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PubMed code 34798775

Compile Data Set for Download or QSAR

Found 961 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512405
PNG
(acs.jmedchem.1c00409_ST.2)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1cccc(c1)N(C)C)C(C)C)C(=O)N[C@H](C[C@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C35H46N6O6S/c1-20(2)16-27(38-34(46)30(21(3)4)40-29(42)19-47-24-11-9-10-23(18-24)41(5)6)33(45)37-26(17-22-14-15-36-32(22)44)31(43)35-39-25-12-7-8-13-28(25)48-35/h7-13,18,20-22,26-27,30H,14-17,19H2,1-6H3,(H,36,44)(H,37,45)(H,38,46)(H,40,42)/t22-,26-,27-,30-/m1/s1
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3n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512406
PNG
(acs.jmedchem.1c00409_ST.3)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@H](C[C@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H41N5O6S/c1-19(2)16-25(36-31(42)27(20(3)4)38-33(43)44-18-21-10-6-5-7-11-21)30(41)35-24(17-22-14-15-34-29(22)40)28(39)32-37-23-12-8-9-13-26(23)45-32/h5-13,19-20,22,24-25,27H,14-18H2,1-4H3,(H,34,40)(H,35,41)(H,36,42)(H,38,43)/t22-,24-,25-,27-/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512689
PNG
(acs.jmedchem.1c00409_ST.283)
Show SMILES COc1ccccc1OCC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C[C@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C34H43N5O7S/c1-19(2)16-24(37-33(44)29(20(3)4)39-28(40)18-46-26-12-8-7-11-25(26)45-5)32(43)36-23(17-21-14-15-35-31(21)42)30(41)34-38-22-10-6-9-13-27(22)47-34/h6-13,19-21,23-24,29H,14-18H2,1-5H3,(H,35,42)(H,36,43)(H,37,44)(H,39,40)/t21-,23-,24-,29-/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429242
PNG
(acs.jmedchem.1c00409_ST.4 | jm5b01461, Compound 59)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C30H33N5O5S/c1-16(2)13-22(34-29(39)23-15-18-19(32-23)8-6-9-24(18)40-3)28(38)33-21(14-17-11-12-31-27(17)37)26(36)30-35-20-7-4-5-10-25(20)41-30/h4-10,15-17,21-22,32H,11-14H2,1-3H3,(H,31,37)(H,33,38)(H,34,39)/t17-,21-,22-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59242
PNG
(Benzotriazole ester, 8 | acs.jmedchem.1c00409_ST.6...)
Show SMILES O=C(On1nnc2ccccc12)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C15H10N4O2/c20-15(11-5-6-12-10(9-11)7-8-16-12)21-19-14-4-2-1-3-13(14)17-18-19/h1-9,16H
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7.5n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512410
PNG
(acs.jmedchem.1c00409_ST.7)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccc(O)cc1)C(C)C)C(=O)N[C@H](C[C@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H41N5O7S/c1-18(2)15-25(36-32(44)28(19(3)4)38-27(40)17-45-22-11-9-21(39)10-12-22)31(43)35-24(16-20-13-14-34-30(20)42)29(41)33-37-23-7-5-6-8-26(23)46-33/h5-12,18-20,24-25,28,39H,13-17H2,1-4H3,(H,34,42)(H,35,43)(H,36,44)(H,38,40)/t20-,24-,25-,28-/m1/s1
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11n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59240
PNG
(Benzotriazole ester, 6 | acs.jmedchem.1c00409_ST.8)
Show SMILES CCN(CC)c1ccc(cc1)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C17H18N4O2/c1-3-20(4-2)14-11-9-13(10-12-14)17(22)23-21-16-8-6-5-7-15(16)18-19-21/h5-12H,3-4H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59243
PNG
(Benzotriazole ester, 9 | acs.jmedchem.1c00409_ST.1...)
