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 B0E2WV 3-(10-Methylundecanoylhydroxyamino)propionic acid methyl ester Investigative 73333510 C16H31NO4 301.42 CC(C)CCCCCCCCC(=O)N(CCC(=O)OC)O IC50 = 210000 nM Non binder T28052 Lysine-specific demethylase 5A B13VMI 2-(5-Acetamido-2-Oxidanyl-Phenyl)pyridine-4-Carboxylic Acid Investigative 135567040 C14H12N2O4 272.26 CC(=O)NC1=CC(=C(C=C1)O)C2=NC=CC(=C2)C(=O)O IC50 = 240000 nM Non binder T28052 Lysine-specific demethylase 5A B1AJ0L Chembl4126235 Investigative 145962316 C97H179N36O28+ 2297.7 C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)O IC50 = 218000 nM Non binder T28052 Lysine-specific demethylase 5A B2Q8RG (2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]propanoic acid Investigative 56666474 C94H172N36O28 2254.6 C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)O IC50 = 571000 nM Non binder T28052 Lysine-specific demethylase 5A B40XZA Chembl4127094 Investigative 145961258 C25H32INO3 521.4 CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=CC=C3OCCC[N+](C)(C)C.[I-] IC50 = 1146000 nM Non binder T28052 Lysine-specific demethylase 5A B6GD8S Chembl4126240 Investigative 70702119 C24H28I3NO3 759.2 CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC[N+](C)(C)C)I.[I-] IC50 = 1658000 nM Non binder T28052 Lysine-specific demethylase 5A BGA7W6 Chembl4127515 Investigative 145963620 C28H38INO3 563.5 CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OCCC[N+](CC)(CC)CC.[I-] IC50 = 314000 nM Non binder T28052 Lysine-specific demethylase 5A BN19FL Chembl4126406 Investigative 145961684 C22H26INO3 479.4 CC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OCCC[N+](C)(C)C.[I-] IC50 = 844000 nM Non binder T28052 Lysine-specific demethylase 5A BOWG94 Chembl4128613 Investigative 145962837 C22H26INO3 479.4 CC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=CC=C3OCCC[N+](C)(C)C.[I-] IC50 = 2305000 nM Non binder T28052 Lysine-specific demethylase 5A BR5G9F Chembl4125836 Investigative 131637453 C96H176N36O28 2282.7 C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)O IC50 = 1577000 nM Non binder T28052 Lysine-specific demethylase 5A BTQE05 Chembl4129980 Investigative 145962898 C27H36INO5 581.5 CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)OC)OCCC[N+](C)(C)C)OC.[I-] IC50 = 223000 nM Non binder T28052 Lysine-specific demethylase 5A BVKO45 Chembl4127792 Investigative 145963214 C22H26INO2S 495.4 CC1=C(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)OCCC[N+](C)(C)C.[I-] IC50 = 533000 nM Non binder T28052 Lysine-specific demethylase 5A BW42QB Chembl4128152 Investigative 145963644 C22H27IN2O2 478.4 CN=C(C1=CC=C(C=C1)OCCC[N+](C)(C)C)C2=COC3=CC=CC=C32.[I-] IC50 = 1310000 nM Non binder T28052 Lysine-specific demethylase 5A D08IZY 2-(carboxymethylamino)-2-oxoacetic acid Investigative 3080614 C4H5NO5 147.09 C(C(=O)O)NC(=O)C(=O)O IC50 = 250000 nM Non binder T28052 Lysine-specific demethylase 5A D0B2WZ daminozide Investigative 15331 C6H12N2O3 160.17 CN(C)NC(=O)CCC(=O)O IC50 = 2200000 nM Non binder