TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T93145 Pyruvate dehydrogenase kinase D00YWP Nandrolone Approved 9904 C18H26O2 274.4 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34 IC50 = 120000 nM Poor binder T93145 Pyruvate dehydrogenase kinase D01FQV Dichloroacetate sodium Phase 1 517326 C2HCl2NaO2 150.92 C(C(=O)[O-])(Cl)Cl.[Na+] EC50 = 130000 nM Poor binder T93145 Pyruvate dehydrogenase kinase B3HVP2 (2S)-N-Cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide Investigative 10681448 C10H16F3NO2 239.23 C[C@](C(=O)NC1CCCCC1)(C(F)(F)F)O IC50 = 200000 nM Poor binder T93145 Pyruvate dehydrogenase kinase B56BWJ 3,3,3-Trifluoro-2-hydroxy-N-[2-(hydroxymethyl)phenyl]-2-methylpropanamide Investigative 44312085 C11H12F3NO3 263.21 CC(C(=O)NC1=CC=CC=C1CO)(C(F)(F)F)O IC50 = 145000 nM Poor binder T93145 Pyruvate dehydrogenase kinase B5BCH3 N-[(3E)-17beta-Hydroxyestra-4-ene-3-ylidene]glycine Investigative 44311110 C20H29NO3 331.4 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=NCC(=O)O)CC[C@H]34 IC50 = 56000 nM Poor binder T93145 Pyruvate dehydrogenase kinase BGR0A4 3,3,3-Trifluoro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide Investigative 44312073 C11H12F3NO3 263.21 CC(C(=O)NC1=CC=CC(=C1)CO)(C(F)(F)F)O IC50 = 80000 nM Poor binder T93145 Pyruvate dehydrogenase kinase BM1UH0 N-(2-Chloro-6-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide Investigative 44312513 C11H11ClF3NO2 281.66 CC1=C(C(=CC=C1)Cl)NC(=O)C(C)(C(F)(F)F)O IC50 = 60000 nM Poor binder T93145 Pyruvate dehydrogenase kinase BO8LC3 3,3,3-Trifluoro-2-hydroxy-N-(2-methoxyphenyl)-2-methylpropanamide Investigative 22287193 C11H12F3NO3 263.21 CC(C(=O)NC1=CC=CC=C1OC)(C(F)(F)F)O IC50 = 61500 nM Poor binder T93145 Pyruvate dehydrogenase kinase BUK13V 17beta-Hydroxy-5alpha-androstan-3-one oxime Investigative 9922541 C19H31NO2 305.5 C[C@]12CC/C(=N\\O)/C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C IC50 = 51000 nM Poor binder T93145 Pyruvate dehydrogenase kinase BV5Z6B N-(3-Acetylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide Investigative 44312049 C12H12F3NO3 275.22 CC(=O)C1=CC(=CC=C1)NC(=O)C(C)(C(F)(F)F)O IC50 = 170000 nM Poor binder