TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T49031 Proteasome beta-5 D0T9TJ Orlistat Approved 3034010 C29H53NO5 495.7 CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O IC50 ~ 100000 nM Poor binder T49031 Proteasome beta-5 B05DWI N-[(S)-2-Azido-3-phenylpropanoyl]-L-Leu-L-Leu-[(1S,2E)-1-[4-(aminomethyl)benzyl]-3-(methylsulfonyl)allyl]NH2 Investigative 71562349 C33H47N7O5S 653.8 CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)CN)/C=C/S(=O)(=O)C)NC(=O)[C@H](CC2=CC=CC=C2)N=[N+]=[N-] IC50 = 50000 nM Poor binder T49031 Proteasome beta-5 B2PCS7 (2S)-N-[(E,2S)-1-[4-(Aminomethyl)phenyl]-4-methylsulfonylbut-3-en-2-yl]-2-[[(2S)-3-(4-aminophenyl)-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanamide Investigative 71561736 C36H46N8O5S 702.9 CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)CN)/C=C/S(=O)(=O)C)NC(=O)[C@H](CC2=CC=C(C=C2)N)NC(=O)[C@H](CC3=CC=CC=C3)N=[N+]=[N-] IC50 ~ 50000 nM Poor binder T49031 Proteasome beta-5 B36WOH Chembl4127928 Investigative 145962168 C29H48FN7O6S 641.8 CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CS(=O)(=O)F)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C IC50 = 69000 nM Poor binder T49031 Proteasome beta-5 B3QX7V Chembl4129702 Investigative 145962247 C31H46FN5O5S 619.8 CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)CN)CS(=O)(=O)F)NC(=O)[C@H](CC2=CC=CC=C2)N IC50 = 125000 nM Poor binder T49031 Proteasome beta-5 B5HO7E Chembl4212401 Investigative 145966472 C89H150N36O12 1916.4 CCC(=C(C1=CC=C(C=C1)OCCN2CCCCCC2)C3=CC=C(C=C3)OCCN4CCCCCC4)C5=CC(=CC=C5)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N IC50 ~ 50000 nM Poor binder T49031 Proteasome beta-5 B6K9SO Ac-hPhe-Leu-(D)-Ala-LeuVSMe Investigative 11613973 C29H46N4O6S 578.8 C[C@H](C(=O)N[C@@H](CC(C)C)/C=C/S(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)C IC50 = 56000 nM Poor binder T49031 Proteasome beta-5 B8FXZ4 (2S,3S)-N-[(2R)-1-(3,4-Dimethylanilino)-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-[(3-nitrophenyl)carbamothioylamino]pentanamide Investigative 137646135 C30H35N5O4S 561.7 CC[C@H](C)[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)C)C)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-] IC50 ~ 50000 nM Poor binder T49031 Proteasome beta-5 B92BLZ Chembl4128074 Investigative 145960456 C27H46FN7O5S 599.8 CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CS(=O)(=O)F)NC(=O)[C@H](CC1=CC=CC=C1)N IC50 = 140000 nM Poor binder T49031 Proteasome beta-5 BCKL30 Methyl N'-[(2S,3S)-1-[[(2R)-1-(3,4-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-N-(3-nitrophenyl)carbamimidothioate Investigative 137639868 C31H37N5O4S 575.7 CC[C@H](C)[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)C)C)N=C(NC3=CC(=CC=C3)[N+](=O)[O-])SC IC50 ~ 50000 nM Poor binder T49031 Proteasome beta-5 BIB79Q Chembl4130108 Investigative 145961391 C29H48FN5O6S 613.8 CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)CS(=O)(=O)F)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C IC50 ~ 100000 nM Poor binder T49031 Proteasome beta-5 BL6ES0 (2S)-2-[[(2S)-3-[4-(Aminomethyl)phenyl]-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]propanoyl]amino]-N-[(E,2S)-1-[4-(aminomethyl)phenyl]-4-methylsulfonylbut-3-en-2-yl]-4-methylpentanamide Investigative 71561866 C37H48N8O5S 716.9 CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)CN)/C=C/S(=O)(=O)C)NC(=O)[C@H](CC2=CC=C(C=C2)CN)NC(=O)[C@H](CC3=CC=CC=C3)N=[N+]=[N-] IC50 ~ 50000 nM Poor binder T49031 Proteasome beta-5 BO2QI0 1,1'-[(2-Phenyl-1-buten-1-ylidene)bis(4,1-phenyleneoxy-2,1-ethanediyl)]bis[hexahydro-1H-azepine] Investigative 24966906 C38H50N2O2 566.8 CCC(=C(C1=CC=C(C=C1)OCCN2CCCCCC2)C3=CC=C(C=C3)OCCN4CCCCCC4)C5=CC=CC=C5 IC50 ~ 100000 nM Poor binder T49031 Proteasome beta-5 BO45XH Chembl4127967 Investigative 145963426 C27H46FN5O5S 571.8 CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)CS(=O)(=O)F)NC(=O)[C@H](CC1=CC=CC=C1)N IC50 ~ 100000 nM Poor binder T49031 Proteasome beta-5 BOWY37 Chembl4281070 Investigative 145980811 C39H47N5O10 745.8 C[C@@H](C(=O)N[C@@H](C[C@]1(C2=CC=CC=C2NC1=O)O)C(=O)NCCC(=O)OC)NC(=O)[C@H](CC3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C IC50 = 64000 nM Poor binder T49031 Proteasome beta-5 BR60LA (2S,3S)-2-[(4-Bromophenyl)carbamothioylamino]-N-[(2R)-1-(3-chloro-4-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide Investigative 137637883 C29H32BrClN4O2S 616 CC[C@H](C)[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)C)Cl)NC(=S)NC3=CC=C(C=C3)Br IC50 ~ 50000 nM Poor binder T49031 Proteasome beta-5 BU2YF4 Chembl4130258 Investigative 145963518 C27H44FN7O5S 597.7 CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)CS(=O)(=O)F)NC(=O)[C@H](CC1=CC=CC=C1)N=[N+]=[N-] IC50 = 67000 nM Poor binder T49031 Proteasome beta-5 BVWK74 (2S)-N-[(E,2S)-1-[4-(Aminomethyl)phenyl]-4-methylsulfonylbut-3-en-2-yl]-2-[[(2S)-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-methylpentanamide Investigative 71561735 C35H44N8O5S 688.8 CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)CN)/C=C/S(=O)(=O)C)NC(=O)[C@H](CC2=CC=NC=C2)NC(=O)[C@H](CC3=CC=CC=C3)N=[N+]=[N-] IC50 ~ 50000 nM Poor binder T49031 Proteasome beta-5 BXAF36 (2S,3S)-N-[(2R)-1-(3-Chloro-4-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-[(3-nitrophenyl)carbamothioylamino]pentanamide Investigative 137656187 C29H32ClN5O4S 582.1 CC[C@H](C)[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)C)Cl)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-] IC50 ~ 50000 nM Poor binder T49031 Proteasome beta-5 D05MDE Cbz-Ile-Pro-Ala-LeuVSMe Investigative 11505372 C30H46N4O7S 606.8 CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)/C=C/S(=O)(=O)C)NC(=O)OCC2=CC=CC=C2 IC50 = 150000 nM Poor binder