TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T33966 Carboxypeptidase A1 B8FEZ6 Chembl4167456 Investigative 145955234 C8H14O2S 174.26 CC(C)C[C@@H]([C@@H]1CS1)C(=O)O Ki = 56000 nM Poor binder T33966 Carboxypeptidase A1 B8YQU3 Chembl4176703 Investigative 145974566 C11H11FO2S 226.27 C1[C@@H](S1)[C@H](CC2=CC=C(C=C2)F)C(=O)O Ki = 60400 nM Poor binder T33966 Carboxypeptidase A1 B8Z0WK 3-Pyridinepropanoic acid, 6-amino-alpha-1H-imidazol-5-yl- Investigative 9837547 C11H12N4O2 232.24 C1=CC(=NC=C1CC(C2=CN=CN2)C(=O)O)N IC50 ~ 50000 nM Poor binder T33966 Carboxypeptidase A1 BDTF51 (2S)-3-(4-Phenylphenyl)-2-[[(2S)-2-phenyl-2-sulfanylacetyl]amino]propanoic acid Investigative 44455429 C23H21NO3S 391.5 C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)[C@H](C3=CC=CC=C3)S Ki ~ 50000 nM Poor binder T33966 Carboxypeptidase A1 BIMA28 (2s)-3-Biphenyl-4-yl-2-[(2-methyl-2-sulfanylpropanoyl)amino]-propanoic acid Investigative 44455015 C19H21NO3S 343.4 CC(C)(C(=O)N[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O)S Ki ~ 50000 nM Poor binder T33966 Carboxypeptidase A1 BL6S3Z 2-(Nitromethyl)pent-4-enoic acid Investigative 44452015 C6H9NO4 159.14 C=CCC(C[N+](=O)[O-])C(=O)O Ki = 62600 nM Poor binder T33966 Carboxypeptidase A1 BS2BI0 Anabaenopeptin C Investigative 12110710 C41H60N8O9 809 C[C@H]1C(=O)N[C@H](C(=O)NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1C)CCC2=CC=C(C=C2)O)C(C)C)NC(=O)N[C@@H](CCCCN)C(=O)O)CC3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T33966 Carboxypeptidase A1 BY3S9T (2S)-2-Benzyl-3-nitropropanoic acid Investigative 44452013 C10H11NO4 209.2 C1=CC=C(C=C1)C[C@@H](C[N+](=O)[O-])C(=O)O Ki = 68000 nM Poor binder