Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T05090 | Target Info | |||
| Target Name | Histone deacetylase 3 (HDAC3) | ||||
| Synonyms |
SMAP45; RPD32; RPD3-2; HD3
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| Target Type | Clinical trial Target | ||||
| Gene Name | HDAC3 | ||||
| Biochemical Class | Carbon-nitrogen hydrolase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 59 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 = 161000 nM
|
[1] | |||
| Compound Name |
Tacedinaline
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Discontinued in Phase 2 | Compound Info | ||
| Synonyms |
Acetyldinaline; Tacedinalina; Goe 5549; PD 123654; Ci-994; Goe-5549; PD-123654; Tacedinalina [INN-Spanish]; Tacedinaline [USAN:INN]; C.I. 994; Tacedinaline (USAN/INN); 4-(Acetylamino)-N-(2-aminophenyl)benzamide; 4-acetamido-N-(2-aminophenyl)benzamide; 4-acetamido-n-(2-aminophenyl)benzamid; 4-acetylamino-N-(2'-aminophenyl)benzamide
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N-hydroxy-2,2-diphenylacetamide
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Investigative | Compound Info | ||
| Synonyms |
Diphenylacetohydroxamic acid; 4099-51-8; N-Hydroxy diphenylacetamide; CHEMBL396097; NSC44620; benzeneacetamide, n-hydroxy-; A-phenyl-; N-Hydroxydiphenylacetamide; BENZENEACETAMIDE,N-HYDROXY-A-PHENYL-; AC1Q5QC3; SCHEMBL2839032; CTK8I6435; DTXSID10286297; AC1L6390; ZINC4522248; NSC-44620; BDBM50207561; MFCD16314231; AKOS022308585; Diphenylacetohydroxamic acid, >
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
N-(4-hydroxybiphenyl-3-yl)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL269935; N-(4-hydroxybiphenyl-3-yl)benzamide; SCHEMBL5724398; BDBM50232005
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
PCI-34051
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Investigative | Compound Info | ||
| Synonyms |
PCI-34259; PCI-34260; PCI-40505; PCI-43744; PCI-45159; PCI-47634; PCI-48000; PCI-48001; PCI-48002; PCI-48003; PCI-48004; PCI-48006; PCI-48007; PCI-48008; PCI-48009; PCI-48010; PCI-48011; PCI-48012; PCI-48013; PCI-48018; PCI-48036; PCI-48039; HDAC 8 inhibitors (cancer/inflammation); HDAC 8 inhibitors (cancer/inflammation), Pharmacyclics
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| Activity |
IC50 ~ 50000 nM
|
[5] | |||
| Compound Name |
Octanedioic acid bis-hydroxyamide
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Investigative | Compound Info | ||
| Synonyms |
Suberohydroxamic acid
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| Activity |
IC50 = 62600 nM
|
[2] | |||
| Compound Name |
Benzyl (2S)-4-[5-[(2-amino-5-phenylphenyl)carbamoyl]pyridin-2-yl]-2-methylpiperazine-1-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL437029; SCHEMBL4534462; BDBM50374011
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| Activity |
IC50 ~ 50000 nM
|
[6] | |||
| Compound Name |
2-(2,2-Dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431907; SCHEMBL1262950; BDBM50440909
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| Activity |
IC50 ~ 50000 nM
|
[7] | |||
| Compound Name |
Terephthalamide, 28
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL475302; BDBM27780; N-[2-amino-5-(2-fluorophenyl)phenyl]-4-{1,8-diazaspiro[4.5]decan-8-ylcarbonyl}benzamide
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| Activity |
IC50 ~ 50000 nM
|
[8] | |||
| Compound Name |
N-Hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431912; SCHEMBL1264164; BDBM50440908
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| Activity |
IC50 ~ 50000 nM
|
[7] | |||
| Compound Name |
Ethyl 4-((2-amino-5-(thiophen-2-yl)phenyl)carbamoyl)benzylcarbamate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL399494; SCHEMBL8101991; BDBM50229197; ethyl N-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]carbamate
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| Activity |
IC50 ~ 50000 nM
|
[9] | |||
| Compound Name |
Methyl 4-((2-amino-5-(thiophen-2-yl)phenyl)carbamoyl)benzylcarbamate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL400721; SCHEMBL4323563; BDBM50229193; ZINC29039255; AKOS016360308; DA-16374; FT-0749974; methyl N-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]carbamate
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| Activity |
IC50 ~ 50000 nM
|
[9] | |||
| Compound Name |
N-Hydroxy-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]isoindoline-5-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431906; SCHEMBL1263733; BDBM50440910; N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3-dihydroisoindole-5-carboxamide