Show SMILES O=C(On1nnc2ccccc12)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H10N4O2/c20-15(13-9-10-5-1-2-6-11(10)16-13)21-19-14-8-4-3-7-12(14)17-18-19/h1-9,16H
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12n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59239
PNG
(Benzotriazole ester, 5 | acs.jmedchem.1c00409_ST.9)
Show SMILES CNc1ccc(cc1)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C14H12N4O2/c1-15-11-8-6-10(7-9-11)14(19)20-18-13-5-3-2-4-12(13)16-17-18/h2-9,15H,1H3
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12n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512415
PNG
(acs.jmedchem.1c00409_ST.12)
Show SMILES COc1ccc(OCC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C[C@H]2CCNC2=O)C(=O)c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C34H43N5O7S/c1-19(2)16-26(37-33(44)29(20(3)4)39-28(40)18-46-23-12-10-22(45-5)11-13-23)32(43)36-25(17-21-14-15-35-31(21)42)30(41)34-38-24-8-6-7-9-27(24)47-34/h6-13,19-21,25-26,29H,14-18H2,1-5H3,(H,35,42)(H,36,43)(H,37,44)(H,39,40)/t21-,25-,26-,29-/m1/s1
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14n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59244
PNG
(Benzotriazole ester, 10 | acs.jmedchem.1c00409_ST....)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C15H9FN4O2/c16-10-5-6-11-9(7-10)8-13(17-11)15(21)22-20-14-4-2-1-3-12(14)18-19-20/h1-8,17H
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14n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59238
PNG
(Benzotriazole ester, 4 | acs.jmedchem.1c00409_ST.1...)
Show SMILES CN(C)c1ccc(cc1)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C15H14N4O2/c1-18(2)12-9-7-11(8-10-12)15(20)21-19-14-6-4-3-5-13(14)16-17-19/h3-10H,1-2H3
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17n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59237
PNG
(Benzotriazole ester, 3 | acs.jmedchem.1c00409_ST.1...)
Show SMILES Nc1ccccc1C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C13H10N4O2/c14-10-6-2-1-5-9(10)13(18)19-17-12-8-4-3-7-11(12)15-16-17/h1-8H,14H2
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20n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512421
PNG
(acs.jmedchem.1c00409_ST.18)
Show SMILES CC(C)C[C@H](NC(=O)c1nc2ccccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H30N6O4S/c1-15(2)13-21(33-27(38)24-30-17-7-3-4-8-18(17)31-24)26(37)32-20(14-16-11-12-29-25(16)36)23(35)28-34-19-9-5-6-10-22(19)39-28/h3-10,15-16,20-21H,11-14H2,1-2H3,(H,29,36)(H,30,31)(H,32,37)(H,33,38)/t16-,20-,21-/m0/s1
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22n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512422
PNG
(acs.jmedchem.1c00409_ST.19)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccccc1)C(C)C)C(=O)N[C@H](C[C@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H41N5O6S/c1-19(2)16-25(36-32(43)28(20(3)4)38-27(39)18-44-22-10-6-5-7-11-22)31(42)35-24(17-21-14-15-34-30(21)41)29(40)33-37-23-12-8-9-13-26(23)45-33/h5-13,19-21,24-25,28H,14-18H2,1-4H3,(H,34,41)(H,35,42)(H,36,43)(H,38,39)/t21-,24-,25-,28-/m1/s1
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22n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429417
PNG
(acs.jmedchem.1c00409_ST.20 | med.21724, Compound 9...)
Show SMILES O=C(On1nnc2ccccc12)c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C14H9N5O2/c20-14(9-5-6-10-12(7-9)16-8-15-10)21-19-13-4-2-1-3-11(13)17-18-19/h1-8H,(H,15,16)
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23n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512424
PNG
(acs.jmedchem.1c00409_ST.21)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(O)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H31N5O5S/c1-15(2)12-21(33-28(39)22-14-17-18(31-22)7-5-8-23(17)35)27(38)32-20(13-16-10-11-30-26(16)37)25(36)29-34-19-6-3-4-9-24(19)40-29/h3-9,14-16,20-21,31,35H,10-13H2,1-2H3,(H,30,37)(H,32,38)(H,33,39)/t16-,20-,21-/m0/s1
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26n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512425
PNG
(acs.jmedchem.1c00409_ST.22)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H30ClN5O4S/c1-15(2)11-22(34-28(39)23-14-17-12-18(30)7-8-19(17)32-23)27(38)33-21(13-16-9-10-31-26(16)37)25(36)29-35-20-5-3-4-6-24(20)40-29/h3-8,12,14-16,21-22,32H,9-11,13H2,1-2H3,(H,31,37)(H,33,38)(H,34,39)/t16-,21-,22-/m0/s1
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28n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11234
PNG
((2S)-N-(2-chloro-4-nitrophenyl)-2-{[4-(dimethylami...)
