TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T28052 Lysine-specific demethylase 5A D0L5WM Amiodarone Approved 2157 C25H29I2NO3 645.3 CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I IC50 = 99000 nM Poor binder T28052 Lysine-specific demethylase 5A B1L5ZS Chembl4299285 Investigative 145949030 C101H171N37O29 2367.7 CC(C)C[C@H](C(=O)N[C@H](C(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CO)C(=O)N[C@H](CC(=O)O)C(=O)N2CCC[C@@H]2C(=O)N[C@H](CC(=O)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N3CCC[C@@H]3C(=O)N[C@@H](CC(=O)N)C(=O)N[C@H](CC4=CC=C(C=C4)O)C(=O)N[C@H](CO)C(=O)N[C@H](CCC(=O)N)C(=O)N)NC(=O)[C@@H](CCCNN)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]5CCCN5 IC50 ~ 50000 nM Poor binder T28052 Lysine-specific demethylase 5A B1X3WP 2-(Methylamino)-7-[3-(3-phenoxyphenyl)acryloyl]-2,4,6-cycloheptatrien-1-one Investigative 5852401 C23H19NO3 357.4 CNC1=CC=CC=C(C1=O)C(=O)/C=C/C2=CC(=CC=C2)OC3=CC=CC=C3 IC50 = 64000 nM Poor binder T28052 Lysine-specific demethylase 5A B5B8UQ 3-[3-[Butyl(methyl)amino]propanoyl-hydroxyamino]propanoic acid Investigative 122181578 C11H22N2O4 246.3 CCCCN(C)CCC(=O)N(CCC(=O)O)O IC50 = 53000 nM Poor binder T28052 Lysine-specific demethylase 5A B6FJO5 Chembl4129830 Investigative 145960532 C25H30F2INO3 557.4 CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)F)OCCC[N+](C)(C)C)F.[I-] IC50 = 198000 nM Poor binder T28052 Lysine-specific demethylase 5A B6UZ0B 3-(9-Cycloheptylnonanoylhydroxyamino)propionic acid Investigative 71735842 C19H35NO4 341.5 C1CCCC(CC1)CCCCCCCCC(=O)N(CCC(=O)O)O IC50 = 55000 nM Poor binder T28052 Lysine-specific demethylase 5A B9ES5B 3-(10-Methylundecanoylhydroxyamino)propionic acid Investigative 73352277 C15H29NO4 287.39 CC(C)CCCCCCCCC(=O)N(CCC(=O)O)O IC50 = 110000 nM Poor binder T28052 Lysine-specific demethylase 5A BA28NV Chembl4130224 Investigative 145962269 C25H32INO3 521.4 CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OCCC[N+](C)(C)C.[I-] Ki = 74000 nM Poor binder T28052 Lysine-specific demethylase 5A BB4I2V 3-(9-Phenylnonanoylhydroxyamino)propionic acid Investigative 71735840 C18H27NO4 321.4 C1=CC=C(C=C1)CCCCCCCCC(=O)N(CCC(=O)O)O IC50 = 93000 nM Poor binder T28052 Lysine-specific demethylase 5A BBZ6H0 Chembl4126135 Investigative 145963156 C22H25NO3 351.4 CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OCCCN IC50 = 198000 nM Poor binder T28052 Lysine-specific demethylase 5A BCG7Z1 3-(9-Cyclohexylnonanoylhydroxyamino)propionic acid Investigative 71735687 C18H33NO4 327.5 C1CCC(CC1)CCCCCCCCC(=O)N(CCC(=O)O)O IC50 = 100000 nM Poor binder T28052 Lysine-specific demethylase 5A BCYX23 Chembl4126951 Investigative 145962553 C24H29NO3 379.5 CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OCCCN(C)C IC50 = 166000 nM Poor binder T28052 Lysine-specific demethylase 5A BDB1F6 Chembl4299338 Investigative 145948690 C102H173N37O29 2381.7 