TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T50773 Dipeptidyl-peptidase 7 D0R9HL Vildagliptin/metformin Phase 3 11077541 C17H25N3O2 303.4 C1C[C@H](N(C1)C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C#N IC50 = 210000 nM Non binder T50773 Dipeptidyl-peptidase 7 B0ZB5V (S)-2,6-Diamino-1-(3,4-dihydroquinolin-1(2H)-yl)hexan-1-one Investigative 44560929 C15H23N3O 261.36 C1CC2=CC=CC=C2N(C1)C(=O)[C@H](CCCCN)N IC50 = 393000 nM Non binder T50773 Dipeptidyl-peptidase 7 B26FCE (S)-Benzyl 5-amino-6-(3,4-dihydroquinolin-1(2H)-yl)-6-oxohexylcarbamate Investigative 15101668 C23H29N3O3 395.5 C1CC2=CC=CC=C2N(C1)C(=O)[C@H](CCCCNC(=O)OCC3=CC=CC=C3)N IC50 = 390000 nM Non binder T50773 Dipeptidyl-peptidase 7 B2C1UH 2-Amino-3-methyl-pentanoic acid cyclopentylamide Investigative 24703639 C11H22N2O 198.31 CCC(C)C(C(=O)NC1CCCC1)N IC50 = 500000 nM Non binder T50773 Dipeptidyl-peptidase 7 B2DY5F (6S)-1-[(2S)-2-Amino-4-[2-(2-methoxyethyl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5,5-difluoro-6-hydroxypiperidin-2-one Investigative 44126292 C20H26F5N5O4 495.4 COCCC1=NC2=C(CCN(C2)C(=O)C[C@@H](CN3[C@H](C(CCC3=O)(F)F)O)N)C(=N1)C(F)(F)F IC50 > 400000 nM Non binder T50773 Dipeptidyl-peptidase 7 B2H4MR (S)-3-Amino-4-oxo-4-(pyrrolidin-1-yl)butanoic acid Investigative 11206225 C8H14N2O3 186.21 C1CCN(C1)C(=O)[C@H](CC(=O)O)N IC50 > 500000 nM Non binder T50773 Dipeptidyl-peptidase 7 B3FTC1 Diphenyl 1-((2S,3S)-2-amino-3-methylpentanoyl)pyrrolidin-2-ylphosphonate Investigative 10341846 C22H29N2O4P 416.4 CC[C@H](C)[C@@H](C(=O)N1CCCC1P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)N IC50 > 500000 nM Non binder T50773 Dipeptidyl-peptidase 7 B3REA8 2-Amino-1-azepan-1-yl-3-methyl-pentan-1-one Investigative 24704198 C12H24N2O 212.33 CCC(C)C(C(=O)N1CCCCCC1)N IC50 = 228000 nM Non binder T50773 Dipeptidyl-peptidase 7 B67IAM Fluoro-Olefin Analogue 9 Investigative 23646088 C14H24FN 225.35 C1CCC(CC1)NCC(=C2CCCCC2)F IC50 = 500000 nM Non binder T50773 Dipeptidyl-peptidase 7 B6F0CW Benzyl N-[(2S)-6-amino-1-[1-bis(4-acetamidophenoxy)phosphoryl-1,3-dihydroisoindol-2-yl]-1-oxohexan-2-yl]carbamate Investigative 44435316 C38H42N5O8P 727.7 CC(=O)NC1=CC=C(C=C1)OP(=O)(C2C3=CC=CC=C3CN2C(=O)[C@H](CCCCN)NC(=O)OCC4=CC=CC=C4)OC5=CC=C(C=C5)NC(=O)C IC50 > 250000 nM Non binder T50773 Dipeptidyl-peptidase 7 B6R1JK 2-Amino-1-(2,5-dihydro-pyrrol-1-yl)-3-methyl-pentan-1-one Investigative 44364338 C10H18N2O 182.26 CCC(C)C(C(=O)N1CC=CC1)N IC50 = 288000 nM Non binder T50773 Dipeptidyl-peptidase 7 B6YX3Z N-[[(2S,3As,7aS)-1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide Investigative 101879512 C20H25F6N3O3S 501.5 C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N)CNS(=O)(=O)C(F)(F)F IC50 = 207350 nM Non binder T50773 Dipeptidyl-peptidase 7 B8JN1W 2-Amino-1-(3-hydroxy-pyrrolidin-1-yl)-3-methyl-pentan-1-one Investigative 44364210 C10H20N2O2 200.28 CCC(C)C(C(=O)N1CCC(C1)O)N IC50 = 299000 nM Non binder T50773 Dipeptidyl-peptidase 7 B95RMJ 2-Amino-3-methyl-pentanoic acid diethylamide Investigative 17763521 C10H22N2O 186.29 CCC(C)C(C(=O)N(CC)CC)N IC50 > 500000 nM Non binder T50773 Dipeptidyl-peptidase 7 BCA7J5 (2S,3R)-2-Amino-3-hydroxy-1-(pyrrolidin-1-yl)butan-1-one Investigative 44560823 C8H16N2O2 172.22 C[C@H]([C@@H](C(=O)N1CCCC1)N)O IC50 = 230000 nM Non binder T50773 Dipeptidyl-peptidase 7 BF41BR 1-Isoleucylazetidine Investigative 10607253 C9H18N2O 170.25 CC[C@H](C)[C@@H](C(=O)N1CCC1)N IC50 = 730000 nM