TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T93026 Quinone reductase 2 D0M7JT Dabigatran Approved 216210 C25H25N7O3 471.5 CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N Ki = 60000 nM Poor binder T93026 Quinone reductase 2 B1A6RL Tolazine Investigative 101252 C13H10N2 194.23 CC1=CC2=NC3=CC=CC=C3N=C2C=C1 IC50 = 60800 nM Poor binder T93026 Quinone reductase 1 B21ARL 9-Hydroxyanthracene-1,4-dione Investigative 358258 C14H8O3 224.21 C1=CC=C2C(=C1)C=C3C(=O)C=CC(=O)C3=C2O IC50 = 60000 nM Poor binder T93026 Quinone reductase 1 B3Z8SR 3-[4-Di(4,7-dihydroxy-2-oxo-2H-3-chromenyl)methylphenyl(4,7-dihydroxy-2-oxo-2H-3-chromenyl)methyl]-4,7-dihydroxy-2H-2-chromenone Investigative 54680449 C44H26O16 810.7 C1=CC(=CC=C1C(C2=C(C3=C(C=C(C=C3)O)OC2=O)O)C4=C(C5=C(C=C(C=C5)O)OC4=O)O)C(C6=C(C7=C(C=C(C=C7)O)OC6=O)O)C8=C(C9=C(C=C(C=C9)O)OC8=O)O IC50 = 55000 nM Poor binder T93026 Quinone reductase 1 B42WAK 4,5-Dihydro-1H-imidazol-2-yl(10H-indeno[2,3-b]quinoxalin-11-yl)diazene Investigative 438696 C18H14N6 314.3 C1CN=C(N1)N=NC2=C3C(=NC4=CC=CC=C4N3)C5=CC=CC=C52 IC50 = 150000 nM Poor binder T93026 Quinone reductase 1 B5XVJ2 Chembl239843 Investigative 54682817 C39H28O8 624.6 C1=CC=C(C=C1)COC2=CC(=CC(=C2)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O)OCC7=CC=CC=C7 IC50 = 50000 nM Poor binder T93026 Quinone reductase 1 B61QNU 4-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine Investigative 219751 C6H5ClN4 168.58 CN1C2=C(C=N1)C(=NC=N2)Cl IC50 = 105000 nM Poor binder T93026 Quinone reductase 1 B8I9FS Diethyl-[3-[(8-methoxy-11H-indolo[3,2-c]quinolin-6-yl)amino]propyl]amine;hydrochloride Investigative 379560 C23H28N4O 376.5 CCN(CC)CCCNC1=NC2=CC=CC=C2C3=C1C4=C(N3)C=CC(=C4)OC IC50 = 90000 nM Poor binder T93026 Quinone reductase 2 B9KEG6 Casimiroin Investigative 124075 C12H11NO4 233.22 CN1C(=O)C=C(C2=C1C3=C(C=C2)OCO3)OC IC50 = 54100 nM Poor binder T93026 Quinone reductase 1 BAE95M [Acetyl(methylcarbamoyl)amino] carbamate Investigative 44420345 C5H9N3O4 175.14 CC(=O)N(C(=O)NC)OC(=O)N IC50 = 55000 nM Poor binder T93026 Quinone reductase 1 BBW18J Symmetric dicoumarol analogue, 9 Investigative 54736427 C19H8Br4O6 651.9 C1=C(C=C(C2=C1C(=C(C(=O)O2)CC3=C(C4=C(C(=CC(=C4)Br)Br)OC3=O)O)O)Br)Br IC50 = 63000 nM Poor binder T93026 Quinone reductase 1 BCXO31 6-Benzyl-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione Investigative 5387854 C27H17N3O2 415.4 C1=CC=C(C=C1)CN2C(=O)C3=C4C5=CC=CC=C5NC4=C6C(=C3C2=O)C7=CC=CC=C7N6 IC50 = 90000 nM Poor binder T93026 Quinone reductase 1 BH7A1X 5-(1-Methyl-2-(3,4,5-trimethoxyphenyl)vinyl)-1,3-benzodioxole Investigative 5351406 C19H20O5 328.4 C/C(=C\\C1=CC(=C(C(=C1)OC)OC)OC)/C2=CC3=C(C=C2)OCO3 IC50 = 55000 nM Poor binder T93026 Quinone reductase 2 BLK29N N-[(5-Methoxy-2-oxospiro[1H-indole-3,3'-bicyclo[2.2.1]heptane]-2'-yl)methyl]acetamide Investigative 137651399 C18H22N2O3 314.4 CC(=O)NCC1C2CCC(C2)C13C4=C(C=CC(=C4)OC)NC3=O IC50 = 63000 nM Poor binder T93026 Quinone reductase 1 BM89SZ 1,2,3-Trimethoxyphenanthro[2,3-d][1,3]dioxol-6-yl acetate Investigative 372797 C20H18O7 370.4 CC(=O)OC1=C2C=C3C(=CC2=C4C(=C1)C=C(C(=C4OC)OC)OC)OCO3 IC50 = 70000 nM Poor binder T93026 Quinone reductase 1 BN8Y1K 4-Hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-[4-[(E)-styryl]phenyl]methyl]chromen-2-one Investigative 54685683 C33H22O6 514.5 C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O IC50 = 60000 nM Poor binder T93026 Quinone reductase 2 BR5X6H Dimethyl 7-acetamido-5-chloroquinoline-2,4-dicarboxylate Investigative 56945978 C15H13ClN2O5 336.72 CC(=O)NC1=CC2=C(C(=CC(=N2)C(=O)OC)C(=O)OC)C(=C1)Cl IC50 ~ 100000 nM Poor binder T93026 Quinone reductase 1 BS09RV 3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-phenyl-methyl]-4,7-dihydroxy-chromen-2-one Investigative 54680450 C25H16O8 444.4 C1=CC=C(C=C1)C(C2=C(C3=C(C=C(C=C3)O)OC2=O)O)C4=C(C5=C(C=C(C=C5)O)OC4=O)O IC50 = 82000 nM Poor binder T93026 Quinone reductase 1 BT38IE 2-[[4-[2-(Dimethylamino)ethyl-methylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]-N,N-dimethylethanamine oxide Investigative 44420464 C23H30N4O5 442.5 CN(C)CCN(C)C1=C2C(=C(C=C1)NCC[N+](C)(C)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)O IC50 = 95000 nM Poor binder T93026 Quinone reductase 1 D00OTC NSC-381864 Investigative 5385086 C17H18O4 286.32 COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)OC)O IC50 = 80000 nM Poor binder