Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T03687 | Target Info | |||
| Target Name | Histone deacetylase 9 (HDAC9) | ||||
| Synonyms |
MITR; MEF2-interacting transcription repressor MITR; KIAA0744; Histone deacetylase-related protein; Histone deacetylase 7B; HDRP; HDAC7B; HDAC7; HD9; HD7b
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| Target Type | Patented-recorded Target | ||||
| Gene Name | HDAC9 | ||||
| Biochemical Class | Carbon-nitrogen hydrolase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 47 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Romidepsin
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Approved | Compound Info | ||
| Synonyms |
Chromadax; Istodax; Antibiotic FR 901228; FK 228; FK228; FR 901228; FR901228; HDInhib_000006; Chromadax (TN); FK-228; FK-901228; FR-901228; Istodax (TN); Romidepsin (USAN); Cyclo((2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl), cyclic (35)-disulfide; L-Valine, N-((3S,4E)-3-hydroxy-7-mercapto-1-oxo-4-heptenyl)-D-valyl-D-cysteinyl-(2Z)-2-amino-2-butenoxyl-, (4-1)-lactone, cyclic (1-2)-disulfide; (1S,4S,7Z,10S,16E,21R)-7-Ethylidene-4,21-bis(1-methylethyl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo(8.7.6)tricos-16-ene-3,6,9,19,22-pentone; (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone; (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
Vorinostat
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Approved | Compound Info | ||
| Synonyms |
NHNPODA; SAHA; SHH; Zolinza; Merck brand of Vorinostat; OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE; SAHA cpd; Suberanilohydroxamic acid; Suberoylanilide hydroxamic acid; Vorinostat MSD; Vorinostat [USAN]; M344; MK0683; SKI390; WIN64652; MK-0683; SAHA, Suberoylanilide hydroxamic acid; SW-064652; Zolinza (TN); Vorinostat (JAN/USAN); N1-hydroxy-N8-phenyloctanediamide; Zolinza, MK-0683, SAHA; N'-hydroxy-N-phenyloctanediamide; N-Hydroxy-N'-phenyl octanediamide; N-Hyrdroxy-N'-phenyloctanediamide; N-hydroxy-N'-phenyloctanediamide; N-hydroxy-N'-phenyl-octane-1,8-diotic acid diamide; Vorinostat (HDAC inhibitor)
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| Activity |
IC50 = 80030 nM
|
[2] | |||
| Compound Name |
SNDX-275
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Phase 3 | Compound Info | ||
| Synonyms |
Entinostat; Histone Deacetylase Inhibitor I; IN1470; MS 275; SNDX 275; MS 27-275; Ms-275; Entinostat (USAN/INN); MS-27-275; Pyridin-3-ylmethyl 4-(2-aminophenylcarbamoyl)benzylcarbamate; Pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate; Pyridin-3-ylmethyl {4-[(2-aminophenyl)carbamoyl]benzyl}carbamate; Pyridin-3-ylmethyl{4-[(2-aminophenyl)carbamoyl]benzyl}carbamate; Carbamic acid, [[4-[[(2-aminophenyl)amino]carbonyl]phenyl] methyl]-, 3-pyridinylmethyl ester; Carbamic acid, [[4-[[(2-aminophenyl)carbaonyl]phenyl]methyl]-, 3-pyridinylmethyl ester; Entinostat, SNDX-275, MS-27-275, MS-275; N-(2-Aminophenyl)-4-[N-(pyridin-3-yl-methoxycarbonyl)aminomethyl]benzamide; N-(2-aminophenyl)-4-(N-(pyridin-3-ylmethoxycarbonyl)aminomethyl)benzamide; Carbamic acid, ((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)-, 3-pyridinylmethyl ester; 3-Pyridinylmethyl ((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)carbamate
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
N-(2-Aminophenyl)-7,7-di(1H-indol-3-yl)heptanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL564916; ST-3071; SCHEMBL1308188; BDBM50297448
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| Activity |
IC50 = 50000 nM
|
[4] | |||
| Compound Name |
N-[(2S)-3-(1H-Indol-3-yl)-1-oxo-1-[4-(propylaminocarbamoyl)anilino]propan-2-yl]-4-methoxybenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4063938; BDBM50244779
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| Activity |
IC50 ~ 50000 nM
|
[5] | |||
