TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T03687 Histone deacetylase 9 D0E7PQ Vorinostat Approved 5311 C14H20N2O3 264.32 C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO IC50 = 80030 nM Poor binder T03687 Histone deacetylase 9 D0L7LC Romidepsin Approved 5352062 C24H36N4O6S2 540.7 C/C=C\\1/C(=O)N[C@H](C(=O)O[C@H]\\2CC(=O)N[C@@H](C(=O)N[C@H](CSSCC/C=C2)C(=O)N1)C(C)C)C(C)C IC50 ~ 50000 nM Poor binder T03687 Histone deacetylase 9 D0M8FD SNDX-275 Phase 2 4261 C21H20N4O3 376.4 C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3 IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 B03PZD 2-[(4-Methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(6-phenylhexyl)acetamide Investigative 136025984 C19H25N3O2S 359.5 CC1=CC(=O)NC(=N1)SCC(=O)NCCCCCCC2=CC=CC=C2 IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 B0GAH1 Pimelic Diphenylamide 106 Investigative 16070100 C20H25N3O2 339.4 CC1=CC=C(C=C1)NC(=O)CCCCCC(=O)NC2=CC=CC=C2N IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 B0R4TM 2-{[2-(4-Tert-butylphenyl)-2-oxoethyl]sulfanyl}-6-methyl-3,4-dihydropyrimidin-4-one Investigative 135497781 C17H20N2O2S 316.4 CC1=CC(=O)NC(=N1)SCC(=O)C2=CC=C(C=C2)C(C)(C)C IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 B0VTQ6 N-(2-Aminophenyl)-7,7-di(1H-indol-3-yl)heptanamide Investigative 45271073 C29H30N4O 450.6 C1=CC=C2C(=C1)C(=CN2)C(CCCCCC(=O)NC3=CC=CC=C3N)C4=CNC5=CC=CC=C54 IC50 = 50000 nM Poor binder T03687 Histone deacetylase 9 B13SGM (2E,4E)-5-[4-[3-(1-Adamantyl)-4-methoxyphenyl]phenyl]-N-hydroxypenta-2,4-dienamide Investigative 90654947 C28H31NO3 429.5 COC1=C(C=C(C=C1)C2=CC=C(C=C2)/C=C/C=C/C(=O)NO)C34CC5CC(C3)CC(C5)C4 IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 B1SXO5 N-[4-[2-(4-Methylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide Investigative 56659403 C15H15N3O2S 301.4 CC1=NC(=NC=C1)SCC(=O)C2=CC=C(C=C2)NC(=O)C IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 B1TSK2 N-[(2S)-3-(1H-Indol-3-yl)-1-oxo-1-[4-(propylaminocarbamoyl)anilino]propan-2-yl]-4-methoxybenzamide Investigative 137635119 C29H31N5O4 513.6 CCCNNC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)OC IC50 ~ 50000 nM Poor binder T03687 Histone deacetylase 9 B2VLJ6 N-[4-[(4-Methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]acetamide Investigative 136025842 C14H15N3O2S 289.35 CC1=CC(=O)NC(=N1)SCC2=CC=C(C=C2)NC(=O)C IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 B3TCW8 N-Hydroxy-2-propylpentanamide Investigative 88129 C8H17NO2 159.23 CCCC(CCC)C(=O)NO IC50 = 91000 nM Poor binder T03687 Histone deacetylase 9 B4ZEY0 Thailandepsin B Investigative 56676500 C24H39N3O6S2 529.7 CCCC[C@@H]1C(=O)N[C@@H]2CSSCC/C=C/[C@H](CC(=O)N1)OC(=O)C[C@@H]([C@H](NC2=O)[C@@H](C)CC)O IC50 ~ 50000 nM Poor binder T03687 Histone deacetylase 9 B51YIG Propan-2-Yl N-[(2s,4r)-1-Ethanoyl-2-Methyl-6-[4-(Methylaminomethyl)phenyl]-3,4-Dihydro-2h-Quinolin-4-Yl]carbamate Investigative 52912223 C24H31N3O3 409.5 C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C3=CC=C(C=C3)CNC)NC(=O)OC(C)C IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 B5HIZ3 N-[4-[2-[(4-Methyl-6-oxo-1H-pyridin-2-yl)oxy]acetyl]phenyl]acetamide Investigative 56673261 C16H16N2O4 300.31 CC1=CC(=O)NC(=C1)OCC(=O)C2=CC=C(C=C2)NC(=O)C IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 B6O4DQ (E)-N-Hydroxy-3-[4-(trifluoromethyl)phenyl]acrylamide Investigative 53374826 C10H8F3NO2 231.17 C1=CC(=CC=C1/C=C/C(=O)NO)C(F)(F)F IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 