TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T83145 Nuclear factor NF-kappa-B B02QHU (1E,6E)-1,7-Bis(3-fluoro-4-hydroxy-5-methoxyphenyl)hepta-1,6-diene-3,5-dione Investigative 71571581 C21H18F2O6 404.4 COC1=C(C(=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C(=C2)F)O)OC)F)O IC50 ~ 50000 nM Poor binder T83145 Nuclear factor NF-kappa-B B0IQ5T N-Ethyl-2-(3,4,5-trimethoxyphenyl)-7-methoxy-2H-1-benzopyran-3-carboxamide Investigative 44346900 C22H25NO6 399.4 CCNC(=O)C1=CC2=C(C=C(C=C2)OC)OC1C3=CC(=C(C(=C3)OC)OC)OC IC50 ~ 50000 nM Poor binder T83145 Nuclear factor NF-kappa-B B1R9WN Tetrahydrocurcumin Investigative 124072 C21H24O6 372.4 COC1=C(C=CC(=C1)CCC(=O)CC(=O)CCC2=CC(=C(C=C2)O)OC)O IC50 ~ 50000 nM Poor binder T83145 Nuclear factor NF-kappa-B B4H0DC N-Isopropyl-2-(3,4,5-trimethoxyphenyl)-7-methoxy-2H-1-benzopyran-3-carboxamide Investigative 44346831 C23H27NO6 413.5 CC(C)NC(=O)C1=CC2=C(C=C(C=C2)OC)OC1C3=CC(=C(C(=C3)OC)OC)OC IC50 ~ 50000 nM Poor binder T83145 Nuclear factor NF-kappa-B B8JD2P N-Methyl-2-(3,4,5-trimethoxyphenyl)-7-methoxy-2H-1-benzopyran-3-carboxamide Investigative 44346867 C21H23NO6 385.4 CNC(=O)C1=CC2=C(C=C(C=C2)OC)OC1C3=CC(=C(C(=C3)OC)OC)OC IC50 ~ 50000 nM Poor binder T83145 Nuclear factor NF-kappa-B B8N1RP 4-Anilinocyclopent-2-enone Investigative 58602374 C11H11NO 173.21 C1C(C=CC1=O)NC2=CC=CC=C2 IC50 = 57000 nM Poor binder T83145 Nuclear factor NF-kappa-B BB1M6I N-(3,5-Dichlorophenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide Investigative 90675815 C20H15Cl2NO2 372.2 C1CC2=C(C3=CC=CC=C3C=C2)OC1C(=O)NC4=CC(=CC(=C4)Cl)Cl IC50 = 96700 nM Poor binder T83145 Nuclear factor NF-kappa-B BDUZ24 2-(3,4,5-Trimethoxyphenyl)-7-methoxy-2H-1-benzopyran-3-carboxamide Investigative 44346868 C20H21NO6 371.4 COC1=CC2=C(C=C1)C=C(C(O2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)N IC50 ~ 50000 nM Poor binder T83145 Nuclear factor NF-kappa-B BG8IP7 N-[3,5-Bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide Investigative 90675816 C22H15F6NO2 439.3 C1CC2=C(C3=CC=CC=C3C=C2)OC1C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F IC50 = 63800 nM Poor binder T83145 Nuclear factor NF-kappa-B BH10AD Tert-butyl N-(4-oxocyclopent-2-en-1-yl)carbamate Investigative 11579293 C10H15NO3 197.23 CC(C)(C)OC(=O)NC1CC(=O)C=C1 IC50 = 52000 nM Poor binder T83145 Nuclear factor NF-kappa-B BI79KN 4-[(E)-2-[3-[(E)-2-[4-Hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-2-methoxy-6-(3-methylbut-2-enyl)phenol Investigative 136504263 C31H36N2O4 500.6 CC(=CCC1=C(C(=CC(=C1)/C=C/C2=CC(=NN2)/C=C/C3=CC(=C(C(=C3)OC)O)CC=C(C)C)OC)O)C IC50 ~ 50000 nM Poor binder T83145 Nuclear factor NF-kappa-B BK3UH5 [(5R,5As,9R,9aR,9bR)-9,9b-dihydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] hexanoate Investigative 90643507 C21H32O6 380.5 CCCCCC(=O)O[C@@H]1C=C2COC(=O)[C@@]2([C@@]3([C@@H]1C(CC[C@H]3O)(C)C)C)O IC50 = 68400 nM Poor binder T83145 Nuclear factor NF-kappa-B BRM85Z 2-(3,4,5-Trimethoxyphenyl)-7-methoxy-2H-1-benzopyran-3-carboxylic acid Investigative 44346695 C20H20O7 372.4 COC1=CC2=C(C=C1)C=C(C(O2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)O IC50 ~ 50000 nM Poor binder T83145 Nuclear factor NF-kappa-B BT0JD6 2-(3,4,5-Trimethoxyphenyl)-7-methoxy-2H-1-benzopyran-3-methanol Investigative 44346701 C20H22O6 358.4 COC1=CC2=C(C=C1)C=C(C(O2)C3=CC(=C(C(=C3)OC)OC)OC)CO IC50 ~ 50000 nM Poor binder T83145 Nuclear factor NF-kappa-B BT25QS N,N-Dimethyl 2-(3,4,5-trimethoxyphenyl)-7-methoxy-2H-1-benzopyran-3-carboxamide Investigative 44346696 C22H25NO6 399.4 CN(C)C(=O)C1=CC2=C(C=C(C=C2)OC)OC1C3=CC(=C(C(=C3)OC)OC)OC IC50 ~ 50000 nM Poor binder T83145 Nuclear factor NF-kappa-B BT4IQ9 N-(3,4-Dihydro-2H-benzo[h]chromen-2-ylmethyl)-3,5-bis(trifluoromethyl)aniline Investigative 90675822 C22H17F6NO 425.4 C1CC2=C(C3=CC=CC=C3C=C2)OC1CNC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F IC50 = 56300 nM Poor binder T83145 Nuclear factor NF-kappa-B BT5FW6 1,7-Bis[3-methoxy-4-hydroxy-5-(3-methyl-2-butenyl)phenyl]-1,6-heptadiene-3,5-dione Investigative 73348950 C31H36O6 504.6 CC(=CCC1=C(C(=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C(=C2)OC)O)CC=C(C)C)OC)O)C IC50 ~ 50000 nM Poor binder T83145 Nuclear factor NF-kappa-B BTQ0F9 2-(3,4,5-Trimethoxyphenyl)-3-(piperidinocarbonyl)-7-methoxy-2H-1-benzopyran Investigative 44346698 C25H29NO6 439.5 COC1=CC2=C(C=C1)C=C(C(O2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)N4CCCCC4 IC50 ~ 50000 nM Poor binder T83145 Nuclear factor NF-kappa-B BVJG97 N-(3,4-Dihydro-2H-benzo[h]chromen-2-ylmethyl)-3-methylbutanamide Investigative 90675826 C19H23NO2 297.4 CC(C)CC(=O)NCC1CCC2=C(O1)C3=CC=CC=C3C=C2 IC50 = 56300 nM Poor binder