TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T22976 Thymidine kinase 2 B2WJ0Z 1-(2''-O-Octanoyl-beta-D-arabinofuranosyl)thymine Investigative 44437450 C18H28N2O7 384.4 CCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)CO)O IC50 = 120000 nM Poor binder T22976 Thymidine kinase 2 B6H4SL 1-(2''-O-Phenylacetyl-beta-D-arabinofuranosyl)-5(E)-(2-bromovinyl)uracil Investigative 44437456 C19H19BrN2O7 467.3 C1=CC=C(C=C1)CC(=O)O[C@H]2[C@@H]([C@H](O[C@H]2N3C=C(C(=O)NC3=O)/C=C/Br)CO)O IC50 = 74000 nM Poor binder T22976 Thymidine kinase 2 B73MFB Decanoic acid 2-[5-((E)-2-bromo-vinyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl ester Investigative 10097595 C21H31BrN2O7 503.4 CCCCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Br)CO)O IC50 = 97000 nM Poor binder T22976 Thymidine kinase 2 BDGH60 [(2R,3S,4R,5R)-2-[5-[(E)-2-Bromoethenyl]-2,4-dioxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Investigative 44437474 C22H32BrN3O9 562.4 CC(C)(C)OC(=O)NCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Br)CO)O IC50 = 61000 nM Poor binder T22976 Thymidine kinase 2 BQI8J1 5-Methyl-1-[(Z)-4-[(1-methylpyridin-1-ium-4-yl)-diphenylmethoxy]but-2-enyl]pyrimidine-2,4-dione;iodide Investigative 16098869 C28H28IN3O3 581.4 CC1=CN(C(=O)NC1=O)C/C=C\\COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=[N+](C=C4)C.[I-] IC50 = 114000 nM Poor binder T22976 Thymidine kinase 2 BQS6V4 1-(4-Hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione Investigative 44437453 C18H30N2O6 370.4 CCCCCCCCO[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)CO)O IC50 = 120000 nM Poor binder T22976 Thymidine kinase 2 BV6K8F 1-[2''-O-(4-Aminobutanoyl)-beta-D-arabinofuranosyl]-5(E)-(2-bromovinyl)uracil Investigative 44437477 C15H20BrN3O7 434.24 C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)OC(=O)CCCN)/C=C/Br IC50 = 187000 nM Poor binder T22976 Thymidine kinase 2 BYB45J [(2R,3S,4R,5R)-2-[5-[(E)-2-Bromoethenyl]-2,4-dioxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Investigative 44437473 C20H28BrN3O9 534.4 CC(C)(C)OC(=O)NCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Br)CO)O IC50 = 55000 nM Poor binder