TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T98397	Thymidylate synthase	D0FE8F	Folic acid	Phase 2/3	135398658	C19H19N7O6	441.4	C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N	IC50 = 290000 nM	Non binder
T98397	Thymidylate synthase	B03JIX	2,4-Diamino-5-methyl-6-(3''-methoxyphenylsulfanyl)-furo[2,3-d]pyrimidine	Investigative	46231412	C14H14N4O2S	302.35	CC1=C(OC2=NC(=NC(=C12)N)N)SC3=CC=CC(=C3)OC	IC50 > 200000 nM	Non binder
T98397	Thymidylate synthase	B04GYF	2-(4-Imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione	Investigative	53392519	C18H13N3O2	303.3	CC1=C2C(=CC=C1)C(=O)N(C2=O)C3=CC=C(C=C3)N4C=CN=C4	Ki = 206000 nM	Non binder
T98397	Thymidylate synthase	B0JE3W	1,1-Bis(4-hydroxy-3-iodo-phenyl)benzo[e]isobenzofuran-3-one	Investigative	16086912	C24H14I2O4	620.2	C1=CC=C2C(=C1)C=CC3=C2C(OC3=O)(C4=CC(=C(C=C4)O)I)C5=CC(=C(C=C5)O)I	Ki > 245000 nM	Non binder
T98397	Thymidylate synthase	B0N7KS	2-({4-[2-(4,6-Diamino-furo[2,3-b]pyridin-3-yl)-ethyl]-benzoyl}-methyl-amino)-pentanedioic acid	Investigative	44300934	C21H22N4O6	426.4	C1=CC(=CC=C1CCC2=COC3=C2C(=CC(=N3)N)N)C(=O)NC(CCC(=O)O)C(=O)O	IC50 = 220000 nM	Non binder
T98397	Thymidylate synthase	B0R6PZ	Benzo[f]quinazolin-1(2H)-one, 3-amino-10-chloro-5,6-dihydro-	Investigative	136171347	C12H10ClN3O	247.68	C1CC2=C(C3=C1C=CC=C3Cl)C(=O)NC(=N2)N	IC50 = 770000 nM	Non binder
T98397	Thymidylate synthase	B2BIQ8	2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-4-sulfo-butyric acid	Investigative	135887125	C19H24N6O7S	480.5	C1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCS(=O)(=O)O)C(=O)O	IC50 = 2100000 nM	Non binder
T98397	Thymidylate synthase	B2E7HO	5-Methyl-6-(2-methyl-6-propan-2-ylphenyl)sulfanylfuro[2,3-d]pyrimidine-2,4-diamine	Investigative	46231414	C17H20N4OS	328.4	CC1=C(C(=CC=C1)C(C)C)SC2=C(C3=C(N=C(N=C3O2)N)N)C	IC50 > 200000 nM	Non binder
T98397	Thymidylate synthase	B3O1PM	Phenolnaphthalein derivative, 3	Investigative	16086919	C24H13ClF2O4	438.8	C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3(C4=CC(=C(C=C4)O)F)C5=CC(=C(C=C5)O)F)Cl	Ki > 245000 nM	Non binder
T98397	Thymidylate synthase	B3PW1X	2-{4-[(2-Amino-4-oxo-3,4-dihydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-4-phosphono-butyric acid	Investigative	135887103	C19H21N6O7P	476.4	C1=CC(=CC=C1C(=O)NC(CCP(=O)(O)O)C(=O)O)NCC2=CC3=C(N=C2)N=C(NC3=O)N	IC50 = 300000 nM	Non binder
T98397	Thymidylate synthase	B3Q7AG	(2S)-2-[[4-[(E)-1-(2,4-Diaminofuro[2,3-d]pyrimidin-5-yl)prop-1-en-2-yl]benzoyl]amino]pentanedioic acid	Investigative	52943039	C21H21N5O6	439.4	C/C(=C\\C1=COC2=NC(=NC(=C12)N)N)/C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	IC50 > 360000 nM	Non binder
T98397	Thymidylate synthase	B48JIL	(E)-3-(2-Chlorophenyl)-N-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)prop-2-enamide	Investigative	71520366	C21H12ClNO4	377.8	C1=CC=C(C(=C1)/C=C/C(=O)NC2=CC3=C4C(=C2)C=CC=C4C(=O)OC3=O)Cl	Ki > 616000 nM	Non binder
T98397	Thymidylate synthase	B4I6ME	N-(2,4-Dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)-4-(trifluoromethyl)benzamide	Investigative	71521742	C20H10F3NO4	385.3	C1=CC2=CC(=CC3=C2C(=C1)C(=O)OC3=O)NC(=O)C4=CC=C(C=C4)C(F)(F)F	Ki > 206000 nM	Non binder
T98397	Thymidylate synthase	B4LJN0	delta(Sup 1),alpha-Acenaphthenemalononitrile, 2-oxo-	Investigative	96894	C15H6N2O	230.22	C1=CC2=C3C(=C1)C(=C(C#N)C#N)C(=O)C3=CC=C2	Ki > 309000 nM	Non binder
