TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T33492 Tyrosyl-DNA phosphodiesterase 1 D05JNI Framycetin Approved 8378 C23H46N6O13 614.6 C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N IC50 = 8000000 nM Non binder T33492 Tyrosyl-DNA phosphodiesterase 1 D0GZ7B AG490 Terminated 5328779 C17H14N2O3 294.3 C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N IC50 > 333000 nM Non binder T33492 Tyrosyl-DNA phosphodiesterase 1 B0MWH8 4-[(Z)-(5-Oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoic acid Investigative 71449815 C17H12N2O3S 324.4 C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/NC2=S IC50 > 333000 nM Non binder T33492 Tyrosyl-DNA phosphodiesterase 1 B2BWX3 2-Cyano-3-(4-fluorophenyl)-2-propenethioamide Investigative 766914 C10H7FN2S 206.24 C1=CC(=CC=C1/C=C(\\C#N)/C(=S)N)F IC50 > 333000 nM Non binder T33492 Tyrosyl-DNA phosphodiesterase 1 B32TKP 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-, (E)- Investigative 1652110 C10H7BrN2S 267.15 C1=CC(=CC=C1/C=C(\\C#N)/C(=S)N)Br IC50 > 333000 nM Non binder T33492 Tyrosyl-DNA phosphodiesterase 1 B3A0DI Achromycin Investigative 54685734 C22H24N2O8 444.4 CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O IC50 = 785000 nM Non binder T33492 Tyrosyl-DNA phosphodiesterase 1 B59HCU N-[4-[(E)-3-Amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl]acetamide Investigative 685482 C12H11N3OS 245.3 CC(=O)NC1=CC=C(C=C1)/C=C(\\C#N)/C(=S)N IC50 > 333000 nM Non binder T33492 Tyrosyl-DNA phosphodiesterase 1 B6PM4E 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)-, (E)- Investigative 726820 C10H7N3O2S 233.25 C1=CC(=CC=C1/C=C(\\C#N)/C(=S)N)[N+](=O)[O-] IC50 > 333000 nM Non binder T33492 Tyrosyl-DNA phosphodiesterase 1 B6X4UD (5Z)-5-[(4-Fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione Investigative 1239884 C10H6FNO2S 223.23 C1=CC(=CC=C1/C=C\\2/C(=O)NC(=O)S2)F IC50 > 333000 nM Non binder T33492 Tyrosyl-DNA phosphodiesterase 1 BDTK58 5-(4-Fluoro-benzylidene)-3-phenyl-2-thioxo-imidazolidin-4-one Investigative 5411062 C16H11FN2OS 298.3 C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)F)/NC2=S IC50 > 333000 nM Non binder T33492 Tyrosyl-DNA phosphodiesterase 1 BF2T4A 2-Cyano-3-(2-naphthyl)thioacrylamide Investigative 6211778 C14H10N2S 238.31 C1=CC=C2C=C(C=CC2=C1)/C=C(\\C#N)/C(=S)N IC50 > 333000 nM Non binder T33492 Tyrosyl-DNA phosphodiesterase 1 BFX13C (5Z)-5-[(2,3-Dihydroxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one Investigative 136236295 C10H7NO3S2 253.3 C1=CC(=C(C(=C1)O)O)/C=C\\2/C(=S)NC(=O)S2 IC50 = 220000 nM Non binder T33492 Tyrosyl-DNA phosphodiesterase 1 BH2LF1 Sodium;2-[(Z)-(2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate Investigative 71453458 C11H6NNaO3S2 287.3 C1=CC=C(C(=C1)/C=C\\2/C(=S)NC(=O)S2)C(=O)[O-].[Na+] IC50 = 280000 nM Non binder T33492 Tyrosyl-DNA phosphodiesterase 1 BLT27Q (E)-2-Cyano-3-(1H-indol-5-yl)prop-2-enethioamide Investigative 71456962 C12H9N3S 227.29 C1=CC2=C(C=CN2)C=C1/C=C(\\C#N)/C(=S)N IC50 > 333000 nM Non binder T33492 Tyrosyl-DNA phosphodiesterase 1 BPU0X5 4-[(Z)-(3-Benzyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoic acid Investigative 71453461 C18H14N2O3S 338.4 C1=CC=C(C=C1)CN2/C(=C\\C3=CC=C(C=C3)C(=O)O)/C(=O)NC2=S IC50 > 333000 nM Non binder T33492 Tyrosyl-DNA phosphodiesterase 1 BYG96Q (E)-2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid Investigative 5328793 C10H7NO4 205.17 C1=CC(=C(C=C1/C=C(\\C#N)/C(=O)O)O)O IC50 > 333000 nM Non binder T33492 Tyrosyl-DNA phosphodiesterase 1 D01NTW 2-cyano-3-(3,4-dihydroxyphenyl)acrylamide Investigative 5328768 C10H8N2O3 204.18 C1=CC(=C(C=C1/C=C(\\C#N)/C(=O)N)O)O IC50 > 333000 nM Non binder T33492 Tyrosyl-DNA phosphodiesterase 1 D02BUW 2-(3,4,5-Trihydroxy-benzylidene)-malononitrile Investigative 2061 C10H6N2O3 202.17 C1=C(C=C(C(=C1O)O)O)C=C(C#N)C#N IC50 > 333000 nM Non binder