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	D0SV8E	Methotrexate	Approved	126941	C20H22N8O5	454.4	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	IC50 = 120000 nM	Poor binder
T98397	Thymidylate synthase	D0Y4GO	Pemetrexed	Approved	135410875	C20H21N5O6	427.4	.	IC50 = 110000 nM	Poor binder
T98397	Thymidylate synthase	B05GVC	3-Amino-7-methyl-5,6-dihydrobenzo[f]quinazolin-1(2H)-one	Investigative	135838108	C13H13N3O	227.26	CC1=C2CCC3=C(C2=CC=C1)C(=O)NC(=N3)N	IC50 = 51000 nM	Poor binder
T98397	Thymidylate synthase	B0I9DL	3-Methyl-7-chloro-5,6-dihydrobenzo[f]quinazolin-1(2H)-one	Investigative	135838133	C13H11ClN2O	246.69	CC1=NC2=C(C3=C(CC2)C(=CC=C3)Cl)C(=O)N1	IC50 = 192800 nM	Poor binder
T98397	Thymidylate synthase	B1F2PR	Benzo[f]quinazolin-1(2H)-one, 3-amino-9-fluoro-5,6-dihydro-	Investigative	135838209	C12H10FN3O	231.23	C1CC2=C(C3=C1C=CC(=C3)F)C(=O)NC(=N2)N	IC50 = 73000 nM	Poor binder
T98397	Thymidylate synthase	B1JUY7	2-[[4-[[(2-Methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]methyl]benzoyl]amino]pentanedioic acid	Investigative	136209381	C26H26N4O6	490.5	CC1=NC2=C(C=C(C=C2)CN(CC#C)CC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N1	IC50 = 83000 nM	Poor binder
T98397	Thymidylate synthase	B2E3IK	1,8-Naphthalein derivative, 13	Investigative	10478775	C24H15BrO4	447.3	C1=CC2=C3C(=C1)C(=O)OC(C3=CC=C2)(C4=CC=C(C=C4)O)C5=CC(=C(C=C5)O)Br	Ki ~ 132000 nM	Poor binder
T98397	Thymidylate synthase	B2H7TX	(S)-2-{4-[2-(2-Amino-4-ethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid	Investigative	10993870	C22H25N5O5	439.5	CCC1=C2C(=CNC2=NC(=N1)N)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	IC50 = 80000 nM	Poor binder
T98397	Thymidylate synthase	B2P9TH	3-Amino-7-methoxy-5,6-dihydrobenzo[f]quinazolin-1(2H)-one	Investigative	135838152	C13H13N3O2	243.26	COC1=CC=CC2=C1CCC3=C2C(=O)NC(=N3)N	IC50 = 146000 nM	Poor binder
T98397	Thymidylate synthase	B2WU4T	8-Deazafolic acid	Investigative	135777639	C20H20N6O6	440.4	C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(C=C2)N=C(NC3=O)N	IC50 = 55000 nM	Poor binder
T98397	Thymidylate synthase	B3WV8I	Benzo[f]quinazolin-1(2H)-one, 3-amino-7-bromo-5,6-dihydro-	Investigative	135838178	C12H10BrN3O	292.13	C1CC2=C(C3=C1C(=CC=C3)Br)C(=O)NC(=N2)N	IC50 = 154000 nM	Poor binder
T98397	Thymidylate synthase	B42QGK	3-Amino-9-ethynylbenzo[f]quinazolin-1(2h)-one	Investigative	135622210	C14H9N3O	235.24	C#CC1=CC2=C(C=C1)C=CC3=C2C(=O)NC(=N3)N	IC50 = 50700 nM	Poor binder
T98397	Thymidylate synthase	B4EGR2	[(2R,3S,5R)-3-Hydroxy-5-[5-(4-hydroxyphenyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate	Investigative	90663792	C15H17N2O9P	400.28	C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C3=CC=C(C=C3)O)COP(=O)(O)O)O	Ki = 134100 nM	Poor binder
T98397	Thymidylate synthase	B4PS0Y	2-(4-Hydroxybiphenyl-3-Yl)-4-Methyl-1h-Isoindole-1,3(2h)-Dione	Investigative	25134257	C21H15NO3	329.3	CC1=C2C(=CC=C1)C(=O)N(C2=O)C3=C(C=CC(=C3)C4=CC=CC=C4)O	Ki = 81000 nM	Poor binder
T98397	Thymidylate synthase	B4WNF9	N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide	Investigative	121378588	C17H16FN3O4S2	409.5	C1CN(C[C@@H]1O)C2=CC=C(S2)S(=O)(=O)NC3=C(C=C4C=CNC(=O)C4=C3)F	IC50 ~ 100000 nM	Poor binder
T98397	Thymidylate synthase	B56ESG	Benzo[f]quinazolin-1(2H)-one, 3,8-diamino-5,6-dihydro-	Investigative	135838119	C12H12N4O	228.25	C1CC2=C(C3=C1C=C(C=C3)N)C(=O)NC(=N2)N	IC50 = 156000 nM	Poor binder
