TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T59929 Thymidine phosphorylase B0SCT4 5-Amino-1-(5-O-trityl-beta-D-ribofuranosyl)imidazole-4-(N-methyl)carboxamide Investigative 16082778 C29H30N4O5 514.6 CNC(=O)C1=C(N(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O)O)N IC50 = 137000 nM Poor binder T59929 Thymidine phosphorylase B0Y5WM N-Allyl-N'-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]thiourea Investigative 135423677 C9H10N4O3S 254.27 C=CCNC(=S)/N=C/C1=C(NC(=O)NC1=O)O IC50 = 94800 nM Poor binder T59929 Thymidine phosphorylase B0YV2R [(E)-(1-Methyl-2,5-dioxo-4-pentylimidazolidin-4-yl)methylideneamino]urea Investigative 9561607 C11H19N5O3 269.3 CCCCCC1(C(=O)N(C(=O)N1)C)/C=N/NC(=O)N IC50 = 77000 nM Poor binder T59929 Thymidine phosphorylase B17CDS 2-Phenyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione Investigative 136233532 C10H7N5O2 229.19 C1=CC=C(C=C1)C2=NN3C(=N2)NC(=O)NC3=O IC50 ~ 100000 nM Poor binder T59929 Thymidine phosphorylase B1F0YA 1-[(2-Methoxyethoxy)methyl]-5''-O-tritylinosine Investigative 16082765 C33H34N4O7 598.6 COCCOCN1C=NC2=C(C1=O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O)O IC50 ~ 100000 nM Poor binder T59929 Thymidine phosphorylase B1SU0K 5''-O-Trityl-2''deoxyinosine Investigative 135541548 C29H26N4O4 494.5 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O IC50 = 96000 nM Poor binder T59929 Thymidine phosphorylase B28DHT 5-[(1,3-Dihydroxypropan-2-ylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile Investigative 72711418 C11H15N3O4 253.25 CC1=C(C(=O)NC(=C1CNC(CO)CO)O)C#N IC50 ~ 100000 nM Poor binder T59929 Thymidine phosphorylase B2QBG4 5-Chloro-6-[(4'-nitroimidazol-1'-yl)methyl]uracil Investigative 11219482 C8H6ClN5O4 271.62 C1=C(N=CN1CC2=C(C(=O)NC(=O)N2)Cl)[N+](=O)[O-] IC50 = 200000 nM Poor binder T59929 Thymidine phosphorylase B2U5PI 7-(3-Benzylguanidino)-1,2,3,4-tetrahydrothieno[3,2-d]pyrimidine-2,4-dione Investigative 10470961 C14H13N5O2S 315.35 C1=CC=C(C=C1)CN=C(N)NC2=CSC3=C2NC(=O)NC3=O Ki = 64300 nM Poor binder T59929 Thymidine phosphorylase B4GHE3 6-[(3-Phenylpropyl)amino]uracil Investigative 309829 C13H15N3O2 245.28 C1=CC=C(C=C1)CCCNC2=CC(=O)NC(=O)N2 IC50 = 82000 nM Poor binder T59929 Thymidine phosphorylase B51DUE 3-[(2-Methylphenyl)methyl]isochromen-1-one Investigative 134131196 C17H14O2 250.29 CC1=CC=CC=C1CC2=CC3=CC=CC=C3C(=O)O2 IC50 = 61000 nM Poor binder T59929 Thymidine phosphorylase B5T2HG 5-Amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-N-(2-methoxyethoxymethyl)imidazole-4-carboxamide Investigative 16082771 C32H36N4O7 588.6 COCCOCNC(=O)C1=C(N(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O)O)N IC50 ~ 75000 nM Poor binder T59929 Thymidine phosphorylase B67BWO Chembl4292894 Investigative 145987666 C13H13N3O3 259.26 CC1=CC(=O)NC(=O)N1/C(=N/OC)/C2=CC=CC=C2 IC50 = 85600 nM Poor binder T59929 Thymidine phosphorylase B6D1VA 5'-O-Tritylinosine Investigative 135526599 C29H26N4O5 510.5 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CNC6=O)O)O IC50 = 67000 nM Poor binder T59929 Thymidine phosphorylase B6N8BQ 4-[(7-Oxo-5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl)methyl]benzonitrile Investigative 72374616 C12H8N6OS 284.3 C1=CC(=CC=C1CC2=NC3=NC(=S)NC(=O)N3N2)C#N IC50 = 64330 nM Poor binder T59929 Thymidine phosphorylase B6NI8L Acetic acid;2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-7-yl)guanidine Investigative 49795955 C9H11N5O4S 285.28 CC(=O)O.C1=C(C2=C(S1)C(=O)NC(=O)N2)N=C(N)N Ki = 76000 nM Poor binder T59929 Thymidine phosphorylase B6TF7E 2,6-Dihydroxy-4-methyl-3-pyridinecarbonitrile Investigative 79516 C7H6N2O2 150.13 CC1=CC(=O)NC(=C1C#N)O IC50 ~ 100000 nM Poor binder T59929 