| Compound Name |
Thailandepsin B
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1836145; BDBM50354084
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
5-[[6-Oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentanehydroxamic acid
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Investigative | Compound Info | ||
| Synonyms |
MC1742; CHEMBL3426803; SCHEMBL18495059; BDBM50087845; AKOS027470271; ZINC140782936; MC 1742; MC-1742
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| Activity |
IC50 ~ 50000 nM
|
[6] | |||
| Compound Name |
Thailandepsin A
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1836142; BDBM50354088
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
N-Hydroxy-5-(1-phenylpyrazol-3-yl)pentanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3335288; BDBM50026430
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| Activity |
IC50 = 55800 nM
|
[7] | |||
| Compound Name |
(2R)-2-[(1-Hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3260857; BDBM50014160
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| Activity |
IC50 = 58000 nM
|
[8] | |||
| Compound Name |
Propan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3220923
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| Activity |
IC50 = 61660 nM
|
[2] | |||
| Compound Name |
S-[(E)-4-[(9S,12S)-7,10,14-Trioxo-9-propan-2-yl-11-oxa-18-thia-3,4,5,8,15,20-hexazatricyclo[15.2.1.12,5]henicosa-1(19),2(21),3,17(20)-tetraen-12-yl]but-3-enyl] octanethioate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2323289; BDBM50426495
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| Activity |
IC50 = 63200 nM
|
[9] | |||
| Compound Name |
2-[5-(3-Nitrophenyl)furfuryl]-1,2,3,4-tetrahydroisoquinoline-7-carbohydroximic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3338404; BDBM50027664
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| Activity |
IC50 = 65800 nM
|
[10] | |||
| Compound Name |
N-(4-(2-((4-Hydroxy-6-methylpyrimidin-2-yl)thio)acetyl)phenyl)acetamide
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Investigative | Compound Info | ||
| Synonyms |
BRD2577; CHEMBL1800241; ChemDiv3_001354; Cambridge id 5808806; Oprea1_495990; Oprea1_754394; SCHEMBL13401667; HMS1476N12; BRD-2577; BDBM50348388; STK285471; STK927200; ZINC18155397; AKOS000565395; AKOS005427416; MCULE-5279148589; IDI1_020320; NCGC00180854-01; AB00097823-01; BRD-K91232577-001-01-5; N-(4-{[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetyl}phenyl)acetamide; N-(4-(2-((4-Methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetyl)phenyl)acetamide
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| Activity |
IC50 = 74100 nM
|
[11] | |||
| Compound Name |
N-Hydroxy-2-propylpentanamide
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Investigative | Compound Info | ||
| Synonyms |
Valproic acid hydroxamate; Valpropylhydroxamic Acid; CHEMBL186311; 2-Propylpentanehydroximic acid; SCHEMBL15310210; DTXSID50147530; Pentanamide, N-hydroxy-2-propyl-; VAHA, >=98% (HPLC); ZINC5298743; 2-Propyl-pentanoic acid hydroxyamide; BDBM50336884; AKOS017536923; BCB03_000831; J-001544; BRD-K96146874-001-01-2; Q27216290
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| Activity |
IC50 = 91000 nM
|
[12] | |||
| Compound Name |
2-[(4-Methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(6-phenylhexyl)acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800385; BDBM50348387
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| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
Pimelic Diphenylamide 106
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Investigative | Compound Info | ||
| Synonyms |
