TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T67363 Integrin alpha-V/beta-3 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 = 619000 nM Non binder T67363 Integrin alpha-V/beta-3 B24EBN Ethyl 2-[benzyl-[(2S)-2-[(4-carbamimidoylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-2-oxoacetate;2,2,2-trifluoroacetic acid Investigative 71654376 C29H28F3N3O8 603.5 CCOC(=O)C(=O)N(CC1=CC=CC=C1)C2=CC3=C(C=C2)O[C@H](CO3)COC4=CC=C(C=C4)C(=N)N.C(=O)(C(F)(F)F)O IC50 > 200000 nM Non binder T67363 Integrin alpha-V/beta-3 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 = 257000 nM Non binder T67363 Integrin alpha-V/beta-3 B37FHW 2-Benzyloxycarbonylamino-3-[4-(3-tert-butylamino-2-hydroxy-propoxy)-phenyl]-propionic acid Investigative 15030977 C24H32N2O6 444.5 CC(C)(C)NCC(COC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2)O IC50 > 300000 nM Non binder T67363 Integrin alpha-V/beta-3 B3MA8R 4-((1-(4-Carbamimidoylbenzyl)-4-methyl-2-oxo-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl)(propyl)amino)-4-oxobutanoic acid Investigative 44436710 C27H32N4O4 476.6 CCCN(C1=C(CC(N(C1=O)CC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3)C)C(=O)CCC(=O)O IC50 > 1000000 nM Non binder T67363 Integrin alpha-V/beta-3 B3ON5R 1-(2-Chlorophenyl)biguanide Investigative 29669 C8H10ClN5 211.65 C1=CC=C(C(=C1)N=C(N)N=C(N)N)Cl IC50 > 200000 nM Non binder T67363 Integrin alpha-V/beta-3 B3RN5S 2-((1-(4-Carbamimidoylbenzyl)-4-methyl-2-oxo-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl)(propyl)carbamoyl)-4-methoxy-4-oxobutanoic acid Investigative 44436711 C29H34N4O6 534.6 CCCN(C1=C(CC(N(C1=O)CC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3)C)C(=O)C(CC(=O)OC)C(=O)O IC50 > 1000000 nM Non binder T67363 Integrin alpha-V/beta-3 B42MKT 2-({1-[(4-Aminophenyl)methyl]-4-methyl-2-oxo-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl}(propyl)carbamoyl)butanedioic acid Investigative 44436715 C27H31N3O6 493.6 CCCN(C1=C(CC(N(C1=O)CC2=CC=C(C=C2)N)C3=CC=CC=C3)C)C(=O)C(CC(=O)O)C(=O)O IC50 > 1000000 nM Non binder T67363 Integrin alpha-V/beta-3 B4A2OQ 3-(3-(3-Amino-N-propylpropanamido)-4-methyl-2-oxo-6-phenyl-5,6-dihydropyridin-1(2H)-yl)propanoic acid Investigative 44436701 C21H29N3O4 387.5 CCCN(C1=C(CC(N(C1=O)CCC(=O)O)C2=CC=CC=C2)C)C(=O)CCN IC50 > 1000000 nM Non binder T67363 Integrin alpha-V/beta-3 B5FA7L 3-(3-(6-Amino-N-propylhexanamido)-4-methyl-2-oxo-6-phenyl-5,6-dihydropyridin-1(2H)-yl)propanoic acid Investigative 44436703 C24H35N3O4 429.6 CCCN(C1=C(CC(N(C1=O)CCC(=O)O)C2=CC=CC=C2)C)C(=O)CCCCCN IC50 > 1000000 nM Non binder T67363 Integrin alpha-V/beta-3 B5Q7BV Ethyl 2-[benzyl-[(2R)-2-[(4-carbamimidoylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-2-oxoacetate;2,2,2-trifluoroacetic acid Investigative 71654374 C29H28F3N3O8 603.5 CCOC(=O)C(=O)N(CC1=CC=CC=C1)C2=CC3=C(C=C2)O[C@@H](CO3)COC4=CC=C(C=C4)C(=N)N.C(=O)(C(F)(F)F)O IC50 > 200000 nM Non binder T67363 Integrin alpha-V/beta-3 B7PGR6 Ethyl 2-[benzyl-[(3R)-3-[(4-carbamimidoylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-2-oxoacetate;2,2,2-trifluoroacetic acid Investigative 71654530 C29H28F3N3O8 603.5 CCOC(=O)C(=O)N(CC1=CC=CC=C1)C2=CC3=C(C=C2)OC[C@H](O3)COC4=CC=C(C=C4)C(=N)N.C(=O)(C(F)(F)F)O IC50 > 200000 nM Non binder T67363 Integrin alpha-V/beta-3 B8CSA6 2-[Benzyl-[(2S)-2-[(4-carbamimidoylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-2-oxoacetic acid Investigative 71654535 C25H23N3O6 461.5 C1[C@@H](OC2=C(O1)C=C(C=C2)N(CC3=CC=CC=C3)C(=O)C(=O)O)COC4=CC=C(C=C4)C(=N)N IC50 > 200000 nM Non binder T67363 Integrin alpha-V/beta-3 BAZ2O1 N-{6-(4-Carbamimidoyl-phenyl)-1-[(S)-1-(4-methoxy-phenyl)-ethyl]-4-methyl-2-oxo-1,2,5,6-tetrahydro-pyridin-3-yl}-N-propyl-malonamic acid Investigative 44436708 C28H34N4O5 506.6 CCCN(C1=C(CC(N(C1=O)[C@@H](C)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C(=N)N)C)C(=O)CC(=O)O IC50 > 1000000 nM Non binder T67363 Integrin alpha-V/beta-3 BEI4C1 