TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T07403 Integrin alpha-4/beta-7 B0JTN8 N-(1-Carbamoyl-2-hydroxy-propyl)-3-{2-[(isoquinoline-3-carbonyl)-amino]-4-methyl-pentanoylamino}-succinamic acid Investigative 44287646 C24H31N5O7 501.5 C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C1=CC2=CC=CC=C2C=N1)O IC50 = 465000 nM Non binder T07403 Integrin alpha-4/beta-7 B84UET 2-[(3R,6S,9R,12S,15R,18R)-3-(Carboxymethyl)-6-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-15-(2-methylsulfanylethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-9-yl]acetic acid Investigative 44321138 C28H44N6O11S 672.7 C[C@H]([C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(=O)O)CC(C)C)CCSC)CC(=O)O)O IC50 = 317000 nM Non binder T07403 Integrin alpha-4/beta-7 BB9R5L 2-[(3R,6S,9R,12S,15R,18R)-3-(Carboxymethyl)-6-[(1R)-1-hydroxyethyl]-15-[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-9-yl]acetic acid Investigative 44321139 C32H44N6O12 704.7 C[C@H]([C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(=O)O)CC(C)C)CC3=CC=C(C=C3)O)CC(=O)O)O IC50 = 308000 nM Non binder T07403 Integrin alpha-4/beta-7 BUQ2F5 2-[(3R,6S,9R,12S,15R,18R)-3-(Carboxymethyl)-6-[(1R)-1-hydroxyethyl]-15-(1H-imidazol-5-ylmethyl)-12-(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-9-yl]acetic acid Investigative 44321086 C29H42N8O11 678.7 C[C@H]([C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(=O)O)CC(C)C)CC3=CN=CN3)CC(=O)O)O IC50 = 301000 nM Non binder T07403 Integrin alpha-4/beta-7 BVU08R 2-[(3R,6S,9R,12S,15R,18R)-15-Benzyl-6-[(1R)-1-hydroxyethyl]-3-methyl-12-(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-9-yl]acetic acid Investigative 44320794 C31H44N6O9 644.7 C[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)CC(=O)O)CC(C)C)CC3=CC=CC=C3 IC50 = 292000 nM Non binder