Compound,Smiles,Enzymatic IC50 (uM),Cellular EC50 (uM),Antiviral EC50 (uM),CC50 (uM),T1/2 (min),Clint(uL/min/kg),PDB Entry
MPI48,O=C(N[C@@H](CC(C)(C)C)C(N[C@@H](C[C@H]1C(NCC1)=O)C([H])=O)=O)C2=CC(C=CC=C3)=C3N2,0.029,1.6,,,,,7SD9
MPI49,O=C(N[C@@H](CC(C)(C)C)C(N[C@@H](C[C@H]1C(NCC1)=O)C([H])=O)=O)C2=CC(C(OC)=CC=C3)=C3N2,0.074,0.91,1.3,,,,7SDA
MPI50,O=C(N[C@@H](C[C@H]1C(NCC1)=O)C([H])=O)[C@H](CC(C)(C)C)NC(OCC2=CC=CC=C2)=O,0.053,0.73,0.75,,,,
MPI51,O=C(N[C@@H](C[C@H]1C(NCC1)=O)C([H])=O)[C@H](CC2CCCCC2)NC(OCC3=CC=CC=C3)=O,0.056,0.77,6.7,,,,
MPI52,O=C(N[C@@H](C[C@H]1C(NCC1)=O)C([H])=O)[C@H](CC2CCCCC2)NC(OCC3=CC(Cl)=CC=C3)=O,0.11,0.59,2.6,,,,
MPI53,O=C(N[C@@H](C[C@H]1C(NCC1)=O)C([H])=O)[C@H](CC2CCCCC2)NC(OCC3=CC(OC(C)=O)=CC=C3)=O,0.098,3.5,,,,,
MPI54,O=C(N[C@@H](C[C@H]1C(NCC1)=O)C([H])=O)[C@H]([C@@H](C)OC(C)(C)C)NC(OCC2=CC=CC=C2)=O,0.4,> 10,,,,,
VB-B-31,O=C(N[C@@H](C[C@H]1C(NCC1)=O)C#N)[C@H](CC2CCCCC2)NC(C(F)(F)F)=O,> 2,,,,,,
MPI55,O=C(N1C[C@H](OC(C)(C)C)C[C@H]1C(N[C@H](C([H])=O)C[C@@H]2CCNC2=O)=O)OCC3=CC=CC=C3,0.56,,,,,,
MPI56,O=C(N1C[C@H](C2CCCCC2)C[C@H]1C(N[C@H](C([H])=O)C[C@@H]3CCNC3=O)=O)OCC4=CC=CC=C4,0.51,,,,,,
MPI57,O=C(N1C[C@H](C2(C)C)[C@H]2[C@H]1C(N[C@H](C([H])=O)C[C@@H]3CCNC3=O)=O)OCC4=CC=CC=C4,0.025,1.1,1.5,,,,
MPI58,O=C(N1CC2(CC2)C[C@H]1C(N[C@H](C([H])=O)C[C@@H]3CCNC3=O)=O)OCC4=CC=CC=C4,0.025,0.66,3.6,,,,
MPI59,O=C(N1CC2(CCC2)C[C@H]1C(N[C@H](C([H])=O)C[C@@H]3CCNC3=O)=O)OCC4=CC=CC=C4,0.03,0.43,0.56,,,,
MPI60,O=C(N1CC2(CCCC2)CC1C(N[C@H](C([H])=O)C[C@@H]3CCNC3=O)=O)OCC4=CC=CC=C4,0.022,0.088,0.37,95,109,16,8STY
MPI61,O=C(N1CC2(CCCCC2)CC1C(N[C@H](C([H])=O)C[C@@H]3CCNC3=O)=O)OCC4=CC=CC=C4,0.049,0.085,0.37,230,38,45,
MI-09,O=C(N1C[C@H](C2(C)C)[C@H]2[C@H]1C(N[C@H](C([H])=O)C[C@@H]3CCNC3=O)=O)COC4=CC=C(OC(F)(F)F)C=C4,0.055,0.27,,,,,7SDC
MI-14,O=C(N1C[C@H](C2(C)C)[C@H]2[C@H]1C(N[C@H](C([H])=O)C[C@@H]3CCNC3=O)=O)COC4=C(Cl)C=C(Cl)C=C4,0.028,0.28,,,,,
MI-30,O=C(N1C[C@H]2[C@H](CCC2)[C@H]1C(N[C@H](C([H])=O)C[C@@H]3CCNC3=O)=O)COC4=C(Cl)C=C(Cl)C=C4,0.04,0.65,,,,,
MI-31,O=C(N1C[C@H]2[C@H](CCC2)[C@H]1C(N[C@H](C([H])=O)C[C@@H]3CCNC3=O)=O)COC4=CC(Cl)=C(Cl)C=C4,0.042,2.7,,,,,
YR-B-101,CC(C)(C)OC(N1CC2(CCC2)C[C@H]1C(N[C@H](C([H])=O)C[C@@H]3CCNC3=O)=O)=O,> 5,,,,,,
MPI62,O=C(N1C[C@H](C2(C)C)[C@H]2[C@H]1C(N[C@H](C([H])=O)C[C@@H]3CCNC3=O)=O)CNC4=CC=C(Cl)C=C4,0.99,,,,,,
MPI63,O=C(N1CC2(CC2)C[C@H]1C(N[C@H](C([H])=O)C[C@@H]3CCNC3=O)=O)COC4=C(Cl)C=C(Cl)C=C4,0.039,2.9,,,,,
MPI64,O=C(N1C[C@H](C2(C)C)[C@H]2[C@H]1C(N[C@H](C([H])=O)C[C@@H]3CCNC3=O)=O)COC4CCCCC4,0.025,3.6,,,,,
MPI65,O=C(N1C[C@H](C2(C)C)[C@H]2[C@H]1C(N[C@H](C([H])=O)C[C@@H]3CCNC3=O)=O)CCC4CCCCC4,0.041,0.56,0.96,,,,
MPI66-1,O=C(N1CC2(CCCC2)CC1C(N[C@H](C#N)C[C@@H]3CCNC3=O)=O)OCC4=CC=CC=C4,2.2,,,,,,
MPI66-2,O=C(N1CC2(CCCC2)CC1C(N[C@H](C#N)C[C@@H]3CCNC3=O)=O)OCC4=CC(Cl)=CC=C4,3.6,,,,,,
MPI66-3,O=C(N1CC2(CCCC2)CC1C(N[C@H](C=O)C[C@H]3C(NCC3)=O)=O)C4=CC(C(OC)=CC=C5)=C5N4,1.5,,,,,,
MPI66-4,O=C(N1CC2(CCCC2)CC1C(N[C@H](C#N)C[C@@H]3CCCNC3=O)=O)C4=CC(C(OC)=CC=C5)=C5N4,6,,,,,,
MPI67,O=C(N1CC2(CCCCC2)CC1C(N[C@H](C#N)C[C@@H]3CCNC3=O)=O)OCC4=CC=CC=C4,1.4,,,,,,