TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T11808 Kallikrein-5 B1DKQ4 2-O-[(3R,3Ar,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate Investigative 76317472 C23H31NO7 433.5 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3OCC4=CC=CC=C4 IC50 = 520700 nM Non binder T11808 Kallikrein-5 BDN6S5 [(3R,3Ar,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Investigative 76328379 C23H33NO7S 467.6 CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OCC3=CC=CC=C3 IC50 = 356600 nM Non binder T11808 Kallikrein-5 BE47TJ Benzyl (2R)-2-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate Investigative 76335659 C26H30N2O6 466.5 C1C[C@@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N[C@H]3CO[C@H]4[C@@H]3OC[C@H]4OCC5=CC=CC=C5 IC50 = 320600 nM Non binder T11808 Kallikrein-5 BH14DR Tert-butyl N-[(2R)-1-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate Investigative 76324824 C23H34N2O6 434.5 CC(C)[C@H](C(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OCC3=CC=CC=C3)NC(=O)OC(C)(C)C IC50 = 479800 nM Non binder T11808 Kallikrein-5 BP7O1U [(3R,3Ar,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Investigative 76310252 C29H34N2O7 522.6 CC(C)(C)OC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4OCC5=CC=CC=C5 IC50 = 376600 nM Non binder T11808 Kallikrein-5 BVDG31 N-[(Z)-3-[[(3R,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide Investigative 70686944 C30H28N2O7 528.6 C1[C@H]([C@@H]2[C@H](O1)[C@@H](CO2)OCC3=CC=CC=C3)NC(=O)/C(=C/C4=CC5=C(C=C4)OCO5)/NC(=O)C6=CC=CC=C6 Ki = 357100 nM Non binder T11808 Kallikrein-5 BXDR94 [(3R,3Ar,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Investigative 76328377 C23H33NO7 435.5 CC(C)[C@H](C(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OCC3=CC=CC=C3)NC(=O)OC(C)(C)C IC50 = 222900 nM Non binder