Target Poor or Non Binder(s) Information
Target General Information | Top | ||||
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Target ID | T51191 | Target Info | |||
Target Name | Histone deacetylase 2 (HDAC2) | ||||
Synonyms |
HD2
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Target Type | Clinical trial Target | ||||
Gene Name | HDAC2 | ||||
Biochemical Class | Carbon-nitrogen hydrolase | ||||
UniProt ID |
Poor Binders of This Target (in total, 92 binders) | Download | Top | |||
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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 = 62000 nM
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[1] | |||
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 = 65000 nM
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[1] | |||
Compound Name |
PMID29671355-Compound-47a
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Patented | Compound Info | ||
Activity |
IC50 ~ 50000 nM
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[2] | |||
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
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[3] | |||
Compound Name |
(1R,2R,3R)-N-Hydroxy-2-(1-methylpyrazol-4-yl)-3-phenylcyclopropane-1-carboxamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3110023; SCHEMBL12499732; BDBM50446477
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Activity |
IC50 ~ 50000 nM
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[4] | |||
Compound Name |
(1R,2R,3R)-N-Hydroxy-2-phenyl-3-quinoxalin-6-ylcyclopropane-1-carboxamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3110001; BDBM50446475
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Activity |
IC50 ~ 50000 nM
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[4] | |||
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
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[5] | |||
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
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[5] | |||
Compound Name |
N-Hydroxy-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide
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Investigative | Compound Info | ||
Synonyms |
MPI-5a; MPI_5a; CHEMBL2431901; SCHEMBL722256; SYN1218; BCP29593; EX-A1852; BDBM50440907; ZINC68248700; DB-092801; HY-113957; CS-0064770; MPI 5a;MPI5a;HDAC6 Inhibitor;Histone Deacetylase 6
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Activity |
IC50 ~ 50000 nM
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[6] | |||
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
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[5] | |||
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
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[5] | |||
Compound Name |
3beta-[1-Oxo-2-(2,2,2-trifluoroethyl)isoindoline-5-yl]-2alpha-phenylcyclopropane-1alpha-carbohydroxamic acid
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3109983; SCHEMBL12499015; BDBM50446473
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Activity |
IC50 ~ 50000 nM
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[4] | |||
Compound Name |
Chembl4283418
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Investigative | Compound Info | ||
Synonyms |
SCHEMBL19899205; BDBM50464528
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Activity |
IC50 = 51000 nM
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[7] | |||
Compound Name |
7-[3-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenoxy]-N-(2-aminophenyl)heptanamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2442695
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Activity |
IC50 = 53520 nM
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[8] | |||
Compound Name |
N-Hydroxy-2-pentyl-N'-phenyloctanediamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3953547; BDBM50212246
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Activity |
IC50 = 58000 nM
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[9] | |||
Compound Name |
Chembl4216233
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Investigative | Compound Info | ||
Synonyms |
BDBM50457066
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Activity |
IC50 = 58000 nM
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[10] | |||
Compound Name |
3-(1-Benzyltriazol-4-yl)-N-hydroxybenzamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2178345; BDBM50399675
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Activity |
IC50 = 65000 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 = 67000 nM
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[12] | |||
Compound Name |
Chembl4206571
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Investigative | Compound Info | ||
Synonyms |
BDBM50457051
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Activity |
IC50 = 69000 nM
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[10] | |||
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 = 69300 nM
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[12] | |||
Compound Name |
Chembl4214401
