TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T63068 Serum albumin D00BCP Chlorpropamide Approved 2727 C10H13ClN2O3S 276.74 CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl Ki = 39800000000000 nM Non binder T63068 Serum albumin D04VMT Sotalol Approved 5253 C12H20N2O3S 272.37 CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O Ki = 355000000000 nM Non binder T63068 Serum albumin D06OIV Tolbutamide Approved 5505 C12H18N2O3S 270.35 CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C Ki = 39800000000000 nM Non binder T63068 Serum albumin D07HBX Salicyclic acid Approved 338 C7H6O3 138.12 C1=CC=C(C(=C1)C(=O)O)O Ki = 5890000000000 nM Non binder T63068 Serum albumin D08LFZ Diflunisal Approved 3059 C13H8F2O3 250.2 C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O Ki = 58900000000000 nM Non binder T63068 Serum albumin D09BHB Tolmetin Approved 5509 C15H15NO3 257.279 CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O Ki = 417000000000000 nM Non binder T63068 Serum albumin D09FJB Tolazamide Approved 5503 C14H21N3O3S 311.4 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2 Ki = 53700000000000 nM Non binder T63068 Serum albumin D0A1PX Flurbiprofen Approved 3394 C15H13FO2 244.26 CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O Ki = 331000000000000 nM Non binder T63068 Serum albumin D0D8VE Halothane Approved 3562 C2HBrClF3 197.38 C(C(F)(F)F)(Cl)Br IC50 = 2900000 nM Non binder T63068 Serum albumin D0D9JW Ketorolac Approved 3826 C15H13NO3 255.27 C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O Ki = 209000000000000 nM Non binder T63068 Serum albumin D0PQ3G Furosemide Approved 3440 C12H11ClN2O5S 330.74 C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl Ki = 138000000000000 nM Non binder T63068 Serum albumin D0R1QE Ibuprofen Approved 3672 C13H18O2 206.28 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O Ki = 166000000000000 nM Non binder T63068 Serum albumin D0R1RS Indomethacin Approved 3715 C19H16ClNO4 357.8 CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O Ki = 15100000000000 nM Non binder T63068 Serum albumin D0TG1H Diclofenac Approved 3033 C14H11Cl2NO2 296.1 C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl Ki = 331000000000000 nM Non binder T63068 Serum albumin D0U4UQ Hydrochlorothiazide Approved 3639 C7H8ClN3O4S2 297.7 C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl Ki = 2290000000000 nM Non binder T63068 Serum albumin D0W9WF Ketoprofen Approved 3825 C16H14O3 254.28 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O Ki = 209000000000000 nM Non binder T63068 Serum albumin D0Z5IU Sulindac Approved 1548887 C20H17FO3S 356.4 CC\\1=C(C2=C(/C1=C\\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O Ki = 26300000000000 nM Non binder T63068 Serum albumin D0LJ1B Reparixin Phase 3 9838712 C14H21NO3S 283.39 C[C@H](C1=CC=C(C=C1)CC(C)C)C(=O)NS(=O)(=O)C Ki = 1660000000000000 nM Non binder T63068 Serum albumin D0C0JT Nimesulide Withdrawn from market 4495 C13H12N2O5S 308.31 CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 Ki = 15100000000000 nM Non binder T63068 