T98397	Thymidylate synthase	B5LW4S	3-Amino-6-methyl-8-chloro-5,6-dihydrobenzo[f]quinazolin-1(2H)-one	Investigative	135838181	C13H12ClN3O	261.7	CC1CC2=C(C3=C1C=C(C=C3)Cl)C(=O)NC(=N2)N	IC50 = 58900 nM	Poor binder
T98397	Thymidylate synthase	B5RF0I	4-Amino-1,8-naphthalic anhydride	Investigative	80990	C12H7NO3	213.19	C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)N	Ki ~ 160000 nM	Poor binder
T98397	Thymidylate synthase	B5SYV2	2-Amino-6-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanylmethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one	Investigative	135746748	C17H19N9O4S	445.5	C1=C(NC2=C1C(=O)NC(=N2)N)CSC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O	Ki = 93000 nM	Poor binder
T98397	Thymidylate synthase	B5TPJ6	N-(4-Aminophenyl)-4-hydroxy-2-oxo-1-pentyl-1,2-dihydro-3-quinolinecarboxamide	Investigative	54678804	C21H23N3O3	365.4	CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=C(C=C3)N)O	IC50 = 71000 nM	Poor binder
T98397	Thymidylate synthase	B5UHQ4	(2S)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid	Investigative	118730358	C45H64N10O15	985	CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)N	IC50 = 56000 nM	Poor binder
T98397	Thymidylate synthase	B6J5KV	3-Methylamino-5,6-dihydrobenzo[f]quinazolin-1(2H)-one	Investigative	135838143	C13H13N3O	227.26	CNC1=NC2=C(C3=CC=CC=C3CC2)C(=O)N1	IC50 = 98400 nM	Poor binder
T98397	Thymidylate synthase	B6TWF7	3-Methyl-7-iodo-5,6-dihydrobenzo[f]quinazolin-1(2H)-one	Investigative	135838246	C13H11IN2O	338.14	CC1=NC2=C(C3=C(CC2)C(=CC=C3)I)C(=O)N1	IC50 = 154000 nM	Poor binder
T98397	Thymidylate synthase	B7BVP0	2-[[4-[[(2-Amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)-methylamino]methyl]benzoyl]amino]pentanedioic acid	Investigative	135887148	C21H26N6O6	458.5	CN(CC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)C2CC3=C(NC2)N=C(NC3=O)N	IC50 ~ 100000 nM	Poor binder
T98397	Thymidylate synthase	B7GT8F	[(2R,3S,5R)-5-[5-(4-Cyanophenyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate	Investigative	90663794	C16H16N3O8P	409.29	C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C3=CC=C(C=C3)C#N)COP(=O)(O)O)O	Ki = 114200 nM	Poor binder
T98397	Thymidylate synthase	B7JR2Q	(2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid	Investigative	76314510	C43H71N13O13S	1010.2	CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N	IC50 = 57000 nM	Poor binder
T98397	Thymidylate synthase	B7L4BW	1,1-Bis(4-hydroxyphenyl)benzo[e]isobenzofuran-3-one	Investigative	16086910	C24H16O4	368.4	C1=CC=C2C(=C1)C=CC3=C2C(OC3=O)(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O	Ki ~ 132000 nM	Poor binder
T98397	Thymidylate synthase	B7RLO5	2-[4-({2-Amino-5-[1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl]-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[3,2-d]pyrimidin-6-ylmethyl}-amino)-benzoylamino]-pentanedioic acid	Investigative	136215368	C30H36N8O11	684.7	C1CC2=C(C(=O)NC(=N2)N)N(C1CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)CC4=CN(C(=O)NC4=O)[C@H]5C[C@@H]([C@H](O5)CO)O	Ki = 150000 nM	Poor binder
T98397	Thymidylate synthase	B8A3JT	(2S)-5-Amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid	Investigative	118730361	C34H58N10O15S	879	CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)N	IC50 = 50000 nM	Poor binder
T98397	Thymidylate synthase	B91QST	2-{2-[4-(2-Amino-2-oxoethoxy)benzylidene]hydrazino}-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide	Investigative	6876724	C19H20N4O5	384.4	CC1=CC(=C(C=C1)OC)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OCC(=O)N	IC50 = 112000 nM	Poor binder
