TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T15776 Pyruvate dehydrogenase kinase 1 D06SDP Melanotetan II Preclinical 6323491 C18H17ClO6 364.8 C[C@@H]1C[C@@H]2[C@H](O2)/C=C\\C=C\\C(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1 IC50 = 230000 nM Non binder T15776 Pyruvate dehydrogenase kinase 1 B5JCH6 [(1S,3Ar,6E,9S,9aR,10R,11aS)-6-[[tert-butyl(2-hydroxyethyl)amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate Investigative 24807809 C29H41NO9 547.6 CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(CCO)C(C)(C)C)/C4=C(C3=O)O)COC)C)C IC50 > 200000 nM Non binder T15776 Pyruvate dehydrogenase kinase 1 BEKU49 4-[4-(4-Methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol Investigative 764764 C17H16N2O3 296.32 CC1=C(C(=NN1)C2=C(C=C(C=C2)O)O)C3=CC=C(C=C3)OC IC50 = 648000 nM Non binder T15776 Pyruvate dehydrogenase kinase 1 BRE4P2 (1E,4S,4Ar,5R,6aS,7S,9aR)-5-(acetyloxy)-1-[[[3-(dimethylamino)propyl]methylamino]methylene]-4a,5,6,6a,7,8,9,9a-octahydro-cyclopenta[5,6]naphtho[1,2-c]pyran-2,10(1H,4H)-dione Investigative 11526786 C29H42N2O8 546.7 CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(C)CCCN(C)C)/C4=C(C3=O)O)COC)C)C IC50 > 200000 nM Non binder T15776 Pyruvate dehydrogenase kinase 1 BZ7W8L Dichloroacetic acid Investigative 6597 C2H2Cl2O2 128.94 C(C(=O)O)(Cl)Cl IC50 = 1025000 nM Non binder