Non binder T50773 Dipeptidyl-peptidase 7 BHDS65 2-Amino-3-methyl-pentanoic acid methyl-propyl-amide Investigative 43271345 C10H22N2O 186.29 CCCN(C)C(=O)C(C(C)CC)N IC50 = 213000 nM Non binder T50773 Dipeptidyl-peptidase 7 BHEK84 (2S,3S)-2-Amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylpentan-1-one Investigative 10845727 C10H20N2O2 200.28 CC[C@H](C)[C@@H](C(=O)N1CCC(C1)O)N IC50 = 299000 nM Non binder T50773 Dipeptidyl-peptidase 7 BI6AY3 Ethanone, 2-(cyclohexylamino)-1-(1-pyrrolidinyl)- Investigative 11229581 C12H22N2O 210.32 C1CCC(CC1)NCC(=O)N2CCCC2 IC50 = 276000 nM Non binder T50773 Dipeptidyl-peptidase 7 BJAF95 Diphenyl 2-((2S,3S)-2-amino-3-methylpentanoyl)isoindolin-1-ylphosphonate Investigative 23657402 C26H29N2O4P 464.5 CC[C@H](C)[C@@H](C(=O)N1CC2=CC=CC=C2C1P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)N IC50 > 250000 nM Non binder T50773 Dipeptidyl-peptidase 7 BL54HE 2-(Benzylamino)-1-(pyrrolidin-1-yl)ethan-1-one Investigative 11356421 C13H18N2O 218.29 C1CCN(C1)C(=O)CNCC2=CC=CC=C2 IC50 = 500000 nM Non binder T50773 Dipeptidyl-peptidase 7 BL67JA Pyrrolidin-1-yl-(tetrahydro-thiophen-2-yl)-methanone Investigative 44364227 C9H15NOS 185.29 C1CCN(C1)C(=O)C2CCCS2 IC50 > 500000 nM Non binder T50773 Dipeptidyl-peptidase 7 BM4BI3 Pyrrolidin-2-yl-pyrrolidin-1-yl-methanethione Investigative 44328319 C9H16N2S 184.3 C1CCN(C1)C(=S)C2CCCN2 IC50 > 500000 nM Non binder T50773 Dipeptidyl-peptidase 7 BM5FI2 1-Isoleucylhexahydro-1H-azepine Investigative 10798619 C12H24N2O 212.33 CC[C@H](C)[C@@H](C(=O)N1CCCCCC1)N IC50 = 228000 nM Non binder T50773 Dipeptidyl-peptidase 7 BQ5EM6 Piperidine, 1-[[(phenylmethyl)amino]acetyl]- Investigative 11776124 C14H20N2O 232.32 C1CCN(CC1)C(=O)CNCC2=CC=CC=C2 IC50 = 397000 nM Non binder T50773 Dipeptidyl-peptidase 7 BSK8E6 2-Amino-1-azetidin-1-yl-3-methyl-pentan-1-one Investigative 9964212 C9H18N2O 170.25 CCC(C)C(C(=O)N1CCC1)N IC50 = 730000 nM Non binder T50773 Dipeptidyl-peptidase 7 BU5N4E Benzyl (S)-6-amino-1-(2-(diphenoxyphosphoryl)pyrrolidin-1-yl)-1-oxohexan-2-ylcarbamate Investigative 10393133 C30H36N3O6P 565.6 C1CC(N(C1)C(=O)[C@H](CCCCN)NC(=O)OCC2=CC=CC=C2)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4 IC50 > 500000 nM Non binder T50773 Dipeptidyl-peptidase 7 BX4IY0 2-(Benzylamino)-1-cyclopentylethanethione Investigative 44387756 C14H19NS 233.37 C1CCC(C1)C(=S)CNCC2=CC=CC=C2 IC50 > 250000 nM Non binder T50773 Dipeptidyl-peptidase 7 BXMR21 1-Isoleucyl-3-pyrroline Investigative 10845163 C10H18N2O 182.26 CC[C@H](C)[C@@H](C(=O)N1CC=CC1)N IC50 = 288000 nM Non binder T50773 Dipeptidyl-peptidase 7 BXMS65 2-Amino-3-methyl-pentanoic acid ethyl-methyl-amide Investigative 23595882 C9H20N2O 172.27 CCC(C)C(C(=O)N(C)CC)N IC50 > 500000 nM Non binder T50773 Dipeptidyl-peptidase 7 BYKP05 (2S)-1-[(2S)-2-Amino-3-(2-fluorophenyl)propanoyl]pyrrolidine-2-carbonitrile Investigative 72697059 C14H16FN3O 261.29 C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=CC=C2F)N)C#N IC50 = 296900 nM Non binder T50773 Dipeptidyl-peptidase 7 BZ16NK Diphenyl 2-((2S,3R)-2-amino-3-methylpentanoyl)isoindolin-1-ylphosphonate Investigative 23655474 C26H29N2O4P 464.5 CC[C@@H](C)[C@@H](C(=O)N1CC2=CC=CC=C2C1P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)N IC50 > 250000 nM Non binder T50773 Dipeptidyl-peptidase 7 D07IJU (S)-pyrrolidin-1-yl(pyrrolidin-2-yl)methanone Investigative 13578534 C9H16N2O 168.24 C1CCN(C1)C(=O)[C@@H]2CCCN2 IC50 > 500000 nM Non binder