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| Activity |
IC50 ~ 50000 nM
|
[7] | |||
| Compound Name |
2-(2,2-Dimethylpropanoyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431902; SCHEMBL1263305; BDBM50440911
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| Activity |
IC50 ~ 50000 nM
|
[7] | |||
| Compound Name |
(E)-3-[4-[3-(1-Adamantyl)-4-hydroxyphenyl]phenyl]-N-hydroxyprop-2-enamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3235463; SCHEMBL3295457; SCHEMBL3295460; BDBM50005744; E-3-[3'-(1-adamantyl)-4'-hydroxy-biphenyl-4-yl]-N-hydroxy-acrylamide
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| Activity |
IC50 = 55600 nM
|
[10] | |||
| Compound Name |
N-(2-Amino-5-thiophen-2-ylphenyl)-4-[[(2S)-3-(1H-indol-3-yl)-2-[(4-methoxybenzoyl)amino]propanoyl]amino]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4078716; BDBM50242049
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| Activity |
IC50 = 62540 nM
|
[11] | |||
| Compound Name |
2-((S)-2-(2-((S)-2-Amino-3-phenylpropanamido)acetamido)-8-(2-aminophenylamino)-8-oxooctanamido)acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL561909; BDBM50294535
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| Activity |
IC50 = 69300 nM
|
[12] | |||
| Compound Name |
N-Hydroxy-3-[1-(3-naphthalen-2-ylpropyl)-5-oxo-2H-pyrrol-4-yl]propanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1668018; SCHEMBL2565365; BDBM50336342; N-hydroxy-3-(1-(3-(naphthalen-2-yl)propyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl)propanamide
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| Activity |
IC50 = 80100 nM
|
[13] | |||
| Compound Name |
N-Hydroxy-E-3-(4''-methoxybiphenyl-4-yl)-acrylamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL561209; SCHEMBL3292536; SCHEMBL3292542; BDBM50293361; (E)-N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]prop-2-enamide
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| Activity |
IC50 = 84500 nM
|
[10] | |||
| 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 = 86400 nM
|
[14] | |||
| Compound Name |
2-Benzyl-N-hydroxy-N'-phenyloctanediamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL435160; BDBM50212245
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| Activity |
IC50 = 91000 nM
|
[15] | |||
| Compound Name |
3-Ethyl-N-hydroxy-N'-phenyloctanediamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1835671; BDBM50355013
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| Activity |
IC50 = 97000 nM
|
[16] | |||
| Compound Name |
2-Hexyl-N-hydroxy-N'-phenyloctanediamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3982264; BDBM50212243
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| Activity |
IC50 = 98000 nM
|
[15] | |||
| 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
|
[14] | |||
| 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
|
[14] | |||
| 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
|
[10] | |||
| 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
|
[14] | |||
| Compound Name |
4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-[3-(sulfamoylamino)propyl]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3974665; BDBM50199124
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| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| 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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[14] | |||
| 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
|
[14] | |||
| Compound Name |
4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-[6-(sulfamoylamino)hexyl]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3903756; BDBM50199123
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| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
Schembl21996151
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3926959; BDBM50199122
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| Activity |
IC50 ~ 100000 nM
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[17] | |||
| 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
|
[14] | |||
| 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
|
[14] | |||
| 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
|
[14] | |||
| 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
|
[14] | |||
| Compound Name |
4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-[3-(3-hydroxy-2-oxopyridin-1-yl)propyl]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3982650; BDBM50199120
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| Activity |
IC50 ~ 100000 nM