T98397	Thymidylate synthase	B94QOD	Diethyl 2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[3,2-d]pyrimidin-6-yl)methyl-nitrosoamino]benzoyl]amino]pentanedioate	Investigative	136044192	C24H31N7O7	529.5	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(CC2CCC3=C(N2)C(=O)NC(=N3)N)N=O	Ki = 150000 nM	Poor binder
T98397	Thymidylate synthase	B95OQD	2-{4-[(2-Amino-5-{1-[4-hydroxy-5-(hydroxy-methoxy-phosphoryloxymethyl)-tetrahydro-furan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl}-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[3,2-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid	Investigative	136215367	C31H39N8O14P	778.7	COP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)CN3C(CCC4=C3C(=O)NC(=N4)N)CNC5=CC=C(C=C5)C(=O)NC(CCC(=O)O)C(=O)O)O	Ki = 120000 nM	Poor binder
T98397	Thymidylate synthase	B97ETZ	1,1-Bis(3-bromo-4-hydroxy-phenyl)benzo[e]isobenzofuran-3-one	Investigative	16086913	C24H14Br2O4	526.2	C1=CC=C2C(=C1)C=CC3=C2C(OC3=O)(C4=CC(=C(C=C4)O)Br)C5=CC(=C(C=C5)O)Br	Ki ~ 132000 nM	Poor binder
T98397	Thymidylate synthase	B9OC3P	Benzo[f]quinazolin-1(2H)-one, 3-amino-10-nitro-	Investigative	135838210	C12H8N4O3	256.22	C1=CC2=C(C(=C1)[N+](=O)[O-])C3=C(C=C2)N=C(NC3=O)N	IC50 = 79000 nM	Poor binder
T98397	Thymidylate synthase	B9U7HW	[(2R,3S,5R)-3-Hydroxy-5-[5-(4-nitrophenyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate	Investigative	90663731	C15H16N3O10P	429.27	C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C3=CC=C(C=C3)[N+](=O)[O-])COP(=O)(O)O)O	Ki = 58700 nM	Poor binder
T98397	Thymidylate synthase	B9WM4A	Ethyl (3-oxo-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl) carbonate	Investigative	72737238	C14H10O5	258.23	CCOC(=O)OC1=C2C=CC=C3C2=C(C=C1)OC3=O	Ki = 60000 nM	Poor binder
T98397	Thymidylate synthase	B9X5PT	2-Amino-5-phenylthio-6-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one	Investigative	135456707	C13H12N4OS	272.33	CC1=C(C2=C(N1)N=C(NC2=O)N)SC3=CC=CC=C3	IC50 = 60000 nM	Poor binder
T98397	Thymidylate synthase	B9XF5C	1,8-Naphthalein derivative, 11	Investigative	484977	C24H13Cl3O4	471.7	C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3(C4=CC(=C(C=C4)O)Cl)C5=CC(=C(C=C5)O)Cl)Cl	Ki ~ 120000 nM	Poor binder
T98397	Thymidylate synthase	BA5HM8	2-[(3,4,5-Trimethoxy-phenyl)amino]-3-phenyl-5,7-diamino-quinoxaline	Investigative	404585	C23H23N5O3	417.5	COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N	Ki = 51000 nM	Poor binder
T98397	Thymidylate synthase	BB83OH	(2S)-2-{[4-({2-Amino-5-methyl-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-6-yl}sulfanyl)phenyl]formamido}pentanedioic acid	Investigative	135399760	C19H19N5O6S	445.5	CC1=C(NC2=C1C(=O)NC(=N2)N)SC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	IC50 = 100000 nM	Poor binder
T98397	Thymidylate synthase	BBL27Q	3,3-Bis(3-fluoro-4-hydroxy-phenyl)benzo[g]isobenzofuran-1-one	Investigative	16086917	C24H14F2O4	404.4	C1=CC=C2C(=C1)C=CC3=C2C(=O)OC3(C4=CC(=C(C=C4)O)F)C5=CC(=C(C=C5)O)F	Ki ~ 132000 nM	Poor binder
T98397	Thymidylate synthase	BC3D8W	[(2R,3S,5R)-5-[5-(4-Carbamoylphenyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate	Investigative	90663796	C16H18N3O9P	427.3	C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C3=CC=C(C=C3)C(=O)N)COP(=O)(O)O)O	Ki = 119400 nM	Poor binder
T98397	Thymidylate synthase	BD2CL9	2-Methyl-5-[(2-pyridinyl)thio]quinazolin-4(3H)-one	Investigative	135438181	C14H11N3OS	269.32	CC1=NC2=C(C(=CC=C2)SC3=CC=CC=N3)C(=O)N1	Ki = 120000 nM	Poor binder