T98397	Thymidylate synthase	B5P7RY	3-Amino-6-methyl-5,6-dihydrobenzo[f]quinazolin-1(2H)-one	Investigative	135838249	C13H13N3O	227.26	CC1CC2=C(C3=CC=CC=C13)C(=O)NC(=N2)N	IC50 = 250000 nM	Non binder
T98397	Thymidylate synthase	B6B5DA	2-[4-(2-Amino-4-oxo-4,4b,5,7,8,8a,9,10-octahydro-3H-1,3,6,10-tetraaza-phenanthren-6-yl)-benzoylamino]-pentanedioic acid	Investigative	136056477	C22H26N6O6	470.5	C1CN(CC2C1CNC3=C2C(=O)NC(=N3)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O	IC50 > 200000 nM	Non binder
T98397	Thymidylate synthase	B6EFL2	3,3-Diphenyl-1h,3h-benzo[de]isochromen-1-one	Investigative	290624	C24H16O2	336.4	C1=CC=C(C=C1)C2(C3=CC=CC4=C3C(=CC=C4)C(=O)O2)C5=CC=CC=C5	Ki > 309000 nM	Non binder
T98397	Thymidylate synthase	B7MS6N	3-Nitro-1,8-naphthalic anhydride	Investigative	18194	C12H5NO5	243.17	C1=CC2=CC(=CC3=C2C(=C1)C(=O)OC3=O)[N+](=O)[O-]	Ki > 206000 nM	Non binder
T98397	Thymidylate synthase	B7R0PY	6-[(2-Hydroxyethyl)thio]-1H,3H-naphtho[1,8-cd]pyran-1,3-dione	Investigative	2781167	C14H10O4S	274.29	C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)SCCO	Ki > 474000 nM	Non binder
T98397	Thymidylate synthase	B86YKF	2-{4-[2-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl)-1-methyl-ethyl]-benzoylamino}-pentanedioic acid	Investigative	9911146	C21H23N5O6	441.4	CC(CC1=COC2=NC(=NC(=C12)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	IC50 > 360000 nM	Non binder
T98397	Thymidylate synthase	B8RKU6	2,4-Diamino-5-methyl-6-(2''-methoxyphenylsulfanyl)-furo[2,3-d]pyrimidine	Investigative	46231411	C14H14N4O2S	302.35	CC1=C(OC2=NC(=NC(=C12)N)N)SC3=CC=CC=C3OC	IC50 > 200000 nM	Non binder
T98397	Thymidylate synthase	B9DFI8	Benzyl (1-(2-((2-hydroxyethyl)amino)ethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate	Investigative	361689	C17H20N4O6	376.4	C1=CC=C(C=C1)COC(=O)NC(=O)C2=CN(C(=O)NC2=O)CCNCCO	IC50 = 619000 nM	Non binder
T98397	Thymidylate synthase	B9IQM7	N-[4-[2-(2,4-Diaminofuro[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid	Investigative	9932276	C20H21N5O6	427.4	C1=CC(=CC=C1CCC2=COC3=NC(=NC(=C23)N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	IC50 > 200000 nM	Non binder
T98397	Thymidylate synthase	B9TB2F	3-Amino-7,9-dimethyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one	Investigative	135838222	C14H15N3O	241.29	CC1=CC(=C2CCC3=C(C2=C1)C(=O)NC(=N3)N)C	IC50 = 560000 nM	Non binder
T98397	Thymidylate synthase	BC8GT6	2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-4-phosphono-butyric acid	Investigative	135887106	C19H25N6O7P	480.4	C1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCP(=O)(O)O)C(=O)O	IC50 = 4200000 nM	Non binder
T98397	Thymidylate synthase	BCFK89	Unii-D1OE4mxz8A	Investigative	44448712	C9H11F2N2O8P	344.16	C1=CN(C(=O)NC1=O)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)O)O)(F)F	Ki = 432800 nM	Non binder
T98397	Thymidylate synthase	BCS56B	2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid	Investigative	135436405	C21H25N5O6	443.5	C1C(CNC2=C1C(=O)NC(=N2)N)CCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	IC50 > 1000000 nM	Non binder
T98397	Thymidylate synthase	BCV6T8	6-(2,5-Dimethoxyphenyl)sulfanyl-5-methylfuro[2,3-d]pyrimidine-2,4-diamine	Investigative	46231373	C15H16N4O3S	332.4	CC1=C(OC2=NC(=NC(=C12)N)N)SC3=C(C=CC(=C3)OC)OC	IC50 > 200000 nM	Non binder