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Investigative | Compound Info | ||
Synonyms |
BDBM50458429
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Activity |
IC50 = 70400 nM
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[13] | |||
Compound Name |
2-Azidoethyl 8-[4-[(3-azido-5-methoxyphenyl)methoxy]anilino]-8-oxooctanoate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2170173; BDBM50397359
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Activity |
IC50 = 72000 nM
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[14] | |||
Compound Name |
N-Hydroxy-3-[1-(2-phenylethyl)triazol-4-yl]benzamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2178344; NCC-32; BDBM50399674
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Activity |
IC50 = 76000 nM
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[11] | |||
Compound Name |
N-(2-Amino-5-azidophenyl)-4-(3-azidopropanoylamino)benzamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2057829; SCHEMBL16291285; BDBM50387972
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Activity |
IC50 = 77000 nM
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[15] | |||
Compound Name |
[4-(Azidomethyl)phenyl]methyl 8-[4-[(3-azido-5-methoxyphenyl)methoxy]anilino]-8-oxooctanoate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2170174; BDBM50397358
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Activity |
IC50 = 79000 nM
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[14] | |||
Compound Name |
4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-[2-[3-(hydroxyamino)-3-oxopropoxy]ethyl]benzamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3966165; BDBM50199114
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Activity |
IC50 = 86500 nM
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[16] | |||
Compound Name |
(R)-7-((1R,3As,7aR,E)-4-(2-((3R,5R)-3,5-Dihydroxycyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)-N-methyl-2-oxooctanamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL1164244; SCHEMBL8008665; BDBM50320739
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Activity |
IC50 = 90400 nM
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[17] | |||
Compound Name |
(2R)-2-[(1-Hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]-2-phenylacetic acid
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3260858; BDBM50014161
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Activity |
IC50 = 95000 nM
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[18] | |||
Compound Name |
N-((R)-5-((1R,3As,7aR,E)-4-(2-((3R,5R)-3,5-Dihydroxycyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)hexyl)-2-mercaptoacetamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL1164212; SCHEMBL7996769; BDBM50320738
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Activity |
IC50 = 96300 nM
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[17] | |||
Compound Name |
Chembl4218825
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Investigative | Compound Info | ||
Synonyms |
BDBM50457056
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Activity |
IC50 = 99000 nM
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[10] | |||
Compound Name |
(R)-7-(Biphenyl-3-ylamino)-7-oxo-6-(pyridine-3-carbonylamino)heptylboronic acid
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Investigative | Compound Info | ||
Synonyms |
CHEMBL491926; BDBM50250100
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Activity |
IC50 = 99000 nM
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[19] | |||
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
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[12] | |||
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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[12] | |||
Compound Name |
3-(Benzylamino)propionohydroxamic acid monohydrochloride
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Investigative | Compound Info | ||
Synonyms |
CHEMBL4078522; Propanamide, N-hydroxy-3-[(phenylmethyl)amino]-; Propionohydroxamic acid, 3-(benzylamino)-, monohydrochloride; DTXSID60946374; BDBM50457058; 3-(Benzylamino)-N-hydroxypropanimidic acid
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Activity |
IC50 ~ 100000 nM
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[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
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[12] | |||
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
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[16] | |||
Compound Name |
Chembl4218901
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Investigative | Compound Info | ||
Synonyms |
BDBM50458428
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Activity |
IC50 ~ 100000 nM
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[13] | |||
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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[12] | |||
Compound Name |
Chembl4214404
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Investigative | Compound Info | ||
Synonyms |
