Ribofuranoside; s2442; 9-beta-delta-Ribofuranosylhypoxanthine; AKOS015969695; AKOS015995607; AKOS024462561; Tox21_111522_1; 9-beta-delta-ribofuranosyl-Hypoxanthine; AM83935; CCG-267127; CS-5845; DB04335; MCULE-3095132846; beta-delta-Ribofuranoside hypoxanthine-9; Hypoxanthine 9-beta-delta-ribofuranoside; hypoxanthine-9 beta-delta-Ribofuranoside; Hypoxanthine-9-beta-delta-ribofuranoside; SMP1_000165; NCGC00095787-05; NCGC00096119-02; NCGC00096119-03; AS-11754; 9-(beta-D-ribofuranosyl)-9H-purin-6-ol; AB0066076; DB-029916; I0037; A-8687; C00294; D00054; J10406; 1,9-dihydro-9-b-D-ribofuranosyl-6H-Purin-6-one; Q422564; SR-01000721862-2; SR-01000721862-3; AC89F8E4-FD89-45EE-8B41-94DFC07AB42F; BRD-K79612754-001-21-7
Click to Show/Hide
|
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| Activity |
Ki = 925000 nM
|
[16] | |||
| Compound Name |
5-(6-Aminopurin-9-yl)-4-iodocyclopent-3-ene-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1672013; BDBM50336552
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|
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| Activity |
IC50 > 1000000 nM
|
[2] | |||
| Compound Name |
5-(6-Aminopurin-9-yl)-4-iodo-3-hydroxymethylcyclopent-3-ene-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1672010; 5''-Iodoneplanocin A; BDBM50336549
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| Activity |
IC50 > 1000000 nM
|
[2] | |||
| Compound Name |
5-(6-Aminopurin-9-yl)-4-bromocyclopent-3-ene-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1672012; BDBM50336551
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|
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| Activity |
IC50 > 1000000 nM
|
[2] | |||
| Compound Name |
5-(6-Aminopurin-9-yl)-4-chlorocyclopent-3-ene-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1672011; SCHEMBL9214583; BDBM50336550
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|
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| Activity |
IC50 > 1000000 nM
|
[2] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Inactivation of human S-adenosylhomocysteine hydrolase by covalent labeling of cysteine 195 with thionucleoside derivatives. Bioorg Med Chem Lett. 2004 Dec 6;14(23):5803-7. | ||||
| REF 2 | X-ray crystal structure and binding mode analysis of human S-adenosylhomocysteine hydrolase complexed with novel mechanism-based inhibitors, haloneplanocin A analogues. J Med Chem. 2011 Feb 24;54(4):930-8. | ||||
| REF 3 | Synthesis of 2-modified aristeromycins and their analogs as potent inhibitors against Plasmodium falciparum S-adenosyl-L-homocysteine hydrolase. Bioorg Med Chem. 2008 Apr 1;16(7):3809-15. | ||||
| REF 4 | Inactivation of S-adenosyl-L-homocysteine hydrolase with novel 5'-thioadenosine derivatives. Antiviral effects. Bioorg Med Chem Lett. 2003 May 19;13(10):1649-52. | ||||
| REF 5 | 4'-modified analogues of aristeromycin and neplanocin A: synthesis and inhibitory activity toward S-adenosyl-L-homocysteine hydrolase. J Med Chem. 1992 May 15;35(10):1782-91. | ||||
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