Thymidine phosphorylase B7R5TK 5-Chloro-6-(2-nitro-imidazol-1-ylmethyl)-1H-pyrimidine-2,4-dione Investigative 11022009 C8H6ClN5O4 271.62 C1=CN(C(=N1)[N+](=O)[O-])CC2=C(C(=O)NC(=O)N2)Cl IC50 = 115000 nM Poor binder T59929 Thymidine phosphorylase B7TDY2 4-Amino-1-(2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-ylmethyl)-3H-imidazol-1-ium Investigative 11334014 C8H10N5O2+ 208.2 C1=C(NC(=O)NC1=O)C[N+]2=CNC(=C2)N IC50 = 143000 nM Poor binder T59929 Thymidine phosphorylase B7VT6P 5-[(Dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile Investigative 13115629 C10H13N3O2 207.23 CC1=C(C(=O)NC(=C1CN(C)C)O)C#N IC50 ~ 100000 nM Poor binder T59929 Thymidine phosphorylase B80VOD [8-[(4-Cyanophenyl)methyl]-4-oxo-2-sulfanylidene-6H-pyrazolo[1,5-a][1,3,5]triazin-7-yl]thiourea Investigative 90654810 C14H11N7OS2 357.4 C1=CC(=CC=C1CC2=C(NN3C2=NC(=S)NC3=O)NC(=S)N)C#N IC50 = 51522.86 nM Poor binder T59929 Thymidine phosphorylase B8CL5J 5-Bromo-6-(4-nitro-imidazol-1-ylmethyl)-1H-pyrimidine-2,4-dione Investigative 11336042 C8H6BrN5O4 316.07 C1=C(N=CN1CC2=C(C(=O)NC(=O)N2)Br)[N+](=O)[O-] IC50 = 181000 nM Poor binder T59929 Thymidine phosphorylase B92JHT Chembl4277363 Investigative 145985840 C11H7FIN3O3 375.09 C1=CC=C(C(=C1)/C(=N\\O)/N2C=C(C(=O)NC2=O)I)F IC50 = 53700 nM Poor binder T59929 Thymidine phosphorylase B93CDN 5-[(2,3-Dihydroxypropylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile Investigative 72711419 C11H15N3O4 253.25 CC1=C(C(=O)NC(=C1CNCC(CO)O)O)C#N IC50 ~ 100000 nM Poor binder T59929 Thymidine phosphorylase BA0BV6 6-(4-Phenylbutylamino)uracil Investigative 309844 C14H17N3O2 259.3 C1=CC=C(C=C1)CCCCNC2=CC(=O)NC(=O)N2 IC50 = 74000 nM Poor binder T59929 Thymidine phosphorylase BA5Q1U 2,4(1H,3H)-Pyrimidinedione, 6-[(2-phenylethyl)amino]- Investigative 308653 C12H13N3O2 231.25 C1=CC=C(C=C1)CCNC2=CC(=O)NC(=O)N2 IC50 = 148000 nM Poor binder T59929 Thymidine phosphorylase BBWL48 [8-[(4-Methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-6H-pyrazolo[1,5-a][1,3,5]triazin-7-yl]thiourea Investigative 90654820 C14H14N6O2S2 362.4 COC1=CC=C(C=C1)CC2=C(NN3C2=NC(=S)NC3=O)NC(=S)N IC50 = 51404.37 nM Poor binder T59929 Thymidine phosphorylase BF8K7I 2,6-Dihydroxy-3-cyanopyridine Investigative 100608 C6H4N2O2 136.11 C1=CC(=O)NC(=C1C#N)O IC50 ~ 100000 nM Poor binder T59929 Thymidine phosphorylase BO3C7X 5-Bromo-6-[(2'-nitroimidazol-1'-yl)methyl]uracil Investigative 10358357 C8H6BrN5O4 316.07 C1=CN(C(=N1)[N+](=O)[O-])CC2=C(C(=O)NC(=O)N2)Br IC50 = 160000 nM Poor binder T59929 Thymidine phosphorylase BPY46S Chembl4287578 Investigative 11160569 C12H10N2O3 230.22 CC1=CC(=O)NC(=O)N1C(=O)C2=CC=CC=C2 IC50 = 92400 nM Poor binder T59929 Thymidine phosphorylase BQ0VU1 6-Hydroxy-5-[(2-hydroxyethylamino)methyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile Investigative 72711417 C10H13N3O3 223.23 CC1=C(C(=O)NC(=C1CNCCO)O)C#N IC50 ~ 100000 nM Poor binder T59929 Thymidine phosphorylase BR84EO 2-Benzyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione Investigative 136233533 C11H9N5O2 243.22 C1=CC=C(C=C1)CC2=NN3C(=N2)NC(=O)NC3=O IC50 ~ 100000 nM Poor binder T59929 Thymidine phosphorylase BUEL58 3-[[2-[(2S,3R,4R,5S,6R)-6-(Benzoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyphenyl]methoxy]-2-hydroxybenzoic acid Investigative 134131292 C27H26O12 542.5 C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@H]([C@@H](O2)OC3=C(C=C(C=C3)O)COC4=CC=CC(=C4O)C(=O)O)O)O)O IC50 = 65450 nM Poor binder T59929 Thymidine phosphorylase BUQ97X 7-Tert-butyl-2-sulfanylidene-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one Investigative 71741142 C9H12N4OS 224.29 CC(C)(C)C1=CC2=NC(=S)NC(=O)N2N1 IC50 = 55700 nM Poor binder