TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T20178	Tumor necrosis factor	D03XTA	PMID28870136-Compound-49	Patented	4740	C13H18N4O3	278.31	CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C	IC50 = 85000 nM	Poor binder
T20178	Tumor necrosis factor	D07FHZ	Ro 20-1724	Terminated	5087	C15H22N2O3	278.35	CCCCOC1=C(C=CC(=C1)CC2CNC(=O)N2)OC	IC50 = 50000 nM	Poor binder
T20178	Tumor necrosis factor	B0GTU6	4-(1-Benzyl-2,4-dioxo-1,4-dihydro-2H-pteridin-3-yl)-butyric acid ethyl ester	Investigative	10546983	C19H20N4O4	368.4	CCOC(=O)CCCN1C(=O)C2=NC=CN=C2N(C1=O)CC3=CC=CC=C3	IC50 = 175000 nM	Poor binder
T20178	Tumor necrosis factor	B1EU4K	4-(4,5-Difluoro-6,7-dimethoxy-1-oxo-1H-isoquinolin-2-yl)-butyric acid ethyl ester	Investigative	11792503	C17H19F2NO5	355.33	CCOC(=O)CCCN1C=C(C2=C(C(=C(C=C2C1=O)OC)OC)F)F	IC50 ~ 100000 nM	Poor binder
T20178	Tumor necrosis factor	B1HU7Q	N-[2-[(6,7-Dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide	Investigative	127038749	C32H28F3N3O4	575.6	CC1=CC2=C(C=C1C)OC=C(C2=O)C(=O)N(C)CCN(C)C(=O)C3=CN(C4=CC=CC=C43)C5=CC=CC(=C5)C(F)(F)F	IC50 ~ 60000 nM	Poor binder
T20178	Tumor necrosis factor	B1XCT2	3-(3-Cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide	Investigative	10687089	C18H13N3O3	319.3	C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC(=O)N)C3=CC=CC(=C3)C#N	IC50 = 89000 nM	Poor binder
T20178	Tumor necrosis factor	B2J5AI	3-(4-Cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide	Investigative	9797095	C18H13N3O3	319.3	C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC(=O)N)C3=CC=C(C=C3)C#N	IC50 = 150000 nM	Poor binder
T20178	Tumor necrosis factor	B3Q6PY	N-Benzyl-3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide	Investigative	10694592	C26H24N2O5	444.5	COC1=C(C=C(C=C1)C(CC(=O)NCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)OC	IC50 = 84000 nM	Poor binder
T20178	Tumor necrosis factor	B3Z6QA	2-(4-Bromoanilino)-6,7-dimethoxy-4-oxo-3,4-dihydroquinazoline-3-butyric acid ethyl ester	Investigative	10838771	C22H24BrN3O5	490.3	CCOC(=O)CCCN1C(=O)C2=CC(=C(C=C2N=C1NC3=CC=C(C=C3)Br)OC)OC	IC50 ~ 50000 nM	Poor binder
T20178	Tumor necrosis factor	B42CEY	4-(4-Bromo-6,7-dimethoxy-1-oxo-1H-isoquinolin-2-yl)-N-methyl-butyramide	Investigative	10500152	C16H19BrN2O4	383.24	CNC(=O)CCCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)Br	IC50 ~ 100000 nM	Poor binder
T20178	Tumor necrosis factor	B4CA8S	6-Heptyl-4-methyl-4H-[1,2,5]thiadiazolo[3,4-d]pyrimidine-5,7-dione	Investigative	10731615	C12H18N4O2S	282.36	CCCCCCCN1C(=O)C2=NSN=C2N(C1=O)C	IC50 = 75000 nM	Poor binder
T20178	Tumor necrosis factor	B4OMP3	(5S)-5-[2-[4-[(4-Cyclohexylpiperazin-1-yl)methyl]phenyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione	Investigative	46199476	C32H36FN5O4	573.7	COC1=C(C2=C(CN(C2=O)C[C@]3(C(=O)NC(=O)N3)C#CC4=CC=C(C=C4)CN5CCN(CC5)C6CCCCC6)C=C1)F	IC50 = 100001 nM	Poor binder
T20178	Tumor necrosis factor	B4UQP7	4-(6,7-Dimethoxy-1-oxo-1H-isoquinolin-2-yl)-N-methyl-butyramide	Investigative	10756895	C16H20N2O4	304.34	CNC(=O)CCCN1C=CC2=CC(=C(C=C2C1=O)OC)OC	IC50 ~ 100000 nM	Poor binder