Show SMILES CN(C)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C24H23ClN4O4/c1-28(2)18-10-8-17(9-11-18)23(30)27-22(14-16-6-4-3-5-7-16)24(31)26-21-13-12-19(29(32)33)15-20(21)25/h3-13,15,22H,14H2,1-2H3,(H,26,31)(H,27,30)/t22-/m0/s1
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30n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512429
PNG
(acs.jmedchem.1c00409_ST.24)
Show SMILES CC(C)COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H39N5O5S/c1-18(2)14-25(37-32(42)26-16-21-22(35-26)9-7-10-27(21)43-17-19(3)4)31(41)36-24(15-20-12-13-34-30(20)40)29(39)33-38-23-8-5-6-11-28(23)44-33/h5-11,16,18-20,24-25,35H,12-15,17H2,1-4H3,(H,34,40)(H,36,41)(H,37,42)/t20-,24-,25-/m0/s1
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30n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512436
PNG
(acs.jmedchem.1c00409_ST.29)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(C)=O)C[C@@H]1CCNC1=O
Show InChI InChI=1S/C32H49N5O7/c1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-11,20,23-26H,12-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t23-,24+,25-,26-/m0/s1
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38n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429360
PNG
(acs.jmedchem.1c00409_ST.31 | cmdc.202100576, 4a | ...)
Show SMILES OB(O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)B(O)O)cc1
Show InChI InChI=1S/C20H16B2N4O10/c27-19(11-5-13(21(29)30)9-17(7-11)25(33)34)23-15-1-2-16(4-3-15)24-20(28)12-6-14(22(31)32)10-18(8-12)26(35)36/h1-10,29-32H,(H,23,27)(H,24,28)
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40n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512442
PNG
(acs.jmedchem.1c00409_ST.35)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2cc(OC(C)C)ccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C32H37N5O5S/c1-17(2)13-25(36-31(41)26-16-20-14-21(42-18(3)4)9-10-22(20)34-26)30(40)35-24(15-19-11-12-33-29(19)39)28(38)32-37-23-7-5-6-8-27(23)43-32/h5-10,14,16-19,24-25,34H,11-13,15H2,1-4H3,(H,33,39)(H,35,40)(H,36,41)/t19-,24-,25-/m0/s1
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48n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429357
PNG
(JMF158 | jm5b01461, Compound 174)
Show SMILES OC(=O)CC1N[Zn]2(NC(CC(O)=O)C(=O)O2)OC1=O
Show InChI InChI=1S/2C4H6NO4.Zn/c2*5-2(4(8)9)1-3(6)7;/h2*2,5H,1H2,(H,6,7)(H,8,9);/q2*-1;+4/p-2
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50n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512446
PNG
(acs.jmedchem.1c00409_ST.39)
Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CNC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Show InChI InChI=1S/C32H49N5O7/c1-21(44-32(2,3)4)27(37-31(42)43-20-22-11-7-5-8-12-22)30(41)36-26(18-34-24-13-9-6-10-14-24)29(40)35-25(19-38)17-23-15-16-33-28(23)39/h5,7-8,11-12,19,21,23-27,34H,6,9-10,13-18,20H2,1-4H3,(H,33,39)(H,35,40)(H,36,41)(H,37,42)/t21?,23-,25-,26-,27-/m0/s1
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53n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11232
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C
Show InChI InChI=1S/C33H50N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t22?,24-,25+,26-,28-/m0/s1
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58n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512454
PNG
(acs.jmedchem.1c00409_ST.47)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@H](C[C@H]1CCNC1=O)C(=O)c1ncc(s1)-c1ccccc1
Show InChI InChI=1S/C35H43N5O6S/c1-21(2)17-27(39-33(44)29(22(3)4)40-35(45)46-20-23-11-7-5-8-12-23)32(43)38-26(18-25-15-16-36-31(25)42)30(41)34-37-19-28(47-34)24-13-9-6-10-14-24/h5-14,19,21-22,25-27,29H,15-18,20H2,1-4H3,(H,36,42)(H,38,43)(H,39,44)(H,40,45)/t25-,26-,27-,29-/m1/s1
