TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T14731	NAD-dependent deacetylase sirtuin-1	D0MW0K	US9359293, TM	Patented	71533676	C33H49N3O3S	567.8	CCCCCCCCCCCCCC(=S)NCCCCC(C(=O)NC1=CC=CC=C1)NC(=O)OC2=CC=CC=C2	IC50 > 205000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B01WYF	5-[[3-(Adamantane-1-carbonylamino)phenyl]methoxy]pyridine-3-carboxamide	Investigative	124156756	C24H27N3O3	405.5	C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC(=C4)COC5=CN=CC(=C5)C(=O)N	IC50 > 200000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B0M3EW	6-Methoxy-1-(3-methoxy-prop-1-ynyl)-2-methyl-1,2,3,4-tetrahydro-isoquinolin-7-ol	Investigative	24168039	C15H19NO3	261.32	CN1CCC2=CC(=C(C=C2C1C#CCOC)O)OC	IC50 = 570000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B1E5FG	2-(3-Cyclohexylmethoxyphenylamino)Benzamide	Investigative	60165380	C20H24N2O2	324.4	C1CCC(CC1)COC2=CC=CC(=C2)NC3=CC=CC=C3C(=O)N	IC50 = 210000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B1SOC2	1-(6-Chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(4-nitrophenyl)thiourea	Investigative	11639738	C18H18ClN3O3S	391.9	CC1(CC(C2=C(O1)C=CC(=C2)Cl)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])C	IC50 > 200000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B1UDK6	(2,5-Dimethoxyphenyl)(5-hydroxy-1-benzofuran-3-yl)methanone	Investigative	626866	C17H14O5	298.29	COC1=CC(=C(C=C1)OC)C(=O)C2=COC3=C2C=C(C=C3)O	IC50 > 300000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B38AIV	Surfactin	Investigative	443592	C53H93N7O13	1036.3	CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O	IC50 > 600000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B3VYW7	(5-Hydroxynaphtho[1,2-b]furan-3-yl)(phenyl)methanone	Investigative	787460	C19H12O3	288.3	C1=CC=C(C=C1)C(=O)C2=COC3=C2C=C(C4=CC=CC=C43)O	IC50 > 300000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B4BEN9	4-[(6-Bromo-2-hydroxynaphthalen-1-yl)methyl]-3-(4-methylphenyl)-2H-1,2-oxazol-5-one	Investigative	90654864	C21H16BrNO3	410.3	CC1=CC=C(C=C1)C2=C(C(=O)ON2)CC3=C(C=CC4=C3C=CC(=C4)Br)O	IC50 > 200000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B4NW5T	3-(3,5-Difluorophenyl)-1-benzofuran-4,6-diol	Investigative	54591044	C14H8F2O3	262.21	C1=C(C=C(C=C1F)F)C2=COC3=CC(=CC(=C32)O)O	IC50 = 274000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B58CMK	Chembl4129734	Investigative	145963700	C56H104N18O17S	1333.6	CCCCCCCCNC(=O)CCCSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)N	IC50 > 300000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B5FV1G	N-[4-(Imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide	Investigative	46966768	C18H15N5O4S	397.4	C1=CC(=CC=C1CN2C=CN=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)NC4=O	IC50 = 238000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B5RG1Y	Tert-butyl N-[2,2-dimethyl-4-[(3-nitrophenyl)carbamoylamino]-3,4-dihydrochromen-6-yl]carbamate	Investigative	72664892	C23H28N4O6	456.5	CC1(CC(C2=C(O1)C=CC(=C2)NC(=O)OC(C)(C)C)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C	IC50 > 200000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B5WF3A	Sirt6-IN-5	Investigative	9324490	C19H14N2O6	366.3	C1=COC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)O)C(=O)O	IC50 = 783000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B5Y7QD	