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[17] | |||
| 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
|
[10] | |||
| 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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[14] | |||
| 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
|
[14] | |||
| 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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[14] | |||
| 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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[14] | |||
| 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
|
[14] | |||
| 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
|
[14] | |||
| 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
|
[14] | |||
| Compound Name |
Chembl4218915
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Investigative | Compound Info | ||
| Synonyms |
BDBM50458572
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| Activity |
IC50 ~ 100000 nM
|
[18] | |||
| 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
Click to Show/Hide
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||||
| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
(7R)-N-Hydroxy-7-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3338418; BDBM50027662
Click to Show/Hide
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||||
| Activity |
IC50 ~ 100000 nM
|
[19] | |||
| Compound Name |
N-[4-[2-[(4-Methyl-6-oxo-1H-pyrimidin-2-yl)oxy]acetyl]phenyl]acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800246; BDBM50348393
Click to Show/Hide
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||||
| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
Methyl 2-((4-hydroxy-6-methylpyrimidin-2-yl)thio)acetate
Click to Show/Hide
|
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 #
Click to Show/Hide
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||||
| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
1-(3,4-Dihydroxyphenyl)-2-[(4-hydroxy-6-methylpyrimidin-2-YL)thio]ethanone
Click to Show/Hide
|
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]-
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
6-[2-[(4-Methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-1,3-dihydroindol-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800378; SCHEMBL17382803; BDBM50348379
Click to Show/Hide
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||||
| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
N-[4-[2-(4-Methoxy-6-methylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800243; BDBM50348390
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
6-Methyl-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3,4-dihydropyrimidin-4-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800379; ChemDiv3_001859; SCHEMBL13401534; HMS1478E11; BDBM50348380; ZINC18084678; AKOS001038722; AKOS008966863; CCG-107559; MCULE-5001803542; IDI1_020825; Z56864923
Click to Show/Hide
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||||
| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
N-[4-[2-[(4-Methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]benzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800373; BDBM50348373
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
Tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-[8-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyloxy]amino]-8-oxooctanoyl]amino] carbonate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3739529; BDBM50499957
Click to Show/Hide
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||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-[6-(3-hydroxy-2-oxopyridin-1-yl)hexyl]benzamide
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3912767; BDBM50199112
Click to Show/Hide
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||||
| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
(R)-N-(2-Aminophenyl)-6-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-dihydroxycyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)heptanamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1165293; SCHEMBL7996757; BDBM50320737
Click to Show/Hide
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||||
| Activity |
IC50 = 104000 nM
|
[20] | |||
| Compound Name |
N-(2-Amino-5-thiophen-2-ylphenyl)-4-[[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]methyl]benzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4083211; BDBM50252989
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||||
| Activity |
IC50 = 151800 nM
|
[21] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 18 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Phenylbutyrate