T20178	Tumor necrosis factor	B50EVC	N-Methyl-N-(2-((1-phenylsulfonyl-1H-indole-3-ylcarbonyl)(methyl)amino)ethyl)-4-oxo-4H-1-benzopyran-3-carboxamide	Investigative	127041411	C29H25N3O6S	543.6	CN(CCN(C)C(=O)C1=COC2=CC=CC=C2C1=O)C(=O)C3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5	IC50 ~ 60000 nM	Poor binder
T20178	Tumor necrosis factor	B58JQL	5-(Acetylamino)-6,7-dimethoxy-4-oxo-3,4-dihydroquinazoline-3-butyric acid ethyl ester	Investigative	10547590	C18H23N3O6	377.4	CCOC(=O)CCCN1C=NC2=CC(=C(C(=C2C1=O)NC(=O)C)OC)OC	IC50 ~ 100000 nM	Poor binder
T20178	Tumor necrosis factor	B5Y7CW	4-(8-Mercapto-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-butyric acid ethyl ester	Investigative	10663883	C13H18N4O4S	326.37	CCOC(=O)CCCN1C(=O)C2=C(NC(=S)N2C)N(C1=O)C	IC50 = 100000 nM	Poor binder
T20178	Tumor necrosis factor	B6EMX9	3-(3,4-Dimethoxy-phenyl)-3-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionic acid methyl ester	Investigative	10764262	C20H18N2O8	414.4	COC1=C(C=C(C=C1)C(CC(=O)OC)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC	IC50 = 64000 nM	Poor binder
T20178	Tumor necrosis factor	B6GQ5Z	1-Hexyl-8-hydroxy-3-methyl-3,7,8,9-tetrahydro-purine-2,6-dione	Investigative	44382640	C12H20N4O3	268.31	CCCCCCN1C(=O)C2=C(NC(N2)O)N(C1=O)C	IC50 = 50000 nM	Poor binder
T20178	Tumor necrosis factor	B6J3GM	3-(3,4-Dimethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-N-ethyl-propionamide	Investigative	10619896	C21H22N2O5	382.4	CCNC(=O)CC(C1=CC(=C(C=C1)OC)OC)N2C(=O)C3=CC=CC=C3C2=O	IC50 = 53000 nM	Poor binder
T20178	Tumor necrosis factor	B7SQ8B	6,7-Dimethoxy-N-phenylisoquinolin-1-amine	Investigative	428211	C17H16N2O2	280.32	COC1=C(C=C2C(=C1)C=CN=C2NC3=CC=CC=C3)OC	IC50 ~ 100000 nM	Poor binder
T20178	Tumor necrosis factor	B8D7UK	3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-naphthalen-2-yl-propionamide	Investigative	9841064	C21H16N2O3	344.4	C1=CC=C2C=C(C=CC2=C1)C(CC(=O)N)N3C(=O)C4=CC=CC=C4C3=O	IC50 = 51000 nM	Poor binder
T20178	Tumor necrosis factor	B9L8GK	3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(3,4-dipropoxy-phenyl)-propionamide	Investigative	10573618	C23H26N2O5	410.5	CCCOC1=C(C=C(C=C1)C(CC(=O)N)N2C(=O)C3=CC=CC=C3C2=O)OCCC	IC50 = 55000 nM	Poor binder
T20178	Tumor necrosis factor	BAC94B	Methyl 4-[3-(3-chlorophenyl)-7-methoxy-2,4-dioxopyrimido[5,4-c]quinolin-1-yl]piperidine-1-carboxylate	Investigative	58329377	C25H23ClN4O5	494.9	COC1=CC=CC2=C3C(=CN=C21)C(=O)N(C(=O)N3C4CCN(CC4)C(=O)OC)C5=CC(=CC=C5)Cl	IC50 = 50000 nM	Poor binder
T20178	Tumor necrosis factor	BB3R4L	4-(4-Bromo-6,7-dimethoxy-1-oxo-1H-isoquinolin-2-yl)-butyric acid ethyl ester	Investigative	10548866	C17H20BrNO5	398.2	CCOC(=O)CCCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)Br	IC50 = 51000 nM	Poor binder
T20178	Tumor necrosis factor	BB81HS	1-Methyl-2,4-dioxo-1,4-dihydroquinazoline-3(2H)-butyric acid ethyl ester	Investigative	10755908	C15H18N2O4	290.31	CCOC(=O)CCCN1C(=O)C2=CC=CC=C2N(C1=O)C	IC50 = 55000 nM	Poor binder
T20178	Tumor necrosis factor	BC57TN	3-(3,4-Dimethoxyphenyl)-3-phthalimidopropanoic acid	Investigative	10360825	C19H17NO6	355.3	COC1=C(C=C(C=C1)C(CC(=O)O)N2C(=O)C3=CC=CC=C3C2=O)OC	IC50 = 60000 nM	Poor binder