T98397	Thymidylate synthase	BE24MJ	2-[[4-[(2,4-Diaminofuro[2,3-d]pyrimidin-5-yl)methylamino]benzoyl]amino]pentanedioic acid	Investigative	468708	C19H20N6O6	428.4	C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=COC3=NC(=NC(=C23)N)N	IC50 > 200000 nM	Non binder
T98397	Thymidylate synthase	BE2M3V	3-(2-Chlorophenyl)-N-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)-5-methyl-1,2-oxazole-4-carboxamide	Investigative	71520482	C23H13ClN2O5	432.8	CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC4=C5C(=C3)C=CC=C5C(=O)OC4=O	Ki > 826000 nM	Non binder
T98397	Thymidylate synthase	BFCI43	4-Amino-N-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)benzamide	Investigative	71521740	C19H12N2O4	332.3	C1=CC2=CC(=CC3=C2C(=C1)C(=O)OC3=O)NC(=O)C4=CC=C(C=C4)N	Ki > 823000 nM	Non binder
T98397	Thymidylate synthase	BH6M4C	Dpmabg	Investigative	158351	C19H20N6O6	428.4	C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=COC3=NC(=NC(=C23)N)N	IC50 > 200000 nM	Non binder
T98397	Thymidylate synthase	BHOC93	3-Amino-1,8-naphthalic anhydride	Investigative	12680923	C12H7NO3	213.19	C1=CC2=CC(=CC3=C2C(=C1)C(=O)OC3=O)N	Ki > 412000 nM	Non binder
T98397	Thymidylate synthase	BJQH82	6-(2,6-Dichlorophenyl)sulfanyl-5-methylfuro[2,3-d]pyrimidine-2,4-diamine	Investigative	46231372	C13H10Cl2N4OS	341.2	CC1=C(OC2=NC(=NC(=C12)N)N)SC3=C(C=CC=C3Cl)Cl	IC50 > 200000 nM	Non binder
T98397	Thymidylate synthase	BJY39G	2,4-Diamino-5-methyl-6-(1-naphthylthio)furo[2,3-d]pyrimidine	Investigative	46231369	C17H14N4OS	322.4	CC1=C(OC2=NC(=NC(=C12)N)N)SC3=CC=CC4=CC=CC=C43	IC50 > 200000 nM	Non binder
T98397	Thymidylate synthase	BK1S3G	2-({4-[1-(4,6-Diamino-furo[2,3-b]pyridin-3-ylmethyl)-propyl]-benzoyl}-methyl-amino)-pentanedioic acid	Investigative	44300967	C23H26N4O6	454.5	CCC(CC1=COC2=C1C(=CC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	IC50 = 220000 nM	Non binder
T98397	Thymidylate synthase	BL59DW	2-(Phenylimino)acenaphthene-1-one	Investigative	4530276	C18H11NO	257.3	C1=CC=C(C=C1)N=C2C3=CC=CC4=C3C(=CC=C4)C2=O	Ki > 309000 nM	Non binder
T98397	Thymidylate synthase	BMU50S	2-({4-[2-(4,6-Diamino-furo[2,3-b]pyridin-3-yl)-1-methyl-ethyl]-benzoyl}-methyl-amino)-pentanedioic acid	Investigative	44300964	C22H24N4O6	440.4	CC(CC1=COC2=C1C(=CC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	IC50 > 360000 nM	Non binder
T98397	Thymidylate synthase	BN0RQ1	5-Amino-2-{4-[(2-amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanoic acid	Investigative	135887124	C20H27N7O4	429.5	C1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCCN)C(=O)O	IC50 = 470000 nM	Non binder
T98397	Thymidylate synthase	BNX80Q	6-(3,4-Dimethoxyphenyl)sulfanyl-5-methylfuro[2,3-d]pyrimidine-2,4-diamine	Investigative	46231413	C15H16N4O3S	332.4	CC1=C(OC2=NC(=NC(=C12)N)N)SC3=CC(=C(C=C3)OC)OC	IC50 > 200000 nM	Non binder
T98397	Thymidylate synthase	BO14FE	1,1-Bis(3,5-dibromo-4-hydroxy-phenyl)benzo[e]isobenzofuran-3-one	Investigative	16086914	C24H12Br4O4	684	C1=CC=C2C(=C1)C=CC3=C2C(OC3=O)(C4=CC(=C(C(=C4)Br)O)Br)C5=CC(=C(C(=C5)Br)O)Br	Ki > 245000 nM	Non binder
T98397	Thymidylate synthase	BP5WA2	2,4-Diamino-5-methyl-6-(4''-methoxyphenylsulfanyl)-furo[2,3-d]pyrimidine	Investigative	46231409	C14H14N4O2S	302.35	CC1=C(OC2=NC(=NC(=C12)N)N)SC3=CC=C(C=C3)OC	IC50 > 200000 nM	Non binder