BDBM50457060
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Activity |
IC50 ~ 100000 nM
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[10] | |||
Compound Name |
(R)-7-(Biphenyl-3-ylamino)-7-oxo-6-(thiazole-5-carbonylamino)heptylboronic acid
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Investigative | Compound Info | ||
Synonyms |
CHEMBL492174; BDBM50250151
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Activity |
IC50 ~ 100000 nM
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[19] | |||
Compound Name |
Chembl4210091
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Investigative | Compound Info | ||
Synonyms |
BDBM50458433
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Activity |
IC50 ~ 100000 nM
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[13] | |||
Compound Name |
6-(Acetyl-hydroxy-amino)-hexanoic acid phenylamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL138293; TWZ-101; BDBM50138417
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Activity |
IC50 ~ 100000 nM
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[20] | |||
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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[12] | |||
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
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[16] | |||
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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[16] | |||
Compound Name |
Chembl4213891
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Investigative | Compound Info | ||
Synonyms |
BDBM50457061
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Activity |
IC50 ~ 100000 nM
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[10] | |||
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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[12] | |||
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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[12] | |||
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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[12] | |||
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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[12] | |||
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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[16] | |||
Compound Name |
Chembl4204967
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Investigative | Compound Info | ||
Synonyms |
BDBM50457065
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Activity |
IC50 ~ 100000 nM
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[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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[12] | |||
Compound Name |
(R)-6-(Benzenecarbonylamino)-7-(biphenyl-3-ylamino)-7-oxoheptylboronic acid
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Investigative | Compound Info | ||
Synonyms |
CHEMBL492140; BDBM50250098
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Activity |
IC50 ~ 100000 nM
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[19] | |||
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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[12] | |||
Compound Name |
8-(Acetyl-hydroxy-amino)-octanoic acid phenylamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL138626; TWZ-103; BDBM50138418
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Activity |
IC50 ~ 100000 nM
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[20] | |||
Compound Name |
N-Hydroxy-3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]benzamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2178343; NCC-142; BDBM50399673
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[11] | |||
Compound Name |
N-Hydroxy-3-[2-(phenylsulfanylmethyl)-1,3-thiazol-4-yl]benzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL4105617; NCC-170; BDBM50252383
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[21] | |||
Compound Name |
2-[2-(4-Hydroxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL1800376; BDBM50348377
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[12] | |||
Compound Name |
N-Hydroxy-3-[1-(phenylthio)methyl-1H-1,2,3-triazol-4-yl]benzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
NCC-149; CHEMBL2178342; N-hydroxy-3-(1-((phenylthio)methyl)-1H-1,2,3-triazol-4-yl)benzamide; ACMC-20ak41; SCHEMBL17549779; CTK8C5486; DTXSID50693446; BDBM50399672; MFCD21363002; ZINC72316041; Benzamide, N-hydroxy-3-[1-[(phenylthio)methyl]-1H-1,2,3-triazol-4-yl]-; N-oxo-3-[3-(phenylsulfanylmethyl)-1,2-dihydrotriazol-5-yl]benzamide; N-Oxo-3-{1-[(phenylsulfanyl)methyl]-2,3-dihydro-1H-1,2,3-triazol-4-yl}benzamide
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[11] | |||
Compound Name |
Chembl4211116
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
BDBM50458437
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[13] | |||
Compound Name |
N-{4-[2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-acetyl]-phenyl}-acetamide
Click to Show/Hide
|
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