TC-H 106; N1-(2-aminophenyl)-N7-(4-methylphenyl)-heptanediamide; N'-(2-aminophenyl)-N-(4-methylphenyl)heptanediamide; RGFA-8;TC-H 106;Histone Deacetylase Inhibitor VII; RGFA-8; SCHEMBL1065609; CHEMBL3940985; DTXSID10581754; EX-A916; TC-H106; BDBM207628; HMS3648I10; BCP16854; US9265734, RGFA8; 1900AH; MFCD17010287; s6738; ZINC34997445; AKOS024458065; CCG-208665; CS-5229; TC-H 106;Pimelic Diphenylamide 106; AK222718; AS-56015; HY-19348; FT-0700415; n1-(2-aminophenyl)-n7-p-tolylheptanediamide; EC-000.2470; Pimelic Diphenylamide 106, >=98% (HPLC); SR-01000946373; SR-01000946373-1; N-(4-Methylphenyl)-N'-(2-aminophenyl)heptanediamide; N1-(2-Aminophenyl)-N7-(4-methylphenyl)heptanediamide; Q27165947; N~1~-(2-Aminophenyl)-N~7~-(4-methylphenyl)heptanediamide
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| Activity |
IC50 ~ 100000 nM
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[13] | |||
| Compound Name |
2-{[2-(4-Tert-butylphenyl)-2-oxoethyl]sulfanyl}-6-methyl-3,4-dihydropyrimidin-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800374; ZINC9143521; BDBM50348375; AKOS034466005; MCULE-3132766776; Z56923981
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
(2E,4E)-5-[4-[3-(1-Adamantyl)-4-methoxyphenyl]phenyl]-N-hydroxypenta-2,4-dienamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3235787; BDBM50005732
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| Activity |
IC50 ~ 100000 nM
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[14] | |||
| Compound Name |
N-[4-[2-(4-Methylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800242; BDBM50348389
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
N-[4-[(4-Methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800248; SCHEMBL17382802; BDBM50348395
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
Propan-2-Yl N-[(2s,4r)-1-Ethanoyl-2-Methyl-6-[4-(Methylaminomethyl)phenyl]-3,4-Dihydro-2h-Quinolin-4-Yl]carbamate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3220926; SCHEMBL11980283; Q27456822
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
N-[4-[2-[(4-Methyl-6-oxo-1H-pyridin-2-yl)oxy]acetyl]phenyl]acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800247; BDBM50348394
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
(E)-N-Hydroxy-3-[4-(trifluoromethyl)phenyl]acrylamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3394285; SCHEMBL12425758; BDBM50140176; (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enehydroxamic acid
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| Activity |
IC50 ~ 100000 nM
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[15] | |||
| Compound Name |
S-[(E)-4-[(9S,12S)-7,10,14-Trioxo-9-propan-2-yl-11-oxa-18-thia-3,4,5,8,15,20,21-heptazatricyclo[15.2.1.12,5]henicosa-1(19),2(21),3,17(20)-tetraen-12-yl]but-3-enyl] octanethioate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2323285; BDBM50426493
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| Activity |
IC50 ~ 100000 nM
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[9] | |||
| Compound Name |
2-[(4-Methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutyl)acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800384; BDBM50348385
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
1-((4-Hydroxy-6-methylpyrimidin-2-yl)thio)propan-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800381; BDBM50348382; STL267143; AKOS008981021; AKOS016354209; MCULE-9373031239; 6-methyl-2-[(2-oxopropyl)sulfanyl]pyrimidin-4(3H)-one; 1-[(4-Oxo-6-methyl-3,4-dihydropyrimidine-2-yl)thio]-2-propanone
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
N-[4-[2-(3-Hydroxyphenyl)sulfanylacetyl]phenyl]acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800245; BDBM50348392
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
N-[4-[1-Hydroxy-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]phenyl]acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800249; BDBM50348396
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
