TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T88806 Integrin alpha-5/beta-1 D0Q5LF BIO-1211 Phase 2 9961766 C36H48N6O9 708.8 CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)O IC50 ~ 100000 nM Poor binder T88806 Integrin alpha-5/beta-1 B1W5NJ 2-[(2R,5S,9R)-5-Benzyl-9-[3-(diaminomethylideneamino)propyl]-3,8,11,13-tetraoxo-1,4,7,10-tetrazacyclotridec-2-yl]acetic acid Investigative 44628055 C22H31N7O6 489.5 C1[C@@H](NC(=O)[C@H](NC(=O)CC(=O)N[C@@H](C(=O)N1)CCCN=C(N)N)CC(=O)O)CC2=CC=CC=C2 IC50 ~ 100000 nM Poor binder T88806 Integrin alpha-5/beta-1 B38VRA (2S)-2-[(2,6-Dichlorobenzoyl)amino]-3-[3-[4-(pyridin-2-ylamino)butoxy]phenyl]propanoic acid Investigative 68899684 C25H25Cl2N3O4 502.4 C1=CC=NC(=C1)NCCCCOC2=CC=CC(=C2)C[C@@H](C(=O)O)NC(=O)C3=C(C=CC=C3Cl)Cl IC50 = 83000 nM Poor binder T88806 Integrin alpha-5/beta-1 B5EQL9 (2S)-2-[(2,6-Dichlorobenzoyl)amino]-3-[4-[3-(1-methylazetidin-3-yl)propoxy]phenyl]propanoic acid Investigative 70694227 C23H26Cl2N2O4 465.4 CN1CC(C1)CCCOC2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3=C(C=CC=C3Cl)Cl IC50 = 58000 nM Poor binder T88806 Integrin alpha-5/beta-1 B78HVP 2-[(2R,5R,9R)-5-Benzyl-9-[3-(diaminomethylideneamino)propyl]-3,8,11,13-tetraoxo-1,4,7,10-tetrazacyclotridec-2-yl]acetic acid Investigative 44628054 C22H31N7O6 489.5 C1[C@H](NC(=O)[C@H](NC(=O)CC(=O)N[C@@H](C(=O)N1)CCCN=C(N)N)CC(=O)O)CC2=CC=CC=C2 IC50 ~ 100000 nM Poor binder T88806 Integrin alpha-5/beta-1 B7LE1P Grgdnp Investigative 9895205 C23H38N10O10 614.6 C1C[C@H](N(C1)C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)C(=O)O IC50 ~ 100000 nM Poor binder T88806 Integrin alpha-5/beta-1 B85FRU (2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]butanedioic acid Investigative 90645591 C21H31N7O7 493.5 C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)N IC50 = 66000 nM Poor binder T88806 Integrin alpha-5/beta-1 B8J0YW 3-[4-(3-Guanidino-benzoylamino)-phenylsulfanyl]-3-pyridin-3-yl-propionic acid Investigative 9828979 C22H21N5O3S 435.5 C1=CC(=CC(=C1)N=C(N)N)C(=O)NC2=CC=C(C=C2)SC(CC(=O)O)C3=CN=CC=C3 EC50 ~ 100000 nM Poor binder T88806 Integrin alpha-5/beta-1 B9AL6N 2-[(5Z)-3-[[4-[(2-Aminoacetyl)amino]phenyl]methyl]-5-ethylidene-2,6-dioxo-4-propan-2-yl-1,3-diazinan-1-yl]acetic acid Investigative 72204878 C20H26N4O5 402.4 C/C=C\\1/C(N(C(=O)N(C1=O)CC(=O)O)CC2=CC=C(C=C2)NC(=O)CN)C(C)C IC50 ~ 100000 nM Poor binder T88806 Integrin alpha-5/beta-1 BD41MY 2-[(2R,5S,9S)-5-Benzyl-9-[3-(diaminomethylideneamino)propyl]-3,8,11,13-tetraoxo-1,4,7,10-tetrazacyclotridec-2-yl]acetic acid Investigative 44628053 C22H31N7O6 489.5 C1[C@@H](NC(=O)[C@H](NC(=O)CC(=O)N[C@H](C(=O)N1)CCCN=C(N)N)CC(=O)O)CC2=CC=CC=C2 IC50 ~ 100000 nM Poor binder T88806 Integrin alpha-5/beta-1 BM40CG (S)-2-[(S)-3-Carboxy-2-((S)-4-methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoylamino)-propionylamino]-3-methyl-butyric acid Investigative 9851886 C31H41N5O8 611.7 CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)O IC50 ~ 100000 nM Poor binder T88806 Integrin alpha-5/beta-1 BN30XQ 2-[(2S,5R,9R)-5-Benzyl-9-[3-(diaminomethylideneamino)propyl]-3,8,11,13-tetraoxo-1,4,7,10-tetrazacyclotridec-2-yl]acetic acid Investigative 44626483 C22H31N7O6 489.5 C1[C@H](NC(=O)[C@@H](NC(=O)CC(=O)N[C@@H](C(=O)N1)CCCN=C(N)N)CC(=O)O)CC2=CC=CC=C2 IC50 ~ 100000 nM Poor binder T88806 Integrin alpha-5/beta-1 BO5AJ1 (2S)-2-[(4-Fluoro-2-methoxybenzoyl)amino]-3-[4-[2-[6-(methylamino)pyridin-2-yl]ethoxy]phenyl]propanoic acid Investigative 70689988 C25H26FN3O5 467.5 CNC1=CC=CC(=N1)CCOC2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3=C(C=C(C=C3)F)OC IC50 ~ 100000 nM Poor binder T88806 Integrin alpha-5/beta-1 BOE7H8 3-[[2-[3-(4-Carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid;2,2,2-trifluoroacetic acid Investigative 44359644 C17H19F3N4O6 432.4 C1C(ON=C1C2=CC=C(C=C2)C(=N)N)CC(=O)NCCC(=O)O.C(=O)(C(F)(F)F)O IC50 = 180000 nM Poor binder T88806 Integrin alpha-5/beta-1 BRQ28U (R)-3-[(S)-5-(3-Guanidino-propylcarbamoyl)-2-oxo-1-aza-bicyclo[5.2.0]non-8-yl]-propionic acid Investigative 44286652 C16H27N5O4 353.42 C1CC(=O)N2C[C@@H]([C@H]2C[C@H]1C(=O)NCCCN=C(N)N)CCC(=O)O IC50 = 65000 nM Poor binder T88806 Integrin alpha-5/beta-1 BV35KH 3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimethyl-2,3-dihydro-thiazol-5-yl}-propionic acid Investigative 9863046 C16H18N4O3S 346.4 CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=N)N)N1C)CCC(=O)O IC50 ~ 100000 nM Poor binder T88806 Integrin alpha-5/beta-1 BV3Z5S (S)-2-((S)-4-Methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoylamino)-succinic acid Investigative 11799915 C26H32N4O7 512.6 CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O IC50 ~ 100000 nM Poor binder T88806 Integrin alpha-5/beta-1 BWYS25 Cyclo(-Arg-Ala-Asp-D-Phe-Val) Investigative 10461016 C27H40N8O7 588.7 C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)C(C)C)CC2=CC=CC=C2)CC(=O)O IC50 ~ 100000 nM Poor binder T88806 Integrin alpha-5/beta-1 BZVL27 3-[[2-[5-(Diaminomethylideneamino)pentanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Investigative 9907082 C16H24N6O4 364.4 C1=CC(=CN=C1)C(CC(=O)O)NC(=O)CNC(=O)CCCCN=C(N)N IC50 = 70000 nM Poor binder