N-[(3-Pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide	Investigative	46958766	C13H11N7O	281.27	C1=CC(=CN=C1)C2=NNC(=N2)CNC(=O)C3=NC=CN=C3	IC50 = 1470000000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B5YH4B	2-(3-Benzyloxyphenylamino)Benzamide	Investigative	60165382	C20H18N2O2	318.4	C1=CC=C(C=C1)COC2=CC=CC(=C2)NC3=CC=CC=C3C(=O)N	IC50 > 300000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B7D9QY	Benzyl N-[(2S)-8-amino-1-anilino-1,8-dioxooctan-2-yl]carbamate	Investigative	90665505	C22H27N3O4	397.5	C1=CC=C(C=C1)COC(=O)N[C@@H](CCCCCC(=O)N)C(=O)NC2=CC=CC=C2	IC50 > 1000000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B7LU4D	(4-Bromophenyl)(5-hydroxy-1-benzofuran-3-yl)methanone	Investigative	900927	C15H9BrO3	317.13	C1=CC(=CC=C1C(=O)C2=COC3=C2C=C(C=C3)O)Br	IC50 = 240000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B7U0PK	(2S)-N-[(2S)-6-Acetamido-1-amino-1-oxohexan-2-yl]-2-[[(2S)-2,6-diacetamidohexanoyl]amino]octanediamide	Investigative	56664966	C26H47N7O7	569.7	CC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](CCCCCC(=O)N)NC(=O)[C@H](CCCCNC(=O)C)NC(=O)C	IC50 = 290000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B7U5NL	4-(3-{[Amino(phenylimino)methyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)benzoic acid	Investigative	3106525	C18H15N3O4S	369.4	C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)SC(=NC3=CC=CC=C3)N	IC50 = 3466000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B8U0JR	5-(3-(Furan-2-carboxamido)benzamido)-2-hydroxybenzoic acid	Investigative	6496840	C19H14N2O6	366.3	C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)C(=O)NC3=CC(=C(C=C3)O)C(=O)O	IC50 = 1578000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B8U5WQ	(S)-Methyl 2-((S)-2-((S)-2-acetamidopropanamido)-6-pivalamidohexanamido)propanoate	Investigative	46919223	C20H36N4O6	428.5	C[C@@H](C(=O)N[C@@H](CCCCNC(=O)C(C)(C)C)C(=O)N[C@@H](C)C(=O)OC)NC(=O)C	IC50 = 223000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B9CNX7	4-Tert-Butylbenzoic acid	Investigative	7403	C11H14O2	178.23	CC(C)(C)C1=CC=C(C=C1)C(=O)O	IC50 = 1000000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	B9N2QT	[5-Hydroxy-4-(4-morpholinylmethyl)-1-benzofuran-3-yl](phenyl)methanone	Investigative	658354	C20H19NO4	337.4	C1COCCN1CC2=C(C=CC3=C2C(=CO3)C(=O)C4=CC=CC=C4)O	IC50 > 300000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BAC9B2	5-[(3-Acetamidophenyl)methoxy]pyridine-3-carboxamide	Investigative	124156339	C15H15N3O3	285.3	CC(=O)NC1=CC=CC(=C1)COC2=CN=CC(=C2)C(=O)N	IC50 > 200000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BB58NO	3-Benzoyl-1-benzofuran-5-yl acetate	Investigative	878744	C17H12O4	280.27	CC(=O)OC1=CC2=C(C=C1)OC=C2C(=O)C3=CC=CC=C3	IC50 > 300000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BBH61X	(S)-Methyl 2-((S)-6-acetamido-2-((S)-2-acetamidopropanamido)hexanamido)propanoate	Investigative	52948629	C17H30N4O6	386.4	C[C@@H](C(=O)N[C@@H](CCCCNC(=O)C)C(=O)N[C@@H](C)C(=O)OC)NC(=O)C	IC50 = 268000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BC9B8X	(5-Hydroxynaphtho[1,2-b]furan-3-yl)(4-methoxyphenyl)methanone	Investigative	746633	C20H14O4	318.3	COC1=CC=C(C=C1)C(=O)C2=COC3=C2C=C(C4=CC=CC=C43)O	IC50 = 256000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BDGX05	