TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T72491 Keap1-Nrf2[dual DLG and ETGE] PPI B0SY5C (1R,2S)-2-[(1R)-1-[(1,3-Dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclohexane-1-carboxylic acid Investigative 40482358 C26H26N2O5 446.5 C1CC[C@H]([C@H](C1)C(=O)N2CCC3=CC=CC=C3[C@@H]2CN4C(=O)C5=CC=CC=C5C4=O)C(=O)O EC50 ~ 100000 nM Poor binder T72491 Keap1-Nrf2[dual DLG and ETGE] PPI B3M4QT Chembl4176009 Investigative 145974303 C24H27NO3 377.5 C1CC[C@@H]([C@@H](C1)C(=O)N2CCC3=CC=CC=C3[C@H]2CC4=CC=CC=C4)C(=O)O IC50 ~ 100000 nM Poor binder T72491 Keap1-Nrf2[dual DLG and ETGE] PPI B46YPN Chembl4165400 Investigative 145955145 C25H25N3O5 447.5 C1C[C@H]([C@H](NC1)C(=O)O)C(=O)N2CCC3=CC=CC=C3[C@H]2CN4C(=O)C5=CC=CC=C5C4=O IC50 = 69700 nM Poor binder T72491 Keap1-Nrf2[dual DLG and ETGE] PPI B6E4NJ 2-({5-[(2,4-Dimethylphenyl)sulfonyl]-6-Oxo-1,6-Dihydropyrimidin-2-Yl}sulfanyl)-N-[2-(Trifluoromethyl)phenyl]acetamide Investigative 50744391 C21H18F3N3O4S2 497.5 CC1=CC(=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=CC=CC=C3C(F)(F)F)C EC50 = 118000 nM Poor binder T72491 Keap1-Nrf2[dual DLG and ETGE] PPI B7CM2I 2-[[(1S)-2-(Cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Investigative 1070170 C25H26N2O3 402.5 C1CCC(CC1)C(=O)N2CCC3=CC=CC=C3[C@H]2CN4C(=O)C5=CC=CC=C5C4=O IC50 ~ 100000 nM Poor binder T72491 Keap1-Nrf2[dual DLG and ETGE] PPI BG2U5P (1S,2R)-2-[(1S)-1-[(1,3-Dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclohexane-1-carboxylic acid Investigative 3307826 C26H26N2O5 446.5 C1CCC(C(C1)C(=O)N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O)C(=O)O EC50 ~ 100000 nM Poor binder