E,E-5-(4''-Methoxybiphenyl-4-yl)-penta-2,4-dienoic acid Nhydroxyamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL538364; BDBM50293369
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| Activity |
IC50 ~ 100000 nM
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[14] | |||
| Compound Name |
2-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800377; SCHEMBL17382809; BDBM50348378
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
2-[(4-Methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
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Investigative | Compound Info | ||
| Synonyms |
MLS000531589; CHEMBL1722433; SMR000136527; 2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-(2-phenylethyl)acetamide; Oprea1_304490; cid_892234; BDBM96613; HMS2466G16; STK116346; ZINC18093765; AKOS000716785; AKOS001049225; MCULE-1856560484; SR-01000264561; SR-01000264561-1; Z56847664; 2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-phenethyl-acetamide; 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide; 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-N-(2-phenylethyl)acetamide
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
2-[2-(4-Hydroxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800376; BDBM50348377
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
N-{4-[2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-acetyl]-phenyl}-acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800244; Oprea1_373990; Oprea1_543124; ZINC841137; BDBM50348391; STK285981; AKOS001628005; MCULE-9514505423; N-(4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}phenyl)acetamide
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
6-Methyl-2-phenacylsulfanyl-1H-pyrimidin-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800250; 2-((4-hydroxy-6-methylpyrimidin-2-yl)thio)-1-phenylethanone; 6-methyl-2-(2-oxo-2-phenylethylthio)-3-hydropyrimidin-4-one; NSC338484; CBKinase1_000908; CBKinase1_013308; Cambridge id 5509606; IFLab1_000456; CTK0H7748; DTXSID70319010; HMS1413E16; ZINC9446020; BDBM50348397; SBB085164; STK830457; STL281533; 6-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydropyrimidin-4-one; AKOS000565987; AKOS001012387; AKOS003626716; MCULE-4095585670; NSC-338484; IDI1_008675; ST50113123; 2-Benzoylmethylmercapto-4-methyl-6-oxypyrimidin; AB00087040-01; SR-01000416787; SR-01000416787-1; BRD-K22643941-001-01-6; Z56767694; F0176-0059; 6-methyl-2-(2-oxo-2-phenylethyl-thio)pyrimidin-4(3h)-one; 6-methyl-2-[(2-oxo-2-phenylethyl)thio]-4(1H)-pyrimidinone; 2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone; 6-METHYL-2-((2-OXO-2-PHENYLETHYL)THIO)-4(3H)-PYRIMIDINONE; 6-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4(3H)-pyrimidinone; 6-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]pyrimidin-4(3H)-one
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
N-Methyl-N-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800251; BDBM50348372
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
2-(Tert-butylcarbonylmethylthio)-4-hydroxy-6-methylpyrimidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800382; Maybridge1_007088; CTK6C4190; HMS561K04; BDBM50348383; SBB099296; ZINC13468269; AKOS008981059; CCG-244729; MCULE-6331991984; 1-(4-hydroxy-6-methylpyrimidin-2-ylthio)-3,3-dimethylbutan-2-one
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
2-(4-Chlorophenacylthio)-4-hydroxy-6-methylpyrimidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800375; 2-[2-(4-chlorophenyl)-2-oxoethylthio]-6-methyl-3-hydropyrimidin-4-one; BAS 00853818; MLS001143876; CTK6G9149; CCG-304; BDBM50348376; SBB085170; STL281529; STL330245; ZINC17750270; AKOS000565394; AKOS001021795; AKOS003625541; MCULE-8980888190; SMR000473315; ST50113505; AE-641/01210025; SR-01000637247-1; 1-(4-Chlorophenyl)-2-((4-hydroxy-6-methylpyrimidin-2-yl)thio)ethan-1-one; 1-(4-chlorophenyl)-2-[(4-hydroxy-6-methylpyrimidin-2-yl)thio]ethanone; 2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-4(3H)-one; 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4(3H)-pyrimidinone; 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-4(1H)-one; 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