Click to Show/Hide
|
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
Click to Show/Hide
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||||
| Activity |
IC50 = 260000 nM
|
[1] | |||
| Compound Name |
N-(2-Aminophenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)nicotinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL499776; SCHEMBL1640681; BDBM50275768; N-(2-aminophenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
Click to Show/Hide
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||||
| Activity |
IC50 = 340000 nM
|
[4] | |||
| Compound Name |
N-Hydroxy-2-propylpentanamide
Click to Show/Hide
|
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
Click to Show/Hide
|
||||
| Activity |
IC50 = 340000 nM
|
[1] | |||
| Compound Name |
(E)-3-[4-[3-(1-Adamantyl)-4-(cyanomethyl)phenyl]-3-chlorophenyl]-N-hydroxyprop-2-enamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3235790; BDBM50005730
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|
||||
| Activity |
IC50 = 340000 nM
|
[10] | |||
| Compound Name |
(R)-N-(2-Aminophenyl)-5-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-dihydroxycyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)hexanamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1165292; SCHEMBL7997195; BDBM50320741
Click to Show/Hide
|
||||
| Activity |
IC50 = 460000 nM
|
[20] | |||
| Compound Name |
(1R,3As,4E,7aR)-4-[2-[(3R,5R)-3,5-dihydroxycyclohexylidene]ethylidene]-7a-methyl-1-[(2R)-6-(sulfamoylamino)hexan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-indene
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1164241; SCHEMBL8006838; BDBM50320747
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||||
| Activity |
IC50 = 470000 nM
|
[20] | |||
| Compound Name |
N-((R)-5-((1R,3As,7aR,E)-4-(2-((3R,5R)-3,5-Dihydroxycyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)hexyl)benzenesulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1165164; SCHEMBL8009057; BDBM50320746
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| Activity |
IC50 = 508000 nM
|
[20] | |||
| Compound Name |
(2S)-2-Hexyl-N-hydroxy-N'-phenyloctanediamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3891027; BDBM50212244
Click to Show/Hide
|
||||
| Activity |
IC50 = 530000 nM
|
[15] | |||
| Compound Name |
(1R,3As,4E,7aR)-4-[2-[(3R,5R)-3,5-dihydroxycyclohexylidene]ethylidene]-7a-methyl-1-[(2R)-7-(sulfamoylamino)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-indene
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1164243; SCHEMBL8006903; BDBM50320748
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||||
| Activity |
IC50 = 605000 nM
|
[20] | |||
| Compound Name |
N-((R)-5-((1R,3As,7aR,E)-4-(2-((3R,5R)-3,5-Dihydroxycyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)hexyl)trifluoromethanesulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1164227; SCHEMBL7996743; BDBM50320744
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||||
| Activity |
IC50 = 695000 nM
|
[20] | |||
| Compound Name |
N-((R)-5-((1R,3As,7aR,E)-4-(2-((3R,5R)-3,5-Dihydroxycyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)hexyl)methanesulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1164226; SCHEMBL8006477; BDBM50320743
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| Activity |
IC50 = 718000 nM
|
[20] | |||
| Compound Name |
N-((R)-5-((1R,3As,7aR,E)-4-(2-((3R,5R)-3,5-Dihydroxycyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)hexyl)butane-1-sulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1165082; SCHEMBL8006554; BDBM50320745
Click to Show/Hide
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||||
| Activity |
IC50 = 725000 nM
|
[20] | |||
| Compound Name |
N-((R)-4-((1R,3As,7aR,E)-4-(2-((3R,5R)-3,5-Dihydroxycyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)pentyl)methanesulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1164225; SCHEMBL8011164; BDBM50320742
Click to Show/Hide
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||||
| Activity |
IC50 = 730000 nM
|
[20] | |||
| Compound Name |
N-(2-Amino-5-(thiophen-2-yl)phenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)nicotinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL513568; SCHEMBL1640711; BDBM50275770; N-(2-amino-5-thiophen-2-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
Click to Show/Hide
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||||
| Activity |
IC50 = 1260000 nM
|
[4] | |||
| Compound Name |