T98397	Thymidylate synthase	BD3KZ1	5-(4-Nitrophenoxy)acenaphthylene-1,2-dione	Investigative	3513688	C18H9NO5	319.3	C1=CC2=C(C=CC3=C2C(=C1)C(=O)C3=O)OC4=CC=C(C=C4)[N+](=O)[O-]	Ki ~ 98000 nM	Poor binder
T98397	Thymidylate synthase	BD89IK	(S)-2-{[5-(5-Fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphorylamino}-3-phenyl-propionic acid methyl ester	Investigative	44327287	C19H23FN3O9P	487.4	COC(=O)[C@H](CC1=CC=CC=C1)NP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)F)O	IC50 = 190000 nM	Poor binder
T98397	Thymidylate synthase	BD95UZ	Benzo[f]quinazolin-1(2H)-one, 3-amino-5,6-dihydro-7-iodo-	Investigative	135838191	C12H10IN3O	339.13	C1CC2=C(C3=C1C(=CC=C3)I)C(=O)NC(=N2)N	IC50 = 54900 nM	Poor binder
T98397	Thymidylate synthase	BDB8E4	(4S)-4-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid	Investigative	118730360	C40H63N9O15	910	CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)N	IC50 = 57000 nM	Poor binder
T98397	Thymidylate synthase	BDQN65	3-Amino-9-vinylbenzo[f]quinazolin-1(2H)-one	Investigative	135838121	C14H11N3O	237.26	C=CC1=CC2=C(C=C1)C=CC3=C2C(=O)NC(=N3)N	IC50 = 85000 nM	Poor binder
T98397	Thymidylate synthase	BDWY45	Methyl 1-[4-[(2,4-diaminopteridin-6-yl)methyl-(2-hydroxyethyl)amino]benzoyl]piperidine-4-carboxylate	Investigative	59608000	C23H28N8O4	480.5	COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)N(CCO)CC3=CN=C4C(=N3)C(=NC(=N4)N)N	Ki = 64000 nM	Poor binder
T98397	Thymidylate synthase	BE0QM8	2-{4-[(2-Amino-4-oxo-3,4-dihydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-4-(ethoxy-hydroxy-phosphoryl)-butyric acid	Investigative	136046154	C21H25N6O7P	504.4	CCOP(=O)(CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=CC3=C(N=C2)N=C(NC3=O)N)O	IC50 = 100000 nM	Poor binder
T98397	Thymidylate synthase	BERJ32	2-[[4-[[(2-Amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid	Investigative	135887147	C20H24N6O6	444.4	C1C(CNC2=C1C(=O)NC(=N2)N)NCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	IC50 ~ 100000 nM	Poor binder
T98397	Thymidylate synthase	BIS20B	(2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid	Investigative	76318086	C43H71N13O13S	1010.2	CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N	IC50 = 68000 nM	Poor binder
T98397	Thymidylate synthase	BK53XG	(4S)-5-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-5-Amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoic acid	Investigative	118730357	C40H63N9O15S	942	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)N	IC50 = 52000 nM	Poor binder
T98397	Thymidylate synthase	BK57VO	2-{4-[(2-Amino-4-oxo-3,4-dihydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-4-sulfo-butyric acid	Investigative	135887105	C19H20N6O7S	476.5	C1=CC(=CC=C1C(=O)NC(CCS(=O)(=O)O)C(=O)O)NCC2=CC3=C(N=C2)N=C(NC3=O)N	IC50 = 55000 nM	Poor binder
T98397	Thymidylate synthase	BLYE03	Benzo[f]quinazolin-1(2H)-one, 3-amino-7-fluoro-5,6-dihydro-	Investigative	135838100	C12H10FN3O	231.23	C1CC2=C(C3=C1C(=CC=C3)F)C(=O)NC(=N2)N	IC50 = 83600 nM	Poor binder
T98397	Thymidylate synthase	BM1R2K	2-Methyl-5-phenoxy-3H-quinazolin-4-one	Investigative	135410241	C15H12N2O2	252.27	CC1=NC2=C(C(=CC=C2)OC3=CC=CC=C3)C(=O)N1	Ki ~ 100000 nM	Poor binder
T98397	Thymidylate synthase	BM2W4J	1,8-Naphthalein derivative, 9	Investigative	23648073	C24H14I2O4	620.2	C1=CC2=C3C(=C1)C(=O)OC(C3=CC=C2)(C4=CC(=C(C=C4)O)I)C5=CC(=C(C=C5)O)I	Ki ~ 132000 nM	Poor binder