5-[[3-[(4-Phenoxybenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide	Investigative	124156896	C26H21N3O4	439.5	C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)COC4=CN=CC(=C4)C(=O)N	IC50 > 200000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BE2ZL1	1,3-Dimethyl-2,4-dioxo-N-[4-(pyridin-4-ylmethyl)phenyl]quinazoline-6-sulfonamide	Investigative	1258010	C22H20N4O4S	436.5	CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4)C(=O)N(C1=O)C	IC50 = 6521000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BF15EI	2,4-Dioxo-N-(4-(pyridin-3-yloxy)phenyl)-1,2,3,4-tetrahydroquinazoline-6-sulfonamide	Investigative	46966788	C19H14N4O5S	410.4	C1=CC(=CN=C1)OC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)NC4=O	IC50 = 314000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BFEW84	3-(2,5-Dimethoxybenzoyl)-1-benzofuran-5-yl acetate	Investigative	867287	C19H16O6	340.3	CC(=O)OC1=CC2=C(C=C1)OC=C2C(=O)C3=C(C=CC(=C3)OC)OC	IC50 > 300000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BFMW41	4-[[4-(Furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid	Investigative	6496838	C19H14N2O6	366.3	C1=COC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C(=O)O)O	IC50 = 599000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BFQ0N8	(s)-8-Bromo-6-chloro-2-pentylchroman-4-one	Investigative	66560391	C14H16BrClO2	331.63	CCCCC[C@H]1CC(=O)C2=C(O1)C(=CC(=C2)Cl)Br	IC50 > 200000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BFQ9Y0	(2,5-Dimethoxy-phenyl)-(5-hydroxy-4-morpholin-4-ylmethyl-benzofuran-3-yl)-methanone	Investigative	645092	C22H23NO6	397.4	COC1=CC(=C(C=C1)OC)C(=O)C2=COC3=C2C(=C(C=C3)O)CN4CCOCC4	IC50 > 300000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BG7E9J	3-[[3-(Naphthalen-1-yl)1,2,4-oxadiazole-5-carbonyl]amino]-1-[4-trifluoromethylphenyl]thiourea	Investigative	24949217	C21H14F3N5O2S	457.4	C1=CC=C2C(=C1)C=CC=C2C3=NOC(=N3)C(=O)NNC(=S)NC4=CC=C(C=C4)C(F)(F)F	IC50 = 318000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BGBO18	(2S)-6-Acetamido-2-[[(2S)-6-[6-[(6-amino-7H-purin-8-yl)sulfanyl]hexanoylamino]-2-[[(2S)-2,6-diacetamidohexanoyl]amino]hexanoyl]amino]hexanamide	Investigative	134131317	C35H58N12O7S	791	CC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](CCCCNC(=O)CCCCCSC1=NC2=NC=NC(=C2N1)N)NC(=O)[C@H](CCCCNC(=O)C)NC(=O)C	IC50 > 900000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BH6S1K	5-[[3-[(4-Phenylmethoxybenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide	Investigative	124156311	C27H23N3O4	453.5	C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)COC4=CN=CC(=C4)C(=O)N	IC50 > 200000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BJD20T	Chembl4128509	Investigative	145962411	C61H114N18O17S	1403.7	CCCCCCCCCCCCCNC(=O)CCCSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)N	IC50 > 200000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BJED37	CID 72550747	Investigative	72550747	C27H36N2O2S	452.7	CCCCCCCCN1C2=C(CN(CC2)C)C3=C1C=CC(=C3)C4=CC=C(C=C4)S(=O)(=O)C	IC50 > 250000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BJU45V	[4-(Benzyloxy)phenyl](4,6-dibromo-5-hydroxy-1-benzofuran-3-yl)methanone	Investigative	1736412	C22H14Br2O4	502.2	C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)C3=COC4=CC(=C(C(=C43)Br)O)Br	IC50 > 300000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BM1R5V	