B6VBR2 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 Investigative 71540745 C27H39N7O5S2 605.8 CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCC2=NC(=CS2)C3=NN(CC(=O)N[C@H](C(=O)O1)C(C)C)N=N3 IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 B75BOR N-(4-(2-((4-Hydroxy-6-methylpyrimidin-2-yl)thio)acetyl)phenyl)acetamide Investigative 135446479 C15H15N3O3S 317.4 CC1=CC(=O)NC(=N1)SCC(=O)C2=CC=C(C=C2)NC(=O)C IC50 = 74100 nM Poor binder T03687 Histone deacetylase 9 B76NHE 2-[(4-Methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutyl)acetamide Investigative 136086923 C17H21N3O2S 331.4 CC1=CC(=O)NC(=N1)SCC(=O)NCCCCC2=CC=CC=C2 IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 B7JEZ8 1-((4-Hydroxy-6-methylpyrimidin-2-yl)thio)propan-2-one Investigative 135462117 C8H10N2O2S 198.24 CC1=CC(=O)NC(=N1)SCC(=O)C IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 B81YTQ N-[4-[2-(3-Hydroxyphenyl)sulfanylacetyl]phenyl]acetamide Investigative 56666337 C16H15NO3S 301.4 CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=CC=CC(=C2)O IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 B93MKY N-[4-[1-Hydroxy-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]phenyl]acetamide Investigative 136025843 C15H17N3O3S 319.4 CC1=CC(=O)NC(=N1)SCC(C2=CC=C(C=C2)NC(=O)C)O IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BAL2D3 5-[[6-Oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentanehydroxamic acid Investigative 136173089 C21H21N3O3S 395.5 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=O)NC(=N3)SCCCCC(=O)NO IC50 ~ 50000 nM Poor binder T03687 Histone deacetylase 9 BC05YB E,E-5-(4''-Methoxybiphenyl-4-yl)-penta-2,4-dienoic acid Nhydroxyamide Investigative 42631047 C18H17NO3 295.3 COC1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C=C/C(=O)NO IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BC54SO 2-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one Investigative 136086920 C15H14N2O4S 318.3 CC1=CC(=O)NC(=N1)SCC(=O)C2=CC3=C(C=C2)OCCO3 IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BCF9O6 N-Hydroxy-5-(1-phenylpyrazol-3-yl)pentanamide Investigative 118714371 C14H17N3O2 259.3 C1=CC=C(C=C1)N2C=CC(=N2)CCCCC(=O)NO IC50 = 55800 nM Poor binder T03687 Histone deacetylase 9 BDCZ86 2-[(4-Methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide Investigative 135441620 C15H17N3O2S 303.4 CC1=CC(=O)NC(=N1)SCC(=O)NCCC2=CC=CC=C2 IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BFC08Z 2-[2-(4-Hydroxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one Investigative 135928628 C13H12N2O3S 276.31 CC1=CC(=O)NC(=N1)SCC(=O)C2=CC=C(C=C2)O IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BG09QH N-{4-[2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-acetyl]-phenyl}-acetamide Investigative 1108280 C16H17N3O2S 315.4 CC1=CC(=NC(=N1)SCC(=O)C2=CC=C(C=C2)NC(=O)C)C IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BHGX52 6-Methyl-2-phenacylsulfanyl-1H-pyrimidin-4-one Investigative 135412194 C13H12N2O2S 260.31 CC1=CC(=O)NC(=N1)SCC(=O)C2=CC=CC=C2 IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BI6ZB1 N-Methyl-N-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide Investigative 136025986 C16H17N3O3S 331.4 CC1=CC(=O)NC(=N1)SCC(=O)C2=CC=C(C=C2)N(C)C(=O)C IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BJ1OD3 2-(Tert-butylcarbonylmethylthio)-4-hydroxy-6-methylpyrimidine Investigative 135473106 C11H16N2O2S 240.32 CC1=CC(=O)NC(=N1)SCC(=O)C(C)(C)C IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BJ2Y3N 