T98397	Thymidylate synthase	BM8TB2	(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoic acid	Investigative	118730359	C46H68N10O12S	985.2	CC(C)C[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)O)N	IC50 = 75000 nM	Poor binder
T98397	Thymidylate synthase	BQW5J6	N-(2,4-Dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)-1,3-benzodioxole-5-carboxamide	Investigative	71520364	C20H11NO6	361.3	C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC4=C5C(=C3)C=CC=C5C(=O)OC4=O	Ki = 57200 nM	Poor binder
T98397	Thymidylate synthase	BR13YO	3-Amino-9-ethynyl-5,6-dihydrobenzo[f]quinazolin-1(2H)-one	Investigative	135838126	C14H11N3O	237.26	C#CC1=CC2=C(CCC3=C2C(=O)NC(=N3)N)C=C1	IC50 = 97000 nM	Poor binder
T98397	Thymidylate synthase	BRC69L	Benzo[f]quinazolin-1(2H)-one, 3-amino-8-chloro-5,6-dihydro-	Investigative	135838197	C12H10ClN3O	247.68	C1CC2=C(C3=C1C=C(C=C3)Cl)C(=O)NC(=N2)N	IC50 = 52500 nM	Poor binder
T98397	Thymidylate synthase	BRT3L7	4-[1-(4-Hydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-benzoic acid methyl ester	Investigative	90663798	C17H19N2O10P	442.3	COC(=O)C1=CC=C(C=C1)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	Ki = 102500 nM	Poor binder
T98397	Thymidylate synthase	BT4MJ9	Benzo[f]quinazolin-1(2H)-one, 3-amino-8-fluoro-5,6-dihydro-	Investigative	135838207	C12H10FN3O	231.23	C1CC2=C(C3=C1C=C(C=C3)F)C(=O)NC(=N2)N	IC50 = 107000 nM	Poor binder
T98397	Thymidylate synthase	BUTS19	3-Amino-8-fluoro-10-aminobenzo[f]quinazolin-1(2H)-one	Investigative	135838218	C12H9FN4O	244.22	C1=CC2=C(C3=C(C=C(C=C31)F)N)C(=O)NC(=N2)N	IC50 = 73800 nM	Poor binder
T98397	Thymidylate synthase	BVF83L	2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]acetic acid	Investigative	118730356	C39H63N13O13S	954.1	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CS)N	Ki = 60000 nM	Poor binder
T98397	Thymidylate synthase	BVH2I8	(R)-2-{4-[(2-Amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)-amino]-benzoylamino}-pentanedioic acid	Investigative	136074288	C20H22N6O6	442.4	CC1=C(C2=C(N1)N=C(NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)O	IC50 = 180000 nM	Poor binder
T98397	Thymidylate synthase	BVZU92	2-[[4-(4-Methyl-1,3-dioxoisoindol-2-yl)benzoyl]amino]acetic acid	Investigative	53392605	C18H14N2O5	338.3	CC1=C2C(=CC=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NCC(=O)O	Ki = 60000 nM	Poor binder
T98397	Thymidylate synthase	BX07EK	2-(4-{[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl)-amino]-methyl}-benzoylamino)-pentanedioic acid	Investigative	9889551	C20H22N6O6	442.4	C1=CC(=CC=C1CNCC2=COC3=NC(=NC(=C23)N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	IC50 = 63000 nM	Poor binder
T98397	Thymidylate synthase	BX51IL	N-(4-((3-(2,4-Diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl)amino)benzoyl)glutamic acid	Investigative	135407589	C19H24N6O6	432.4	C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCCCC2=C(N=C(NC2=O)N)N	IC50 ~ 100000 nM	Poor binder
T98397	Thymidylate synthase	BXOI47	3-Amino-8,10-dinitrobenzo(f)quinazolin-1(2h)-one	Investigative	135838116	C12H7N5O5	301.21	C1=CC2=C(C3=C(C=C(C=C31)[N+](=O)[O-])[N+](=O)[O-])C(=O)NC(=N2)N	IC50 = 145500 nM	Poor binder
T98397	Thymidylate synthase	BXWN67	[(2R,3S,5R)-5-[5-[4-(Dimethylamino)phenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate	Investigative	90663793	C17H22N3O8P	427.3	CN(C)C1=CC=C(C=C1)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	Ki = 66300 nM	Poor binder
T98397	Thymidylate synthase	D0F2VL	3-Amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one	Investigative	135838221	C12H11N3O	213.23	.	IC50 = 127000 nM	Poor binder