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[12] | |||
Compound Name |
6-Methyl-2-phenacylsulfanyl-1H-pyrimidin-4-one
Click to Show/Hide
|
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
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[12] | |||
Compound Name |
N-Methyl-N-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL1800251; BDBM50348372
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[12] | |||
Compound Name |
2-(Tert-butylcarbonylmethylthio)-4-hydroxy-6-methylpyrimidine
Click to Show/Hide
|
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
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[12] | |||
Compound Name |
Chembl4206647
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
BDBM50458427
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[13] | |||
Compound Name |
Chembl4214502
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
BDBM50458584
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[22] | |||
Compound Name |
2-[(4-Hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone
Click to Show/Hide
|
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
|
||||
Activity |
IC50 ~ 100000 nM
|
[12] | |||
Compound Name |
Chembl4165684
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
BDBM50283687
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[23] | |||
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
|
||||
Activity |
IC50 ~ 100000 nM
|
[24] | |||
Compound Name |
Chembl4209492
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
BDBM50457064
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[10] | |||
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
|
||||
Activity |
IC50 ~ 100000 nM
|
[12] | |||
Compound Name |
Chembl4213975
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
BDBM50458438
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[13] | |||
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
|
||||
Activity |
IC50 ~ 100000 nM
|
[12] | |||
Compound Name |
Chembl4202721
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
BDBM50458439
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[13] | |||
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
|
[12] | |||
Compound Name |
Chembl4208365
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
SCHEMBL19478284; BDBM50457054
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[10] | |||
Compound Name |
Methyl 7-anilino-7-oxoheptyl(hydroxy)carbamate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL138090; TWZ-106; BDBM50138411
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[20] | |||
Compound Name |
Chembl4218293
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
BDBM50457055
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[10] | |||
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
|
||||
Activity |
IC50 ~ 100000 nM
|
[12] | |||
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
|
[12] | |||
Compound Name |
(E)-N-(2-Aminophenyl)-3-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]prop-2-enamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3948452; BDBM50199119
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[16] | |||
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
|
[12] | |||
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
|
[12] | |||
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
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3912767; BDBM50199112
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[16] | |||
Compound Name |
Chembl4206055
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
BDBM50457049
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||||
Activity |
IC50 ~ 100000 nM
|
[10] | |||
Compound Name |
2-(4-Hydroxybenzylidene)-1-benzofuran-3(2H)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
NSC657003; CHEMBL199974; (Z)-2-(4-hydroxybenzylidene)benzofuran-3(2H)-one; (2Z)-2-(4-hydroxybenzylidene)-1-benzofuran-3(2H)-one; SCHEMBL19462962; (2Z)-2-[(4-hydroxyphenyl)methylidene]-1-benzofuran-3-one; BDBM50036880; ZINC12341651; AKOS001694044; NSC-657003; AN-308/15495080; 2-[(Z)-4-Hydroxybenzylidene]benzofuran-3(2H)-one; (2Z)-2-[(4-hydroxyphenyl)methylene]benzofuran-3-one
Click to Show/Hide
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||||
Activity |
IC50 = 100500 nM
|
[25] | |||
Compound Name |
2-[5-(3-Nitrophenyl)furfuryl]-1,2,3,4-tetrahydroisoquinoline-7-carbohydroximic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3338404; BDBM50027664
Click to Show/Hide
|
||||
Activity |
IC50 = 109000 nM
|
[24] | |||
Compound Name |
2-Benzyl-N-hydroxy-N'-phenyloctanediamide
Click to Show/Hide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL435160; BDBM50212245
Click to Show/Hide
|
||||
Activity |
IC50 = 110000 nM
|
[9] | |||
Compound Name |
2-Hexyl-N-hydroxy-N'-phenyloctanediamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3982264; BDBM50212243
Click to Show/Hide
|
||||
Activity |
IC50 = 180000 nM
|
[9] | |||
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
|
||||
Activity |
IC50 = 189000 nM
|
[17] | |||
Compound Name |
