TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T32137 NADPH oxidase 1 B0EDY7 (1R,8S,10S)-9-(1,3-Benzodioxol-5-ylmethyl)-3-bromo-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene Investigative 118718020 C25H28BrNO2 454.4 CC(=C)C[C@H]1[C@H]2C3=C(C=CC=C3Br)[C@@H](N1CC4=CC5=C(C=C4)OCO5)CC2(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 4 B0EDY7 (1R,8S,10S)-9-(1,3-Benzodioxol-5-ylmethyl)-3-bromo-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene Investigative 118718020 C25H28BrNO2 454.4 CC(=C)C[C@H]1[C@H]2C3=C(C=CC=C3Br)[C@@H](N1CC4=CC5=C(C=C4)OCO5)CC2(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 1 B0QXJ4 (5Z)-5-[(2,3-Dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one Investigative 127045569 C18H16N2O3S 340.4 CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(C(=CC=C3)O)O)/N(C2=S)C Ki = 50300 nM Poor binder T32137 NADPH oxidase 1 B5QM1U (1R,8S,10S)-3,6-Dibromo-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene Investigative 1014304 C17H21Br2N 399.2 CC(=C)C[C@H]1[C@H]2C3=C(C=CC(=C3[C@@H](N1)CC2(C)C)Br)Br IC50 = 60000 nM Poor binder T32137 NADPH oxidase 4 B5S1QE (1R,8S,10S)-3-Bromo-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene Investigative 1226613 C17H22BrN 320.3 CC(=C)C[C@H]1[C@H]2C3=C(C=CC=C3Br)[C@@H](N1)CC2(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 1 B6IH9K (1R,8S,10S)-3-Bromo-9-[(3-fluorophenyl)methyl]-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene Investigative 118718025 C24H27BrFN 428.4 CC(=C)C[C@H]1[C@H]2C3=C(C=CC=C3Br)[C@@H](N1CC4=CC(=CC=C4)F)CC2(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 4 B6IH9K (1R,8S,10S)-3-Bromo-9-[(3-fluorophenyl)methyl]-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene Investigative 118718025 C24H27BrFN 428.4 CC(=C)C[C@H]1[C@H]2C3=C(C=CC=C3Br)[C@@H](N1CC4=CC(=CC=C4)F)CC2(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 1 B90QAX (1R,8S,10S)-9-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4-dichlorophenyl)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene Investigative 118718039 C31H31Cl2NO2 520.5 CC(=C)C[C@H]1[C@H]2C3=C(C=CC=C3[C@@H](N1CC4=CC5=C(C=C4)OCO5)CC2(C)C)C6=CC(=C(C=C6)Cl)Cl IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 1 BB8Y4U (1R,8S,10S)-3-Bromo-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-(thiophen-3-ylmethyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene Investigative 127024185 C22H26BrNS 416.4 CC(=C)C[C@H]1[C@H]2C3=C(C=CC=C3Br)[C@@H](N1CC4=CSC=C4)CC2(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 1 BD3V6I (1R,8S,10S)-3-Bromo-9-(1H-indol-3-ylmethyl)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene Investigative 118718012 C26H29BrN2 449.4 CC(=C)C[C@H]1[C@H]2C3=C(C=CC=C3Br)[C@@H](N1CC4=CNC5=CC=CC=C54)CC2(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 1 BGN4K6 (1R,8S,10S)-3-Bromo-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-(quinolin-4-ylmethyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene Investigative 118718011 C27H29BrN2 461.4 CC(=C)C[C@H]1[C@H]2C3=C(C=CC=C3Br)[C@@H](N1CC4=CC=NC5=CC=CC=C45)CC2(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 1 BKM31W 3-[[(1R,8S,10S)-3-Bromo-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-yl]methyl]-5-methyl-1,2-oxazole Investigative 118718021 C22H27BrN2O 415.4 CC1=CC(=NO1)CN2[C@H]3CC([C@@H]([C@@H]2CC(=C)C)C4=C3C=CC=C4Br)(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 4 BKM31W 3-[[(1R,8S,10S)-3-Bromo-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-yl]methyl]-5-methyl-1,2-oxazole Investigative 118718021 C22H27BrN2O 415.4 CC1=CC(=NO1)CN2[C@H]3CC([C@@H]([C@@H]2CC(=C)C)C4=C3C=CC=C4Br)(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 