TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T05090	Histone deacetylase 3	D0Y3KG	Valproate	Approved	3121	C8H16O2	144.21	CCCC(CCC)C(=O)O	IC50 = 161000 nM	Poor binder
T05090	Histone deacetylase 3	D0W9NH	Tacedinaline	Discontinued in Phase 2	2746	C15H15N3O2	269.3	CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N	IC50 ~ 100000 nM	Poor binder
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	B0LZI8	N-Hydroxy-E-3-(4''-methoxybiphenyl-4-yl)-acrylamide	Investigative	15986509	C16H15NO3	269.29	COC1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)NO	IC50 = 84500 nM	Poor binder
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	B24FWP	4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-[3-(sulfamoylamino)propyl]benzamide	Investigative	134153768	C23H22F4N6O4S2	586.6	CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NCCCNS(=O)(=O)N)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C	IC50 ~ 100000 nM	Poor binder
T05090	Histone deacetylase 3	B2UMF4	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	Investigative	137648171	C31H27ClN4O5S	603.1	C1COC2(C3=C(C=CC(=C3)Cl)N(C2=O)CC(=O)NCC4=CC=C(C=C4)C(=O)NC5=C(C=CC(=C5)C6=CC=CS6)N)OC1	IC50 = 151800 nM	Poor binder
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	B5H4IM	(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	Investigative	25207860	C31H46N2O3	494.7	C[C@H](CCCCC(=O)NC1=CC=CC=C1N)[C@H]2CC[C@@H]\\3[C@@]2(CCC/C3=C\\C=C4C[C@H](C[C@@H](C4)O)O)C	IC50 = 104000 nM	Poor binder
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	B6GT3E	4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-[6-(sulfamoylamino)hexyl]benzamide	Investigative	134135812	C26H28F4N6O4S2	628.7	CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NCCCCCCNS(=O)(=O)N)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C	IC50 ~ 100000 nM	Poor binder
T05090	Histone deacetylase 3	B6I1JR	Schembl21996151	Investigative	134141877	C31H23F4N5O3S	621.6	CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)CN3C=CC4=C3C=CC(=C4)/C=C/C(=O)NO)F)C5=CC(=C(C=C5)C#N)C(F)(F)F)C	IC50 ~ 100000 nM	Poor binder
T05090	Histone deacetylase 3	B6K7LT	Benzyl (2S)-4-[5-[(2-amino-5-phenylphenyl)carbamoyl]pyridin-2-yl]-2-methylpiperazine-1-carboxylate	Investigative	16663079	C31H31N5O3	521.6	C[C@H]1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)NC4=C(C=CC(=C4)C5=CC=CC=C5)N	IC50 ~ 50000 nM	Poor binder
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	B85BKY	2-Benzyl-N-hydroxy-N'-phenyloctanediamide	Investigative	44431499	C21H26N2O3	354.4	C1=CC=C(C=C1)CC(CCCCCC(=O)NC2=CC=CC=C2)C(=O)NO	IC50 = 91000 nM	Poor binder
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	B9B8NI	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	Investigative	134157355	C28H23F4N5O4S	601.6	CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NCCCN3C=CC=C(C3=O)O)F)C4=CC(=C(C=C4)C#N)C(F)(F)F)C	IC50 ~ 100000 nM	Poor binder
T05090	Histone deacetylase 3	BA2XF9	N-Hydroxy-3-[1-(3-naphthalen-2-ylpropyl)-5-oxo-2H-pyrrol-4-yl]propanamide	Investigative	11244651	C20H22N2O3	338.4	C1C=C(C(=O)N1CCCC2=CC3=CC=CC=C3C=C2)CCC(=O)NO	IC50 = 80100 nM	Poor binder
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	BC52UT	2-Hexyl-N-hydroxy-N'-phenyloctanediamide	Investigative	134156853	C20H32N2O3	348.5	CCCCCCC(CCCCCC(=O)NC1=CC=CC=C1)C(=O)NO	IC50 = 98000 nM	Poor binder
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	BHB09K	2-(2,2-Dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide	Investigative	58147224	C14H18N2O3	262.3	CC(C)(C)C(=O)N1CC2=C(C1)C=C(C=C2)C(=O)NO	IC50 ~ 50000 nM	Poor binder
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	BI92GZ	Terephthalamide, 28	Investigative	25218561	C28H29FN4O2	472.6	C1CC2(CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)C5=CC=CC=C5F)N)NC1	IC50 ~ 50000 nM	Poor binder
T05090	Histone deacetylase 3	BI97WY	N-Hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide	Investigative	58147302	C17H19N3O3	313.35	CN1C=CC=C1C(=O)N2CCCC3=C(C2)C=CC(=C3)C(=O)NO	IC50 ~ 50000 nM	Poor binder
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	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 = 86400 nM	Poor binder