(4-Bromophenyl)(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone	Investigative	877268	C16H11BrO3	331.16	CC1=C(C2=C(O1)C=CC(=C2)O)C(=O)C3=CC=C(C=C3)Br	IC50 = 243000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BQ3J5I	Chembl4128353	Investigative	145960911	C58H108N18O17S	1361.7	CCCCCCCCCCNC(=O)CCCSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)N	IC50 > 200000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BT0Z3P	(5-Hydroxynaphtho[1,2-b]furan-3-yl)(4-methylphenyl)methanone	Investigative	787462	C20H14O3	302.3	CC1=CC=C(C=C1)C(=O)C2=COC3=C2C=C(C4=CC=CC=C43)O	IC50 > 300000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BT2BA3	2-[[4-(1,3-Dioxoisoindol-2-yl)benzoyl]amino]-5-hydroxybenzoic acid	Investigative	1230959	C22H14N2O6	402.4	C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)O)C(=O)O	IC50 = 424000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BTN1J9	2-(3-Isobutoxyphenylamino)Benzamide	Investigative	60165381	C17H20N2O2	284.35	CC(C)COC1=CC=CC(=C1)NC2=CC=CC=C2C(=O)N	IC50 > 300000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BTQE68	(4,6-Dibromo-5-hydroxy-1-benzofuran-3-yl)(2,5-dimethoxyphenyl)methanone	Investigative	1208250	C17H12Br2O5	456.1	COC1=CC(=C(C=C1)OC)C(=O)C2=COC3=CC(=C(C(=C32)Br)O)Br	IC50 > 300000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BTY98K	(4-Bromophenyl)(5-methoxy-2-methylnaphtho[1,2-b]furan-3-yl)methanone	Investigative	1068167	C21H15BrO3	395.2	CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)OC)C(=O)C4=CC=C(C=C4)Br	IC50 > 300000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BV4JU2	N-[4-[[3-[[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]methoxy]phenyl]thiophene-2-carboxamide	Investigative	134433618	C26H24N4O3S2	504.6	CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)COC3=CC=C(C=C3)NC(=O)C4=CC=CS4)C	IC50 > 300000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BV67KZ	2-(3-(4-Tert-butylphenyl)-1,2,4-oxadiazole-5-carbonyl)-N-(4-(trifluoromethyl)phenyl)hydrazinecarbothioamide	Investigative	24949066	C21H20F3N5O2S	463.5	CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)C(=O)NNC(=S)NC3=CC=C(C=C3)C(F)(F)F	IC50 = 325000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BY3G2W	(S)-Methyl 2-((S)-2-((S)-2-acetamidopropanamido)-6-(2-bromoacetamido)hexanamido)propanoate	Investigative	52941053	C17H29BrN4O6	465.3	C[C@@H](C(=O)N[C@@H](CCCCNC(=O)CBr)C(=O)N[C@@H](C)C(=O)OC)NC(=O)C	IC50 = 1767000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BYU73C	2,4-Dioxo-N-[3-(2-pyridin-4-ylethyl)phenyl]-1H-quinazoline-6-sulfonamide	Investigative	46966849	C21H18N4O4S	422.5	C1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)NC3=O)CCC4=CC=NC=C4	IC50 = 424000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BYX8M2	(2S)-6-Acetamido-2-[[(2S)-2-[[(2S)-2,6-diacetamidohexanoyl]amino]-6-[[2-[(2-iodoacetyl)amino]acetyl]amino]hexanoyl]amino]hexanamide	Investigative	134130403	C28H49IN8O8	752.6	CC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](CCCCNC(=O)CNC(=O)CI)NC(=O)[C@H](CCCCNC(=O)C)NC(=O)C	IC50 > 200000 nM	Non binder
T14731	NAD-dependent deacetylase sirtuin-1	BZH7G5	2-[3-(3-Phenylpropoxy)anilino]benzamide	Investigative	60165383	C22H22N2O2	346.4	C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC3=CC=CC=C3C(=O)N	IC50 > 300000 nM	Non binder