Serum albumin B06YEH 4'-(Aminomethyl)biphenyl-4-carboxylic acid Investigative 23005017 C14H13NO2 227.26 C1=CC(=CC=C1CN)C2=CC=C(C=C2)C(=O)O Ki = 1000000000000 nM Non binder T63068 Serum albumin B3ONP8 (2R)-2-[4-(2-Methylpropyl)phenyl]-N-(3-piperidin-1-ylpropyl)propanamide Investigative 9951088 C21H34N2O 330.5 C[C@H](C1=CC=C(C=C1)CC(C)C)C(=O)NCCCN2CCCCC2 Ki = 9550000000000 nM Non binder T63068 Serum albumin B7QKP5 Ladarixin Investigative 11372270 C11H12F3NO6S2 375.3 C[C@H](C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)NS(=O)(=O)C Ki = 832000000000000 nM Non binder T63068 Serum albumin B7YV4G 3'-(Aminomethyl)-4'-fluorobiphenyl-4-carboxylic acid Investigative 44399671 C14H12FNO2 245.25 C1=CC(=CC=C1C2=CC(=C(C=C2)F)CN)C(=O)O Ki = 1000000000000 nM Non binder T63068 Serum albumin B9LTR2 Biphenyl-3-carboxylic acid Investigative 12854 C13H10O2 198.22 C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O Ki = 251000000000000 nM Non binder T63068 Serum albumin BAX5S8 D-Alanine,N-[(2R)-2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]- Investigative 11242882 C16H23NO3 277.36 C[C@H](C1=CC=C(C=C1)CC(C)C)C(=O)N[C@H](C)C(=O)O Ki = 39800000000000 nM Non binder T63068 Serum albumin BBOT96 4'-Aminobiphenyl-3-carboxylic acid Investigative 2772300 C13H11NO2 213.23 C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)N Ki = 6170000000000 nM Non binder T63068 Serum albumin BC86AB 4-Biphenylcarboxylic acid Investigative 66724 C13H10O2 198.22 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O Ki = 200000000000000 nM Non binder T63068 Serum albumin BDFY43 5-Tert-Butyl-2-hydroxybenzoic acid Investigative 85281 C11H14O3 194.23 CC(C)(C)C1=CC(=C(C=C1)O)C(=O)O Ki = 20400000000000 nM Non binder T63068 Serum albumin BF13QB [4-[(2R)-1-Oxo-1-(3-pyrrolidin-1-ylpropylamino)propan-2-yl]phenyl] trifluoromethanesulfonate Investigative 11304367 C17H23F3N2O4S 408.4 C[C@H](C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)NCCCN2CCCC2 Ki = 2690000000000 nM Non binder T63068 Serum albumin BG79VA 3-Bromo-3-(2-chloro-1,1,2-trifluoroethyl)diazirine Investigative 11075469 C3HBrClF3N2 237.4 C(C(C1(N=N1)Br)(F)F)(F)Cl IC50 = 700000 nM Non binder T63068 Serum albumin BHBO67 1-Azido-2-bromo-2-chloro-1,1-difluoro-ethane Investigative 10944023 C2HBrClF2N3 220.4 C(C(N=[N+]=[N-])(F)F)(Cl)Br IC50 = 300000 nM Non binder T63068 Serum albumin BI5J0O 3-(3,5-Dichlorophenyl)benzoic Acid Investigative 2758079 C13H8Cl2O2 267.1 C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC(=C2)Cl)Cl Ki = 5750000000000 nM Non binder T63068 Serum albumin BK53FG 3-(2-Chloro-1,1,2-trifluoroethyl)-3-fluorodiazirine Investigative 11041260 C3HClF4N2 176.5 C(C(C1(N=N1)F)(F)F)(F)Cl IC50 = 2200000 nM Non binder T63068 Serum albumin BM04XT 2-[4-(6-Methoxy-3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid Investigative 24756543 C18H17NO4 311.3 CC(C1=CC=C(C=C1)N2CC3=C(C2=O)C=CC(=C3)OC)C(=O)O Ki = 81300000000000 nM Non binder T63068 Serum albumin BM10NL 3H-Diazirine, 3-bromo-3-(trifluoromethyl)- Investigative 9990042 C2BrF3N2 188.93 C1(N=N1)(C(F)(F)F)Br IC50 = 400000 nM Non