2-[Benzyl-[(3R)-3-[(4-carbamimidoylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-2-oxoacetic acid Investigative 71654536 C25H23N3O6 461.5 C1[C@H](OC2=C(O1)C=CC(=C2)N(CC3=CC=CC=C3)C(=O)C(=O)O)COC4=CC=C(C=C4)C(=N)N IC50 > 200000 nM Non binder T67363 Integrin alpha-V/beta-3 BF5J6Z (S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amino]-3-[4-(2,6-dichloro-benzyloxy)-phenyl]-propionic acid Investigative 9870468 C22H22Cl2N2O5S 497.4 CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)OCC3=C(C=CC=C3Cl)Cl)C(=O)O IC50 > 800000 nM Non binder T67363 Integrin alpha-V/beta-3 BH1Q5O N-(5-Chloro-2-methylphenyl)imidodicarbonimidic diamide Investigative 2969603 C9H12ClN5 225.68 CC1=C(C=C(C=C1)Cl)N=C(N)N=C(N)N IC50 > 200000 nM Non binder T67363 Integrin alpha-V/beta-3 BH5SB4 N-[2-(Methylthio)phenyl]imidodicarbonimidic diamide Investigative 2730204 C9H13N5S 223.3 CSC1=CC=CC=C1N=C(N)N=C(N)N IC50 > 200000 nM Non binder T67363 Integrin alpha-V/beta-3 BIG5P3 Ethyl 3-{[{[amino(imino)methyl]amino}(imino)methyl]amino}benzoate Investigative 6342934 C11H15N5O2 249.27 CCOC(=O)C1=CC(=CC=C1)N=C(N)N=C(N)N IC50 > 200000 nM Non binder T67363 Integrin alpha-V/beta-3 BJVQ52 2-[(1R,6S,7R,8S,9R,23S,24R,25S)-19-[3-(Diaminomethylideneamino)propyl]-7,8,24,25-tetrahydroxy-4,12,15,18,21-pentaoxo-26,27-dioxa-3,11,14,17,20-pentazatricyclo[21.2.1.16,9]heptacosan-13-yl]acetic acid Investigative 44341096 C26H42N8O13 674.7 C1[C@H]2[C@@H]([C@@H]([C@H](O2)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C[C@H]3[C@@H]([C@@H]([C@H](O3)CNC1=O)O)O)CCCN=C(N)N)CC(=O)O)O)O IC50 = 597000 nM Non binder T67363 Integrin alpha-V/beta-3 BKOZ83 Ethyl 2-[benzyl-[(3S)-3-[(4-carbamimidoylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-2-oxoacetate;2,2,2-trifluoroacetic acid Investigative 71654532 C29H28F3N3O8 603.5 CCOC(=O)C(=O)N(CC1=CC=CC=C1)C2=CC3=C(C=C2)OC[C@@H](O3)COC4=CC=C(C=C4)C(=N)N.C(=O)(C(F)(F)F)O IC50 > 200000 nM Non binder T67363 Integrin alpha-V/beta-3 BMBD37 2-[Benzyl-[(3S)-3-[(4-carbamimidoylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-2-oxoacetic acid Investigative 71652207 C25H23N3O6 461.5 C1[C@@H](OC2=C(O1)C=CC(=C2)N(CC3=CC=CC=C3)C(=O)C(=O)O)COC4=CC=C(C=C4)C(=N)N IC50 > 200000 nM Non binder T67363 Integrin alpha-V/beta-3 BMR60P 2-((1-(4-Carbamimidoylbenzyl)-4-methyl-2-oxo-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl)(propyl)carbamoyl)succinic acid Investigative 44436712 C28H32N4O6 520.6 CCCN(C1=C(CC(N(C1=O)CC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3)C)C(=O)C(CC(=O)O)C(=O)O IC50 > 1000000 nM Non binder T67363 Integrin alpha-V/beta-3 BNM57R N-[3-(Methylthio)phenyl]imidodicarbonimidic diamide Investigative 6342932 C9H13N5S 223.3 CSC1=CC=CC(=C1)N=C(N)N=C(N)N IC50 > 200000 nM Non binder T67363 Integrin alpha-V/beta-3 BP3V0S 2-[Benzyl-[(2R)-2-[(4-carbamimidoylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-2-oxoacetic acid Investigative 71654534 C25H23N3O6 461.5 C1[C@H](OC2=C(O1)C=C(C=C2)N(CC3=CC=CC=C3)C(=O)C(=O)O)COC4=CC=C(C=C4)C(=N)N IC50 > 200000 nM Non binder T67363 Integrin alpha-V/beta-3 BQI2D1 (S)-N-Benzyl-3-{[(R)-1-(5-guanidino-pentanoyl)-pyrrolidine-2-carbonyl]-amino}-succinamic acid Investigative 44439577 C22H32N6O5 460.5 C1C[C@@H](N(C1)C(=O)CCCCN=C(N)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC2=CC=CC=C2 IC50 = 230000 nM Non binder T67363 Integrin alpha-V/beta-3 BY2IB0 N-(2-Ethoxyphenyl)imidodicarbonimidic diamide Investigative 2943054 C10H15N5O 221.26 CCOC1=CC=CC=C1N=C(N)N=C(N)N IC50 > 200000 nM Non binder T67363 Integrin alpha-V/beta-3 BZV41N [1-((S)-4-Methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoyl)-piperidin-2-yl]-acetic acid Investigative 9828131 C29H38N4O5 522.6 CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N[C@@H](CC(C)C)C(=O)N3CCCCC3CC(=O)O IC50 > 200000 nM Non binder T67363 Integrin alpha-V/beta-3 D0H4NK 1-phenylbiguanide Investigative 4780 C8H11N5 177.21 C1=CC=C(C=C1)N=C(N)N=C(N)N IC50 > 200000 nM Non binder