TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T67231 Endopeptidase S1P B9X8DZ (2S)-2-[[(2S)-2-[[2-[2-[[2-[2-[[(2S)-1-[[(1S)-1-Carboxy-2-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethoxy]phenyl]diazenyl]phenoxy]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid Investigative 49798345 C52H50N6O10 919 C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)COC3=CC=CC=C3N=NC4=CC=CC=C4OCC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)O Ki = 140000 nM Poor binder T67231 Endopeptidase S1P BS39XE (2S)-2-[[2-[2-[[2-[2-[[(1S)-1-Carboxy-2-methylpropyl]amino]-2-oxoethoxy]phenyl]diazenyl]phenoxy]acetyl]amino]-3-methylbutanoic acid Investigative 49798321 C26H32N4O8 528.6 CC(C)[C@@H](C(=O)O)NC(=O)COC1=CC=CC=C1N=NC2=CC=CC=C2OCC(=O)N[C@@H](C(C)C)C(=O)O Ki = 75000 nM Poor binder T67231 Endopeptidase S1P BX5TG6 Benzyl (2S)-3-methyl-2-[[2-[2-[[2-[2-[[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]amino]-2-oxoethoxy]phenyl]diazenyl]phenoxy]acetyl]amino]butanoate Investigative 49798318 C40H44N4O8 708.8 CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)COC2=CC=CC=C2N=NC3=CC=CC=C3OCC(=O)N[C@@H](C(C)C)C(=O)OCC4=CC=CC=C4 Ki = 125000 nM Poor binder