N-(4-Amino-3''-nitrobiphenyl-3-yl)benzamide
Click to Show/Hide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL1097744; BDBM50317994
Click to Show/Hide
|
||||
Activity |
IC50 = 200000 nM
|
[26] | |||
Click to Show/Hide the Information of All Poor Binders |
Non Binders of This Target (in total, 4 non binders) | Download | Top | |||
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Compound Name |
(2R)-2-[(1-Hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]propanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3260857; BDBM50014160
Click to Show/Hide
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||||
Activity |
IC50 = 400000 nM
|
[18] | |||
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 = 580000 nM
|
[9] | |||
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
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||||
Activity |
IC50 = 680000 nM
|
[1] | |||
Compound Name |
1-Hydroxy-6-sulfanylidene-1,6-dihydropyridine-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
1-Hydroxy-6-thioxo-1,6-dihydropyridine-2-carboxylic acid; CHEMBL3617543; 2-Pyridinecarboxylic acid, 1,6-dihydro-1-hydroxy-6-thioxo; 1-hydroxy-6-sulfanylidenepyridine-2-carboxylic acid; SCHEMBL2787843; SCHEMBL13024190; BDBM50119287; MFCD20646150; AKOS030627735; ZINC145002146; AS-71624; SC-97473; 2-Pyridinecarboxylic acid, 1,6-dihydro-1-hydroxy-6; Z2070538118
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||||
Activity |
IC50 = 710000 nM
|
[18] |
References | Top | ||||
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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 | Potent, Selective, and CNS-Penetrant Tetrasubstituted Cyclopropane Class IIa Histone Deacetylase (HDAC) Inhibitors. ACS Med Chem Lett. 2015 Dec 10;7(1):34-9. | ||||
REF 3 | Class I HDAC Inhibitors: Potential New Epigenetic Therapeutics for Alcohol Use Disorder (AUD). J Med Chem. 2018 Mar 8;61(5):1745-1766. | ||||
REF 4 | 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 5 | 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 6 | Histone deacetylase inhibitors derived from 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine and related heterocycles selective for the HDAC6 isoform. Bioorg Med Chem Lett. 2014 Dec 1;24(23):5450-4. | ||||
REF 7 | The structural requirements of histone deacetylase inhibitors: C4-modified SAHA analogs display dual HDAC6/HDAC8 selectivity. Eur J Med Chem. 2018 Jan 1;143:1790-1806. | ||||
REF 8 | The discovery and optimization of novel dual inhibitors of topoisomerase II and histone deacetylase. Bioorg Med Chem. 2013 Nov 15;21(22):6981-95. | ||||
REF 9 | 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 10 | Design, Synthesis, and Biological Evaluation of Tetrahydroisoquinoline-Based Histone Deacetylase 8 Selective Inhibitors. ACS Med Chem Lett. 2017 Aug 1;8(8):824-829. | ||||
REF 11 | Rapid discovery of highly potent and selective inhibitors of histone deacetylase 8 using click chemistry to generate candidate libraries. J Med Chem. 2012 Nov 26;55(22):9562-75. | ||||
REF 12 | A novel HDAC inhibitor with a hydroxy-pyrimidine scaffold. Bioorg Med Chem Lett. 2011 Jul 15;21(14):4164-9. | ||||
REF 13 | Discovery of meta-sulfamoyl N-hydroxybenzamides as HDAC8 selective inhibitors. Eur J Med Chem. 2018 Apr 25;150:282-291. | ||||
REF 14 | Novel histone deacetylase 8 ligands without a zinc chelating group: exploring an 'upside-down' binding pose. Bioorg Med Chem Lett. 2012 Nov 1;22(21):6621-7. | ||||
REF 15 | Design, synthesis, modeling, biological evaluation and photoaffinity labeling studies of novel series of photoreactive benzamide probes for histone deacetylase 2. Bioorg Med Chem Lett. 2012 Aug 1;22(15):5025-30. | ||||
REF 16 | 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 17 | Vitamin D receptor agonist/histone deacetylase inhibitor molecular hybrids. Bioorg Med Chem. 2010 Jun 1;18(11):4119-37. | ||||
REF 18 | 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 19 | Design, synthesis, and biological activity of boronic acid-based histone deacetylase inhibitors. J Med Chem. 2009 May 14;52(9):2909-22. | ||||
REF 20 | Design, synthesis, and activity of HDAC inhibitors with a N-formyl hydroxylamine head group. Bioorg Med Chem Lett. 2004 Jan 19;14(2):449-53. | ||||
REF 21 | Synthesis and applications of benzohydroxamic acid-based histone deacetylase inhibitors. Eur J Med Chem. 2017 Jul 28;135:174-195. | ||||
REF 22 | 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 23 | Discovery of a fluorescent probe with HDAC6 selective inhibition. Eur J Med Chem. 2017 Dec 1;141:596-602. | ||||
REF 24 | Identification of a novel aminotetralin class of HDAC6 and HDAC8 selective inhibitors. J Med Chem. 2014 Oct 9;57(19):8026-34. | ||||
REF 25 | Aurones as histone deacetylase inhibitors: identification of key features. Bioorg Med Chem Lett. 2014 Dec 1;24(23):5497-501. | ||||
REF 26 | Exploration of the HDAC2 foot pocket: Synthesis and SAR of substituted N-(2-aminophenyl)benzamides. Bioorg Med Chem Lett. 2010 May 15;20(10):3142-5. |
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