2-(4-Chlorophenacylthio)-4-hydroxy-6-methylpyrimidine Investigative 135437514 C13H11ClN2O2S 294.76 CC1=CC(=O)NC(=N1)SCC(=O)C2=CC=C(C=C2)Cl IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BL5RX8 2-[5-(3-Nitrophenyl)furfuryl]-1,2,3,4-tetrahydroisoquinoline-7-carbohydroximic acid Investigative 101882265 C21H19N3O5 393.4 C1CN(CC2=C1C=CC(=C2)C(=O)NO)CC3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] IC50 = 65800 nM Poor binder T03687 Histone deacetylase 9 BLBA30 2-[(4-Hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Investigative 135449197 C14H14N2O3S 290.34 CC1=CC(=O)NC(=N1)SCC(=O)C2=CC=C(C=C2)OC IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BO3G4S (2R)-2-[(1-Hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]propanoic acid Investigative 86294741 C9H10N2O4S 242.25 C[C@H](C(=O)O)NC(=O)C1=CC=CC(=S)N1O IC50 = 58000 nM Poor binder T03687 Histone deacetylase 9 BPRY15 Methyl 2-((4-hydroxy-6-methylpyrimidin-2-yl)thio)acetate Investigative 135412048 C8H10N2O3S 214.24 CC1=CC(=O)NC(=N1)SCC(=O)OC IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BRGV98 1-(3,4-Dihydroxyphenyl)-2-[(4-hydroxy-6-methylpyrimidin-2-YL)thio]ethanone Investigative 135444536 C13H12N2O4S 292.31 CC1=CC(=O)NC(=N1)SCC(=O)C2=CC(=C(C=C2)O)O IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BRH7M9 N-(2-Aminophenyl)-4-[[[(4R,5S)-4,5-diphenyl-1,3-oxazolidin-2-ylidene]amino]methyl]benzamide Investigative 136110961 C29H26N4O2 462.5 C1=CC=C(C=C1)[C@@H]2[C@@H](OC(=NCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)N2)C5=CC=CC=C5 IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BVN3K5 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 Investigative 71540743 C28H40N6O5S2 604.8 CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCC2=NC(=CS2)C3=CN(CC(=O)N[C@H](C(=O)O1)C(C)C)N=N3 IC50 = 63200 nM Poor binder T03687 Histone deacetylase 9 BVSP75 6-[2-[(4-Methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-1,3-dihydroindol-2-one Investigative 136086921 C15H13N3O3S 315.3 CC1=CC(=O)NC(=N1)SCC(=O)C2=CC3=C(CC(=O)N3)C=C2 IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BW53QM N-[4-[2-(4-Methoxy-6-methylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide Investigative 56673234 C16H17N3O3S 331.4 CC1=CC(=NC(=N1)SCC(=O)C2=CC=C(C=C2)NC(=O)C)OC IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BX18GK Ethyl 4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-oxobutanoate Investigative 136086922 C11H14N2O4S 270.31 CCOC(=O)CC(=O)CSC1=NC(=CC(=O)N1)C IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BX62ZD 6-Methyl-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3,4-dihydropyrimidin-4-one Investigative 135407493 C11H10N2O2S2 266.3 CC1=CC(=O)NC(=N1)SCC(=O)C2=CC=CS2 IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BX8AF0 N-[4-[2-[(4-Methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]benzamide Investigative 136025837 C20H17N3O3S 379.4 CC1=CC(=O)NC(=N1)SCC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T03687 Histone deacetylase 9 BXK72U Thailandepsin A Investigative 56602459 C23H37N3O6S3 547.8 CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H]\\2CC(=O)N[C@@H](C(=O)N[C@H](CSSCC/C=C2)C(=O)N1)CCSC)O IC50 ~ 50000 nM Poor binder T03687 Histone deacetylase 9 BY0P1V Propan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate Investigative 90667453 C24H36N4O6 476.6 C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)NC(=O)CCCCCCC(=O)NO)NC(=O)OC(C)C IC50 = 61660 nM Poor binder