T98397	Thymidylate synthase	BP8K9Z	3-Amino-8-fluoro-7-nitrobenzo(f)quinazolin-1(2h)-one	Investigative	135838239	C12H7FN4O3	274.21	C1=CC2=C(C3=C1C(=C(C=C3)F)[N+](=O)[O-])C(=O)NC(=N2)N	IC50 = 552000 nM	Non binder
T98397	Thymidylate synthase	BPH19F	Phenolnaphthalein derivative, 1	Investigative	403898	C24H14F2O4	404.4	C1=CC2=C3C(=C1)C(=O)OC(C3=CC=C2)(C4=CC(=C(C=C4)O)F)C5=CC(=C(C=C5)O)F	Ki > 402000 nM	Non binder
T98397	Thymidylate synthase	BPJW67	2,4-Diamino-5-methyl-6-(2-naphthylthio)furo[2,3-d]pyrimidine	Investigative	46231370	C17H14N4OS	322.4	CC1=C(OC2=NC(=NC(=C12)N)N)SC3=CC4=CC=CC=C4C=C3	IC50 > 200000 nM	Non binder
T98397	Thymidylate synthase	BQTI62	2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-4-(ethoxy-hydroxy-phosphoryl)-butyric acid	Investigative	136046152	C21H29N6O7P	508.5	CCOP(=O)(CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2CC3=C(NC2)N=C(NC3=O)N)O	IC50 > 5000000 nM	Non binder
T98397	Thymidylate synthase	BR0NY8	1H,3H-Naphtho[1,8-cd]pyran-6-sulfonic acid, 1,3-dioxo-	Investigative	104070	C12H6O6S	278.24	C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)S(=O)(=O)O	Ki > 824000 nM	Non binder
T98397	Thymidylate synthase	BS0KO4	6-(2,6-Dimethylphenyl)sulfanyl-5-methylfuro[2,3-d]pyrimidine-2,4-diamine	Investigative	46231371	C15H16N4OS	300.4	CC1=C(C(=CC=C1)C)SC2=C(C3=C(N=C(N=C3O2)N)N)C	IC50 > 200000 nM	Non binder
T98397	Thymidylate synthase	BT5ZV3	3-Amino-8-methoxy-5,6-dihydrobenzo[f]quinazolin-1(2H)-one	Investigative	135838196	C13H13N3O2	243.26	COC1=CC2=C(C=C1)C3=C(CC2)N=C(NC3=O)N	IC50 = 220000 nM	Non binder
T98397	Thymidylate synthase	BV89OJ	3-Chloro-N-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)-1-benzothiophene-2-carboxamide	Investigative	71520360	C21H10ClNO4S	407.8	C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC4=C5C(=C3)C=CC=C5C(=O)OC4=O)Cl	Ki > 411000 nM	Non binder
T98397	Thymidylate synthase	BW9S7G	5-Methyl-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]sulfanylfuro[2,3-d]pyrimidine-2,4-diamine	Investigative	46231410	C14H7F7N4OS	412.29	CC1=C(OC2=NC(=NC(=C12)N)N)SC3=C(C(=C(C(=C3F)F)C(F)(F)F)F)F	IC50 > 200000 nM	Non binder
T98397	Thymidylate synthase	BY9PO3	Phenolnaphthalein derivative, 2	Investigative	16086918	C24H13Br2ClO4	560.6	C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3(C4=CC(=C(C=C4)O)Br)C5=CC(=C(C=C5)O)Br)Cl	Ki > 245000 nM	Non binder
T98397	Thymidylate synthase	BZB4I7	(E)-N-(2,4-Dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide	Investigative	71520481	C22H12F3NO4	411.3	C1=CC(=CC(=C1)C(F)(F)F)/C=C/C(=O)NC2=CC3=C4C(=C2)C=CC=C4C(=O)OC3=O	Ki > 206000 nM	Non binder
T98397	Thymidylate synthase	BZW0N9	2-[[4-[(2,4-Diaminofuro[2,3-d]pyrimidin-5-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid	Investigative	3439	C20H22N6O6	442.4	CN(CC1=COC2=NC(=NC(=C12)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	IC50 > 200000 nM	Non binder
T98397	Thymidylate synthase	D00IBG	flavin mononucleotide	Investigative	643976	C17H21N4O9P	456.3	CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	IC50 > 500000 nM	Non binder
T98397	Thymidylate synthase	D06DIH	Furo[2,3d]Pyrimidine Antifolate	Investigative	158376	C20H22N6O6	442.4	CN(CC1=COC2=NC(=NC(=C12)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	IC50 > 200000 nM	Non binder
T98397	Thymidylate synthase	D07LML	Tosyl-D-Proline	Investigative	445504	C12H15NO4S	269.32	CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H]2C(=O)O	Ki = 1100000 nM	Non binder