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| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
2-[(4-Hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1307946; SMR000104980; CBMicro_000564; Oprea1_387281; Oprea1_513871; MLS000109033; REGID_for_CID_722456; HMS2167C19; HMS3314O04; SMSF0007972; ZINC8632101; BDBM50348374; STK927199; STL281551; AKOS000566015; AKOS002232718; AKOS008969277; CB01814; MCULE-2661039450; BIM-0000433.P001; ST50112774; AB00097791-01; AB00097791-06; SR-01000417195; SR-01000417195-1; 2-[2-(4-methoxyphenyl)-2-oxoethylthio]-6-methyl-3-hydropyrimidin-4-one; 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
Methyl 2-((4-hydroxy-6-methylpyrimidin-2-yl)thio)acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800380; methyl 2-(6-methyl-4-oxo-3-hydropyrimidin-2-ylthio)acetate; BDBM50348381; SBB062603; STK641838; STL281936; ZINC13739146; AKOS002262380; AKOS002308199; AKOS008981057; MCULE-6551097558; 2-Methoxycarbonylmethylenethio-6-methyluracil; ST50186106; methyl [(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetate; methyl [(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate; [(4-Oxo-3,4-dihydro-6-methylpyrimidine-2-yl)thio]acetic acid methyl ester; METHYL ((4-METHYL-6-OXO-1,6-DIHYDRO-2-PYRIMIDINYL)THIO)ACETATE; Methyl [(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetate #
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
1-(3,4-Dihydroxyphenyl)-2-[(4-hydroxy-6-methylpyrimidin-2-YL)thio]ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL209453; CHEMBRDG-BB 6606317; MLS001212148; SMR000518041; 1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-ethanone; 1-(3,4-Dihydroxyphenyl)-2-((4-hydroxy-6-methylpyrimidin-2-yl)thio)ethanone; Cambridge id 6606317; Oprea1_441814; cid_687937; SCHEMBL17382815; BDBM55151; CTK4I6835; DTXSID20350771; KUC104368N; BDBM50477568; MFCD02366437; STK770887; ZINC18163844; 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one; AKOS000563316; AKOS001653377; AKOS008967906; KSC-10-146; MCULE-3270859217; W-9419; 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-6-methyl-1H-pyrimidin-4-one; 2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio}-6-methylpyrimidin-4(3H)-one; 1-(3,4-dihydroxyphenyl)-2-(4-hydroxy-6-methyl-pyrimidin-2-yl)sulfanyl-ethanone; 1-(3,4-Dihydroxyphenyl)-2-[(4-hydroxy-6-methyl-2-pyrimidinyl)thio]ethanone; 2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-6-methyl-1H-pyrimidin-4-one; 2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one; Ethanone, 1-(3,4-dihydroxyphenyl)-2-[(4-hydroxy-6-methyl-2-pyrimidinyl)thio]-
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
N-(2-Aminophenyl)-4-[[[(4R,5S)-4,5-diphenyl-1,3-oxazolidin-2-ylidene]amino]methyl]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3605506; BDBM50113971
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| Activity |
IC50 ~ 100000 nM
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[16] | |||
| Compound Name |
6-[2-[(4-Methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-1,3-dihydroindol-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800378; SCHEMBL17382803; BDBM50348379
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
N-[4-[2-(4-Methoxy-6-methylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800243; BDBM50348390
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
Ethyl 4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-oxobutanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800383; BDBM50348384; AKOS013207288