T05090	Histone deacetylase 3	BKP54S	Chembl4218915	Investigative	145970786	C27H24N2O8S	536.6	COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC3=C(C=C2)N(C=C3)S(=O)(=O)C4=CC=CC(=C4)/C=C/C(=O)NO	IC50 ~ 100000 nM	Poor binder
T05090	Histone deacetylase 3	BL91AR	3-Ethyl-N-hydroxy-N'-phenyloctanediamide	Investigative	54753629	C16H24N2O3	292.37	CCC(CCCCC(=O)NC1=CC=CC=C1)CC(=O)NO	IC50 = 97000 nM	Poor binder
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	BM52VW	2-((S)-2-(2-((S)-2-Amino-3-phenylpropanamido)acetamido)-8-(2-aminophenylamino)-8-oxooctanamido)acetic acid	Investigative	45268021	C27H36N6O6	540.6	C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)N[C@@H](CCCCCC(=O)NC2=CC=CC=C2N)C(=O)NCC(=O)O)N	IC50 = 69300 nM	Poor binder
T05090	Histone deacetylase 3	BMBC18	N-(2-Amino-5-thiophen-2-ylphenyl)-4-[[(2S)-3-(1H-indol-3-yl)-2-[(4-methoxybenzoyl)amino]propanoyl]amino]benzamide	Investigative	137649617	C36H31N5O4S	629.7	COC1=CC=C(C=C1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=CC(=C5)C6=CC=CS6)N	IC50 = 62540 nM	Poor binder
T05090	Histone deacetylase 3	BMH13O	Ethyl 4-((2-amino-5-(thiophen-2-yl)phenyl)carbamoyl)benzylcarbamate	Investigative	25155956	C21H21N3O3S	395.5	CCOC(=O)NCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=CS3)N	IC50 ~ 50000 nM	Poor binder
T05090	Histone deacetylase 3	BN7MF9	Methyl 4-((2-amino-5-(thiophen-2-yl)phenyl)carbamoyl)benzylcarbamate	Investigative	44447194	C20H19N3O3S	381.4	COC(=O)NCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=CS3)N	IC50 ~ 50000 nM	Poor binder
T05090	Histone deacetylase 3	BNJI96	(7R)-N-Hydroxy-7-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide	Investigative	92045024	C20H19N5O2	361.4	C1CC2=C(C[C@@H]1NC3=NC=CC(=N3)C4=CN=CC=C4)C=C(C=C2)C(=O)NO	IC50 ~ 100000 nM	Poor binder
T05090	Histone deacetylase 3	BO5I0U	N-[4-[2-[(4-Methyl-6-oxo-1H-pyrimidin-2-yl)oxy]acetyl]phenyl]acetamide	Investigative	136086924	C15H15N3O4	301.3	CC1=CC(=O)NC(=N1)OCC(=O)C2=CC=C(C=C2)NC(=O)C	IC50 ~ 100000 nM	Poor binder
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	BR6BY4	N-Hydroxy-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]isoindoline-5-carboxamide	Investigative	58147189	C15H15N3O3	285.3	CN1C=CC=C1C(=O)N2CC3=C(C2)C=C(C=C3)C(=O)NO	IC50 ~ 50000 nM	Poor binder
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	BS8PG9	2-(2,2-Dimethylpropanoyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide	Investigative	49855444	C15H20N2O3	276.33	CC(C)(C)C(=O)N1CCC2=C(C1)C=CC(=C2)C(=O)NO	IC50 ~ 50000 nM	Poor binder
T05090	Histone deacetylase 3	BTA14N	(E)-3-[4-[3-(1-Adamantyl)-4-hydroxyphenyl]phenyl]-N-hydroxyprop-2-enamide	Investigative	15986417	C25H27NO3	389.5	C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC=C(C=C5)/C=C/C(=O)NO)O	IC50 = 55600 nM	Poor binder
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	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
T05090	Histone deacetylase 3	BXW10H	Tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-[8-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyloxy]amino]-8-oxooctanoyl]amino] carbonate	Investigative	127041696	C28H48N2O12	604.7	CC(C)(C)OC(=O)N(C(=O)CCCCCCC(=O)N(C(=O)OC(C)(C)C)OC(=O)OC(C)(C)C)OC(=O)OC(C)(C)C	IC50 ~ 100000 nM	Poor binder
T05090	Histone deacetylase 3	BXWV29	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	Investigative	134142119	C31H29F4N5O4S	643.7	CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NCCCCCCN3C=CC=C(C3=O)O)F)C4=CC(=C(C=C4)C#N)C(F)(F)F)C	IC50 ~ 100000 nM	Poor binder
T05090	Histone deacetylase 3	D03QOD	N-hydroxy-2,2-diphenylacetamide	Investigative	239512	C14H13NO2	227.26	C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NO	IC50 ~ 50000 nM	Poor binder
T05090	Histone deacetylase 3	D07YZZ	Octanedioic acid bis-hydroxyamide	Investigative	5173	C8H16N2O4	204.22	C(CCCC(=O)NO)CCC(=O)NO	IC50 = 62600 nM	Poor binder
T05090	Histone deacetylase 3	D0E0TA	N-(4-hydroxybiphenyl-3-yl)benzamide	Investigative	44454650	C19H15NO2	289.3	C1=CC=C(C=C1)C2=CC(=C(C=C2)O)NC(=O)C3=CC=CC=C3	IC50 ~ 50000 nM	Poor binder
T05090	Histone deacetylase 3	D0Q5MC	PCI-34051	Investigative	24753719	C17H16N2O3	296.32	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	IC50 ~ 50000 nM	Poor binder