1 BLUZ80 (1R,8S,10S)-3-Bromo-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-pentyl-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene Investigative 118718026 C22H32BrN 390.4 CCCCCN1[C@H]2CC([C@@H]([C@@H]1CC(=C)C)C3=C2C=CC=C3Br)(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 4 BLUZ80 (1R,8S,10S)-3-Bromo-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-pentyl-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene Investigative 118718026 C22H32BrN 390.4 CCCCCN1[C@H]2CC([C@@H]([C@@H]1CC(=C)C)C3=C2C=CC=C3Br)(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 1 BLWB78 (1R,8S,10S)-11,11-Dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene Investigative 7233583 C17H23N 241.37 CC(=C)C[C@H]1[C@H]2C3=CC=CC=C3[C@@H](N1)CC2(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 1 BO1WY2 (1R,8S,10S)-3-(3,4-Dichlorophenyl)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene Investigative 86301661 C23H25Cl2N 386.4 CC(=C)C[C@H]1[C@H]2C3=C(C=CC=C3[C@@H](N1)CC2(C)C)C4=CC(=C(C=C4)Cl)Cl IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 4 BO1WY2 (1R,8S,10S)-3-(3,4-Dichlorophenyl)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene Investigative 86301661 C23H25Cl2N 386.4 CC(=C)C[C@H]1[C@H]2C3=C(C=CC=C3[C@@H](N1)CC2(C)C)C4=CC(=C(C=C4)Cl)Cl IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 1 BPOU20 (1R,8S,10S)-9-[(3-Fluorophenyl)methyl]-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene Investigative 118718002 C24H28FN 349.5 CC(=C)C[C@H]1[C@H]2C3=CC=CC=C3[C@@H](N1CC4=CC(=CC=C4)F)CC2(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 4 BPOU20 (1R,8S,10S)-9-[(3-Fluorophenyl)methyl]-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene Investigative 118718002 C24H28FN 349.5 CC(=C)C[C@H]1[C@H]2C3=CC=CC=C3[C@@H](N1CC4=CC(=CC=C4)F)CC2(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 1 BWO30C (1R,8S,10S)-3-Bromo-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-(thiophen-2-ylmethyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene Investigative 118718027 C22H26BrNS 416.4 CC(=C)C[C@H]1[C@H]2C3=C(C=CC=C3Br)[C@@H](N1CC4=CC=CS4)CC2(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 4 BX2CN8 (1R,8S,10S)-3-Bromo-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-methylsulfonyl-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene Investigative 118718052 C18H24BrNO2S 398.4 CC(=C)C[C@H]1[C@H]2C3=C(C=CC=C3Br)[C@@H](N1S(=O)(=O)C)CC2(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 4 BY17KM (1R,8S,10S)-3-Bromo-11,11-dimethyl-10-(2-methylpropyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene Investigative 118718001 C17H24BrN 322.3 CC(C)C[C@H]1[C@H]2C3=C(C=CC=C3Br)[C@@H](N1)CC2(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 1 BY27KU (1R,8S,10S)-3-(3,4-Dichlorophenyl)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-pentyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene Investigative 118718040 C28H35Cl2N 456.5 CCCCCN1[C@H]2CC([C@@H]([C@@H]1CC(=C)C)C3=C(C=CC=C23)C4=CC(=C(C=C4)Cl)Cl)(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 4 BY27KU (1R,8S,10S)-3-(3,4-Dichlorophenyl)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-pentyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene Investigative 118718040 C28H35Cl2N 456.5 CCCCCN1[C@H]2CC([C@@H]([C@@H]1CC(=C)C)C3=C(C=CC=C23)C4=CC(=C(C=C4)Cl)Cl)(C)C IC50 ~ 100000 nM Poor binder T32137 NADPH oxidase 1 BZ9CS4 (1R,8S,10S)-3-Bromo-9-(4-fluorophenyl)sulfonyl-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene Investigative 118718053 C23H25BrFNO2S 478.4 CC(=C)C[C@H]1[C@H]2C3=C(C=CC=C3Br)[C@@H](N1S(=O)(=O)C4=CC=C(C=C4)F)CC2(C)C IC50 ~ 100000 nM Poor binder