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
6-Methyl-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3,4-dihydropyrimidin-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800379; ChemDiv3_001859; SCHEMBL13401534; HMS1478E11; BDBM50348380; ZINC18084678; AKOS001038722; AKOS008966863; CCG-107559; MCULE-5001803542; IDI1_020825; Z56864923
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
N-[4-[2-[(4-Methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800373; BDBM50348373
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 5 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Valproate
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Approved | Compound Info | ||
| Synonyms |
99-66-1; Dipropylacetic acid; Depakine; Depakene; 2-Propylvaleric acid; Ergenyl; Di-n-propylacetic acid; Mylproin; Pentanoic acid, 2-propyl-; 4-Heptanecarboxylic acid; Propylvaleric acid; n-Dipropylacetic acid; Myproic Acid; Di-n-propylessigsaure; n-DPA; Dipropylacetate; Convulex; Depakin; Vupral; Acido valproico; Acide valproique; Acidum valproicum; Stavzor; Avugane; Baceca; Kyselina 2-propylvalerova; 2-n-Propyl-n-valeric acid; Acetic acid, dipropyl-; Abbott 44090; Valproinsaeure; Savicol; Convulsofin; Deproic; VPA; Depakin chrono; Dipropyl Acetate; Med Valproic; Valproic acid USP; Valproic acid USP24; Acide valproique [INN-French]; Acido valproico [INN-Spanish]; Acidum valproicum [INN-Latin]; Alti-Valproic; Depakote (TM); Dom-Valproic; G2M-777; Kyselina 2-propylvalerova [Czech]; N-DPA; N-Dipropylacetic acid; Novo-Valproic; Nu-Valproic; PMS-Valproic Acid; Penta-Valproic; Valproic acid (USP); Di-n-propylessigsaeure; Di-n-propylessigsaure [German]; Valproic acid [USAN:INN:BAN]; Valproic Acid, SodiumSalt (2:1); 2 PP (base)
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| Activity |
IC50 > 2000000 nM
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[12] | |||
| Compound Name |
Phenylbutyrate
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Phase 2 | Compound Info | ||
| Synonyms |
Benzenebutyric acid; Phenyl butanoate; Phenyl butyrate; HDInhib_000004; Butanoic acid, phenyl ester; Butyric acid, phenyl ester; FR-2080; Gamma-Phenylbutyric acid; Omega-Phenylbutanoic acid; GAMMA-PHENYL-BUTYRIC ACID; Butyric acid, 4-phenyl-(8CI); 1-Phenylbutyric acid; 4-PHENYL-BUTANOIC ACID; 4-PHENYLBUTYRIC ACID; 4-Phenylbutanoic acid; 4-phenylbutans; 4-phenylbutyrate
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| Activity |
IC50 > 2000000 nM
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[12] | |||
| Compound Name |
4-Phenylbutyrohydroxamic acid
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Investigative | Compound Info | ||
| Synonyms |
N-Hydroxy-4-phenylbutanamide; 32153-46-1; NSC131300; UNII-QX182FOM5S; QX182FOM5S; 4-phenylbutanehydroxamic acid; CHEMBL55895; 4-Phenylbutyrohydroxamic acid; Benzenebutanamide, N-hydroxy-; NSC 131300; AC1Q7DIW; AC1L5RDX; Phenylbutyrylhydroxamic Acid; AC1Q5QD1; N-Hydroxy-4-phenyl-butyramide; 4-Phenylbutyryl hydroxamic acid; SCHEMBL1350853; CTK4G8310; DTXSID60185943; MolPort-011-492-164; UPHXPXYRKPCXHK-UHFFFAOYSA-N; ZINC4962622; STL301752; BDBM50015142; AKOS009266186; MCULE-9765156954; NSC-131300; NE28489; BCB03_000829; EN300-68596
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| Activity |
IC50 = 430000 nM
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[12] | |||
| Compound Name |
Butanoic Acid
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Investigative | Compound Info | ||
| Synonyms |