N-(2-Amino-5-(thiophen-3-yl)phenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)nicotinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL511797; SCHEMBL1640685; BDBM50275824; N-(2-amino-5-thiophen-3-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
Click to Show/Hide
|
||||
| Activity |
IC50 = 1270000 nM
|
[4] | |||
| Compound Name |
N-(2-Amino-5-(1-methyl-1H-pyrazol-4-yl)phenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)nicotinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL470156; BDBM50275825
Click to Show/Hide
|
||||
| Activity |
IC50 = 5340000 nM
|
[4] | |||
| Compound Name |
N-(2-Amino-5-(1H-pyrazol-3-yl)phenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)nicotinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL472251; BDBM50275826
Click to Show/Hide
|
||||
| Activity |
IC50 = 5500000 nM
|
[4] | |||
| Compound Name |
N-(2-Amino-5-(1-methyl-1H-imidazol-4-yl)phenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)nicotinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL472252; BDBM50275827
Click to Show/Hide
|
||||
| Activity |
IC50 > 30000000 nM
|
[4] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | 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 2 | Cross metathesis with hydroxamate and benzamide BOC-protected alkenes to access HDAC inhibitors and their biological evaluation highlighted intrinsic activity of BOC-protected dihydroxamates. Bioorg Med Chem Lett. 2016 Jan 1;26(1):154-9. | ||||
| REF 3 | Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease. J Med Chem. 2013 Dec 27;56(24):9934-54. | ||||
| REF 4 | Bioorg Med Chem Lett. 2008 Dec 1;18(23):6104-9. Epub 2008 Oct 14.SAR profiles of spirocyclic nicotinamide derived selective HDAC1/HDAC2 inhibitors (SHI-1:2). | ||||
| REF 5 | Class I HDAC Inhibitors: Potential New Epigenetic Therapeutics for Alcohol Use Disorder (AUD). J Med Chem. 2018 Mar 8;61(5):1745-1766. | ||||
| REF 6 | Exploration of the internal cavity of histone deacetylase (HDAC) with selective HDAC1/HDAC2 inhibitors (SHI-1:2). Bioorg Med Chem Lett. 2008 Feb 1;18(3):973-8. | ||||
| REF 7 | Potent histone deacetylase inhibitors derived from 4-(aminomethyl)-N-hydroxybenzamide with high selectivity for the HDAC6 isoform. J Med Chem. 2013 Sep 26;56(18):7201-11. | ||||
| REF 8 | Parallel medicinal chemistry approaches to selective HDAC1/HDAC2 inhibitor (SHI-1:2) optimization. Bioorg Med Chem Lett. 2009 Feb 15;19(4):1168-72. | ||||
| REF 9 | Optimization of biaryl Selective HDAC1&2 Inhibitors (SHI-1:2). Bioorg Med Chem Lett. 2008 Jan 15;18(2):726-31. | ||||
| REF 10 | 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 11 | Selective HDAC inhibitors with potent oral activity against leukemia and colorectal cancer: Design, structure-activity relationship and anti-tumor activity study. Eur J Med Chem. 2017 Jul 7;134:185-206. | ||||
| REF 12 | Design and synthesis of novel hybrid benzamide-peptide histone deacetylase inhibitors. Bioorg Med Chem Lett. 2009 Jul 15;19(14):3928-31. | ||||
| REF 13 | Structure and property based design, synthesis and biological evaluation of -lactam based HDAC inhibitors. Bioorg Med Chem Lett. 2011 Feb 15;21(4):1218-21. | ||||
| REF 14 | A novel HDAC inhibitor with a hydroxy-pyrimidine scaffold. Bioorg Med Chem Lett. 2011 Jul 15;21(14):4164-9. | ||||
| REF 15 | Structural Requirements of HDAC Inhibitors: SAHA Analogues Modified at the C2 Position Display HDAC6/8 Selectivity. ACS Med Chem Lett. 2017 Feb 7;8(3):281-286. | ||||
| REF 16 | The structural requirements of histone deacetylase inhibitors: Suberoylanilide hydroxamic acid analogs modified at the C3 position display isoform selectivity. Bioorg Med Chem Lett. 2011 Oct 15;21(20):6139-42. | ||||
| REF 17 | Targeting prostate cancer with compounds possessing dual activity as androgen receptor antagonists and HDAC6 inhibitors. Bioorg Med Chem Lett. 2016 Nov 1;26(21):5222-5228. | ||||
| REF 18 | 5-Aroylindoles Act as Selective Histone Deacetylase 6 Inhibitors Ameliorating Alzheimer's Disease Phenotypes. J Med Chem. 2018 Aug 23;61(16):7087-7102. | ||||
| REF 19 | Identification of a novel aminotetralin class of HDAC6 and HDAC8 selective inhibitors. J Med Chem. 2014 Oct 9;57(19):8026-34. | ||||
| REF 20 | Vitamin D receptor agonist/histone deacetylase inhibitor molecular hybrids. Bioorg Med Chem. 2010 Jun 1;18(11):4119-37. | ||||
| REF 21 | Design, synthesis and anti-tumor activity study of novel histone deacetylase inhibitors containing isatin-based caps and o-phenylenediamine-based zinc binding groups. Bioorg Med Chem. 2017 Jun 15;25(12):2981-2994. | ||||
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