CC(C)C[C@H](C(=O)N[C@H](C(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CO)C(=O)N[C@H](CC(=O)O)C(=O)N2CCC[C@@H]2C(=O)N[C@H](CC(=O)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N3CCC[C@@H]3C(=O)N[C@@H](CC(=O)N)C(=O)N[C@H](CC4=CC=C(C=C4)O)C(=O)N[C@H](CO)C(=O)N[C@H](CCC(=O)N)C(=O)N)NC(=O)[C@@H](CCCNNC)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]5CCCN5 IC50 ~ 50000 nM Poor binder T28052 Lysine-specific demethylase 5A BGB3C6 N-{(3S)-1-[5-(Propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide Investigative 129606887 C15H22N4O2 290.36 CC(C)C1=CC(=NN1)C(=O)N2CC[C@@H](C2)NC(=O)C3CC3 IC50 = 140000 nM Poor binder T28052 Lysine-specific demethylase 5A BKUM37 2-[5-[2-(3-Methoxyphenyl)ethanoylamino]-2-Oxidanyl-Phenyl]pyridine-4-Carboxylic Acid Investigative 135567042 C21H18N2O5 378.4 COC1=CC=CC(=C1)CC(=O)NC2=CC(=C(C=C2)O)C3=NC=CC(=C3)C(=O)O IC50 = 52000 nM Poor binder T28052 Lysine-specific demethylase 5A BL60AE Chembl4129540 Investigative 70702121 C25H30I3NO3 773.2 CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCC[N+](C)(C)C)I.[I-] IC50 = 82000 nM Poor binder T28052 Lysine-specific demethylase 5A BO0H6J 3-(Decanoylhydroxyamino)propionic acid Investigative 71735839 C13H25NO4 259.339 CCCCCCCCCC(=O)N(CCC(=O)O)O IC50 = 64000 nM Poor binder T28052 Lysine-specific demethylase 5A BOEX72 Chembl4276959 Investigative 145985174 C22H25N3O3S 411.5 C1CCN(CC1)CCOC(C2=CC(=CC=C2)N)C3=CC4=NC=CC(=C4S3)C(=O)O IC50 ~ 100000 nM Poor binder T28052 Lysine-specific demethylase 5A BQ6MP1 Chembl4294426 Investigative 137349487 C19H24N6O4S 432.5 C=CS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2)NCCC(=O)O)C3=CC=CC=N3 IC50 = 83000 nM Poor binder T28052 Lysine-specific demethylase 5A BSY1E4 N-(9-Cyclopropyl-1-oxononyl)-N-hydroxy-beta-alanine Investigative 71735843 C15H27NO4 285.38 C1CC1CCCCCCCCC(=O)N(CCC(=O)O)O IC50 = 55000 nM Poor binder T28052 Lysine-specific demethylase 5A BY36HT 2-[5-(2-Methoxyethanoylamino)-2-Oxidanyl-Phenyl]pyridine-4-Carboxylic Acid Investigative 135567037 C15H14N2O5 302.28 COCC(=O)NC1=CC(=C(C=C1)O)C2=NC=CC(=C2)C(=O)O IC50 = 180000 nM Poor binder T28052 Lysine-specific demethylase 5A BY4L8W 3-Chloro-1-(2,3-dimethylphenyl)-4-(ethylanilino)-1H-pyrrole-2,5-dione Investigative 992337 C20H19ClN2O2 354.8 CCN(C1=CC=CC=C1)C2=C(C(=O)N(C2=O)C3=CC=CC(=C3C)C)Cl IC50 = 83000 nM Poor binder T28052 Lysine-specific demethylase 5A BZ3M9W Methyl 3-[hydroxy-[5-[methyl(pentyl)amino]pentanoyl]amino]propanoate Investigative 122181589 C15H30N2O4 302.41 CCCCCN(C)CCCCC(=O)N(CCC(=O)OC)O IC50 = 63000 nM Poor binder T28052 Lysine-specific demethylase 5A BZL36S Chembl4283844 Investigative 133053816 C20H24N6O3 396.4 C=CC(=O)N1CCCN(CC1)C2=NC(=NC(=C2)NCCC(=O)O)C3=CC=CC=N3 IC50 = 71000 nM Poor binder T28052 Lysine-specific demethylase 5A D07IOY Pyridine-2,4-dicarboxylic acid Investigative 10365 C7H5NO4 167.12 C1=CN=C(C=C1C(=O)O)C(=O)O IC50 = 100000 nM Poor binder T28052 Lysine-specific demethylase 5A D0S3DD GSK-J1 Investigative 56963315 C22H23N5O2 389.4 C1CN(CCC2=CC=CC=C21)C3=NC(=NC(=C3)NCCC(=O)O)C4=CC=CC=N4 IC50 = 110000 nM Poor binder