butyric acid; butanoic acid; n-Butyric acid; 107-92-6; n-Butanoic acid; propylformic acid; ethylacetic acid; 1-propanecarboxylic acid; Butanic acid; butyrate; 1-Butyric acid; Buttersaeure; butanoate; Kyselina maselna; Butyric acid (natural); Propanecarboxylic acid; Buttersaeure [German]; 1-butanoic acid; FEMA Number 2221; Kyselina maselna [Czech]; FEMA No. 2221; CCRIS 6552; HSDB 940; butoic acid; Ethyacetic Acid; 2-butanoate; NSC 8415; UNII-40UIR9Q29H; UN2820; AI3-15306; EINECS 203-532-3; BRN 0906770; CH3-[CH2]2-COOH; 40UIR9Q29H
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| Activity |
IC50 > 2000000 nM
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[12] | |||
| Compound Name |
N-Hydroxybutanamide
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Investigative | Compound Info | ||
| Synonyms |
Butyrylhydroxamic acid; CHEMBL1672332; N-hydroxybutyramide; butyrohydroxamic acid; (n-propyl)hydroxamic acid; SCHEMBL264922; DTXSID10329294; ZINC4809144; BDBM50336883; AKOS000170033; MCULE-8710375368; Butyrylhydroxamic acid, >=98% (HPLC); EN300-72141; Z59181937
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| Activity |
IC50 > 2000000 nM
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[12] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Thailandepsins: bacterial products with potent histone deacetylase inhibitory activities and broad-spectrum antiproliferative activities. J Nat Prod. 2011 Oct 28;74(10):2031-8. | ||||
| REF 2 | The structure based design of dual HDAC/BET inhibitors as novel epigenetic probes. Medchemcomm. 2014;5:342-51. | ||||
| REF 3 | Reduced histone deacetylase 7 activity restores function to misfolded CFTR in cystic fibrosis. Nat Chem Biol. 2010 Jan;6(1):25-33. | ||||
| REF 4 | Exploring bis-(indolyl)methane moiety as an alternative and innovative CAP group in the design of histone deacetylase (HDAC) inhibitors. Bioorg Med Chem Lett. 2009 May 15;19(10):2840-3. | ||||
| REF 5 | Class I HDAC Inhibitors Display Different Antitumor Mechanism in Leukemia and Prostatic Cancer Cells Depending on Their p53 Status. J Med Chem. 2018 Mar 22;61(6):2589-2603. | ||||
| REF 6 | Novel histone deacetylase inhibitors induce growth arrest, apoptosis, and differentiation in sarcoma cancer stem cells. J Med Chem. 2015 May 14;58(9):4073-9. | ||||
| REF 7 | Design, synthesis, and biological evaluation of 1, 3-disubstituted-pyrazole derivatives as new class I and IIb histone deacetylase inhibitors. Eur J Med Chem. 2014 Oct 30;86:639-52. | ||||
| REF 8 | Discovery of 1-hydroxypyridine-2-thiones as selective histone deacetylase inhibitors and their potential application for treating leukemia. Bioorg Med Chem Lett. 2015 Oct 1;25(19):4320-4. | ||||
| REF 9 | Biological evaluation of new largazole analogues: alteration of macrocyclic scaffold with click chemistry. ACS Med Chem Lett. 2012 Dec 5;4(1):132-6. | ||||
| REF 10 | Identification of a novel aminotetralin class of HDAC6 and HDAC8 selective inhibitors. J Med Chem. 2014 Oct 9;57(19):8026-34. | ||||
| REF 11 | A novel HDAC inhibitor with a hydroxy-pyrimidine scaffold. Bioorg Med Chem Lett. 2011 Jul 15;21(14):4164-9. | ||||
| REF 12 | Effect of Inhibiting Histone Deacetylase with Short-Chain Carboxylic Acids and Their Hydroxamic Acid Analogs on Vertebrate Development and Neuronal Chromatin. ACS Med Chem Lett. 2010 Oct 8;2(1):39-42. | ||||
| REF 13 | US patent application no. 9265734B2, Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors | ||||
| REF 14 | Influence of the adamantyl moiety on the activity of biphenylacrylohydroxamic acid-based HDAC inhibitors. Eur J Med Chem. 2014 May 22;79:251-9. | ||||
| REF 15 | Design and synthesis of an activity-based protein profiling probe derived from cinnamic hydroxamic acid. Bioorg Med Chem. 2016 Feb 15;24(4):686-92. | ||||
| REF 16 | Potent and Selective Inhibitors of Histone Deacetylase-3 Containing Chiral Oxazoline Capping Groups and a N-(2-Aminophenyl)-benzamide Binding Unit. J Med Chem. 2015 Sep 10;58(17):6803-18. | ||||
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