binder T63068 Serum albumin BM2J5N 2',4'-Dichlorobiphenyl-3-carboxylic acid Investigative 21094539 C13H8Cl2O2 267.1 C1=CC(=CC(=C1)C(=O)O)C2=C(C=C(C=C2)Cl)Cl Ki = 24000000000000 nM Non binder T63068 Serum albumin BM61AZ (2R)-N-[3-(Dimethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide Investigative 9880425 C18H30N2O 290.4 C[C@H](C1=CC=C(C=C1)CC(C)C)C(=O)NCCCN(C)C Ki = 5010000000000 nM Non binder T63068 Serum albumin BN3ID2 3',5'-Bis(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid Investigative 23005108 C15H8F6O2 334.21 C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F Ki = 3090000000000 nM Non binder T63068 Serum albumin BN56LF [4-[(2R)-1-Amino-1-oxopropan-2-yl]phenyl] trifluoromethanesulfonate Investigative 11289471 C10H10F3NO4S 297.25 C[C@H](C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)N Ki = 19100000000000 nM Non binder T63068 Serum albumin BOT9W7 3'-Amino-4-hydroxybiphenyl-3-carboxylic acid Investigative 10955342 C13H11NO3 229.23 C1=CC(=CC(=C1)N)C2=CC(=C(C=C2)O)C(=O)O Ki = 2750000000000 nM Non binder T63068 Serum albumin BRD3I6 3-[4-[(2R)-1-(Methanesulfonamido)-1-oxopropan-2-yl]phenyl]-2-methylpropanoic acid Investigative 11324448 C14H19NO5S 313.37 C[C@H](C1=CC=C(C=C1)CC(C)C(=O)O)C(=O)NS(=O)(=O)C Ki = 3890000000000 nM Non binder T63068 Serum albumin BRP62G [4-[(2R)-1-Oxo-1-(2-pyrrolidin-1-ylethylamino)propan-2-yl]phenyl] trifluoromethanesulfonate Investigative 11234806 C16H21F3N2O4S 394.4 C[C@H](C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)NCCN2CCCC2 Ki = 3890000000000 nM Non binder T63068 Serum albumin BS0VP3 3-(2-Bromo-2-chloro-1,1-difluoroethyl)-3H-diazirine Investigative 10036388 C3H2BrClF2N2 219.41 C1(N=N1)C(C(Cl)Br)(F)F IC50 = 800000 nM Non binder T63068 Serum albumin BS2A0M 2-Hydroxy-5-isopropylbenzoic acid Investigative 12540049 C10H12O3 180.2 CC(C)C1=CC(=C(C=C1)O)C(=O)O Ki = 26300000000000 nM Non binder T63068 Serum albumin BSRM13 3'-Amino-[1,1'-biphenyl]-3-carboxylic acid Investigative 2772299 C13H11NO2 213.23 C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC=C2)N Ki = 7760000000000 nM Non binder T63068 Serum albumin BTR16K 4-Hydroxy[1,1'-biphenyl]-3-carboxylic acid Investigative 67584 C13H10O3 214.22 C1=CC=C(C=C1)C2=CC(=C(C=C2)O)C(=O)O Ki = 100000000000000 nM Non binder T63068 Serum albumin BUL10N 2,2,2-Trifluorodiazoethane Investigative 9898808 C2HF3N2 110.04 C(=[N+]=[N-])C(F)(F)F IC50 = 1200000 nM Non binder T63068 Serum albumin BWBJ54 4-Phenylphenol Investigative 7103 C12H10O 170.21 C1=CC=C(C=C1)C2=CC=C(C=C2)O Ki = 9550000000000 nM Non binder T63068 Serum albumin BWQ8Z2 (2R)-N-[2-(2-Hydroxyethoxy)ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide Investigative 9922143 C17H27NO3 293.4 C[C@H](C1=CC=C(C=C1)CC(C)C)C(=O)NCCOCCO Ki = 8130000000000 nM Non binder T63068 Serum albumin BY9S1P Zomepirac Investigative 5733 C15H14ClNO3 291.73 CC1=C(N(C(=C1)CC(=O)O)C)C(=O)C2=CC=C(C=C2)Cl Ki = 110000000000000 nM Non binder T63068 Serum albumin D05FMD 5-Chlorosalicylic Acid Investigative 9447 C7H5ClO3 172.56 C1=CC(=C(C=C1Cl)C(=O)O)O Ki = 21400000000000 nM Non binder