T20178	Tumor necrosis factor	BCNB58	(5S)-5-[(5-Iodo-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione	Investigative	46200407	C19H13IN4O3	472.2	C1C2=C(C=C(C=C2)I)C(=O)N1C[C@]3(C(=O)NC(=O)N3)C#CC4=CN=CC=C4	IC50 = 100001 nM	Poor binder
T20178	Tumor necrosis factor	BEG13I	N-(3-Chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide	Investigative	874861	C12H9ClFNO3S	301.72	C1=CC(=CC=C1F)S(=O)(=O)NC2=CC(=C(C=C2)O)Cl	IC50 ~ 100000 nM	Poor binder
T20178	Tumor necrosis factor	BH1F6J	4-(2-Chloro-6,7-dimethoxyquinazoline-4-yloxy)butyric acid ethyl ester	Investigative	10594315	C16H19ClN2O5	354.78	CCOC(=O)CCCOC1=NC(=NC2=CC(=C(C=C21)OC)OC)Cl	IC50 = 68000 nM	Poor binder
T20178	Tumor necrosis factor	BH3D0L	(3,5-Dichloro-4-hydroxyphenyl)(2-naphthylsulfonyl)amine	Investigative	1137620	C16H11Cl2NO3S	368.2	C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=CC(=C(C(=C3)Cl)O)Cl	IC50 ~ 100000 nM	Poor binder
T20178	Tumor necrosis factor	BJ64LU	6,7-Dimethoxy-1-oxo-1,2-dihydroisoquinoline-2-propionic acid ethyl ester	Investigative	10733368	C16H19NO5	305.32	CCOC(=O)CCN1C=CC2=CC(=C(C=C2C1=O)OC)OC	IC50 = 50000 nM	Poor binder
T20178	Tumor necrosis factor	BM1A4R	2-(4-Azidoanilino)-6,7-dimethoxy-4-oxo-3,4-dihydroquinazoline-3-butyric acid ethyl ester	Investigative	10527621	C22H24N6O5	452.5	CCOC(=O)CCCN1C(=O)C2=CC(=C(C=C2N=C1NC3=CC=C(C=C3)N=[N+]=[N-])OC)OC	IC50 ~ 50000 nM	Poor binder
T20178	Tumor necrosis factor	BO8MK6	3-(1,3-Dioxoisoindol-2-yl)-3-(4-methoxyphenyl)propanamide	Investigative	9949152	C18H16N2O4	324.3	COC1=CC=C(C=C1)C(CC(=O)N)N2C(=O)C3=CC=CC=C3C2=O	IC50 = 62000 nM	Poor binder
T20178	Tumor necrosis factor	BPI45R	(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-acetic acid ethyl ester	Investigative	676987	C11H14N4O4	266.25	CCOC(=O)CN1C(=O)C2=C(N=CN2C)N(C1=O)C	IC50 = 200000 nM	Poor binder
T20178	Tumor necrosis factor	BREY45	2-(6,7-Dimethoxy-isoquinolin-1-ylamino)-ethanol	Investigative	10538504	C13H16N2O3	248.28	COC1=C(C=C2C(=C1)C=CN=C2NCCO)OC	IC50 = 55000 nM	Poor binder
T20178	Tumor necrosis factor	BT5R6L	3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(3-methoxy-phenyl)-propionamide	Investigative	9840218	C18H16N2O4	324.3	COC1=CC=CC(=C1)C(CC(=O)N)N2C(=O)C3=CC=CC=C3C2=O	IC50 = 120000 nM	Poor binder
T20178	Tumor necrosis factor	BVO86J	4-(8-Bromo-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-butyric acid ethyl ester	Investigative	10595485	C13H17BrN4O4	373.2	CCOC(=O)CCCN1C(=O)C2=C(N=C(N2C)Br)N(C1=O)C	IC50 = 60000 nM	Poor binder
T20178	Tumor necrosis factor	BWRU36	6,7-Dimethoxy-1-oxo-1,2-dihydroisoquinoline-2-butyric acid	Investigative	10803497	C15H17NO5	291.3	COC1=C(C=C2C(=C1)C=CN(C2=O)CCCC(=O)O)OC	IC50 ~ 100000 nM	Poor binder
T20178	Tumor necrosis factor	BY9P0K	4-(6,7-Diethyl-1-methyl-2,4-dioxo-1,4-dihydro-2H-pteridin-3-yl)-butyric acid ethyl ester	Investigative	10831577	C17H24N4O4	348.4	CCC1=C(N=C2C(=N1)C(=O)N(C(=O)N2C)CCCC(=O)OCC)CC	IC50 = 130000 nM	Poor binder
T20178	Tumor necrosis factor	BZS9N6	3-(3,4-Dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide	Investigative	9907022	C17H12Cl2N2O3	363.2	C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC(=O)N)C3=CC(=C(C=C3)Cl)Cl	IC50 = 70000 nM	Poor binder