TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T92424 Integrin alpha-V/beta-5 B0OWK3 Arg-Gly-Asp-Arg-Gly-Asp Investigative 10032445 C24H42N12O11 674.7 C(C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)N)CN=C(N)N IC50 = 546000 nM Non binder T92424 Integrin alpha-V/beta-5 B2DTK4 3-[(3S,6S,12S,15S,21S,24S,30S,36S,39S,42S)-6,15,24-Tris(carboxymethyl)-12,21,30-tris[3-(diaminomethylideneamino)propyl]-36-[(1R)-1-hydroxyethyl]-3-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41-tetradecaoxo-1,4,7,10,13,16,19,22,25,28,31,34,37,40-tetradecazabicyclo[40.3.0]pentatetracontan-39-yl]propanoic acid Investigative 137632555 C58H95N23O23 1482.5 C[C@H]([C@H]1C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N1)CCC(=O)O)CC(C)C)CC(=O)O)CCCN=C(N)N)CC(=O)O)CCCN=C(N)N)CC(=O)O)CCCN=C(N)N)O IC50 = 380000 nM Non binder T92424 Integrin alpha-V/beta-5 B5J0PD 3-[(3S,6S,12S,38S,41S,44S)-6-(Carboxymethyl)-12-[3-(diaminomethylideneamino)propyl]-38-[(1R)-1-hydroxyethyl]-3-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,37,40,43-pentadecaoxo-1,4,7,10,13,16,19,22,25,28,31,34,36,39,42-pentadecazabicyclo[42.3.0]heptatetracontan-41-yl]propanoic acid Investigative 137650356 C47H74N18O20 1211.2 C[C@H]([C@H]1C(=O)NC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N1)CCC(=O)O)CC(C)C)CC(=O)O)CCCN=C(N)N)O IC50 = 522000 nM Non binder T92424 Integrin alpha-V/beta-5 BFHO50 (4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-[[2-[(2-Aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S,3R)-1-[[2-[[2-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Investigative 137648507 C59H97N23O26 1544.5 C[C@H]([C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)O IC50 = 1733000 nM Non binder T92424 Integrin alpha-V/beta-5 BJRE53 (4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-Aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S,3R)-1-[[2-[[2-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Investigative 137641477 C53H86N20O24 1387.4 C[C@H]([C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)O IC50 = 2945000 nM Non binder