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60n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512458
PNG
(acs.jmedchem.1c00409_ST.51)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H31N5O4S/c1-16(2)13-22(33-28(38)23-14-17-7-3-4-8-19(17)31-23)27(37)32-21(15-18-11-12-30-26(18)36)25(35)29-34-20-9-5-6-10-24(20)39-29/h3-10,14,16,18,21-22,31H,11-13,15H2,1-2H3,(H,30,36)(H,32,37)(H,33,38)/t18-,21-,22-/m0/s1
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65n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512459
PNG
(acs.jmedchem.1c00409_ST.52)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C30H33N5O5S/c1-16(2)12-23(34-29(39)24-15-18-13-19(40-3)8-9-20(18)32-24)28(38)33-22(14-17-10-11-31-27(17)37)26(36)30-35-21-6-4-5-7-25(21)41-30/h4-9,13,15-17,22-23,32H,10-12,14H2,1-3H3,(H,31,37)(H,33,38)(H,34,39)/t17-,22-,23-/m0/s1
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67n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512460
PNG
(acs.jmedchem.1c00409_ST.53)
Show SMILES CC(C)C(NC(=O)C(C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[C@@H](O)[C@H](O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(C)NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C54H66N8O10/c1-31(2)45(61-49(65)33(5)57-53(69)71-29-35-17-9-7-10-18-35)51(67)59-43(25-37-27-55-41-23-15-13-21-39(37)41)47(63)48(64)44(26-38-28-56-42-24-16-14-22-40(38)42)60-52(68)46(32(3)4)62-50(66)34(6)58-54(70)72-30-36-19-11-8-12-20-36/h7-24,27-28,31-34,43-48,55-56,63-64H,25-26,29-30H2,1-6H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,65)(H,62,66)/t33?,34?,43-,44-,45?,46?,47+,48+/m0/s1
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73n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512474
PNG
(acs.jmedchem.1c00409_ST.67)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)OC(C)(C)C)C(=O)N[C@H](CCC(=O)C1CC1)C[C@@H]1CCNC1=O
Show InChI InChI=1S/C34H52N4O7/c1-21(2)18-27(31(41)36-26(14-15-28(39)24-12-13-24)19-25-16-17-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-11,21-22,24-27,29H,12-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t22-,25+,26-,27+,29+/m1/s1
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99n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Replicase polyprotein 1ab


(2019-nCoV)
BDBM429351
PNG
(acs.jmedchem.1c00409_ST.71 | jm5b01461, Compound 1...)
Show SMILES CC(=O)O[Hg]c1ccccc1
Show InChI InChI=1S/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1
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110n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512480
PNG
(acs.jmedchem.1c00409_ST.73)
Show SMILES CC(C)C[C@H](NC(=O)C1Cc2ccccc2N1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H33N5O4S/c1-16(2)13-22(33-28(38)23-14-17-7-3-4-8-19(17)31-23)27(37)32-21(15-18-11-12-30-26(18)36)25(35)29-34-20-9-5-6-10-24(20)39-29/h3-10,16,18,21-23,31H,11-15H2,1-2H3,(H,30,36)(H,32,37)(H,33,38)/t18-,21-,22-,23?/m0/s1
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120n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50055218
PNG
(1-(2-naphthlmethyl) isatin-5-carboxamide | 1-Napht...)
Show SMILES NC(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24)
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120n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512487
PNG
(acs.jmedchem.1c00409_ST.80)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2cc(O)ccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H31N5O5S/c1-15(2)11-22(33-28(39)23-14-17-12-18(35)7-8-19(17)31-23)27(38)32-21(13-16-9-10-30-26(16)37)25(36)29-34-20-5-3-4-6-24(20)40-29/h3-8,12,14-16,21-22,31,35H,9-11,13H2,1-2H3,(H,30,37)(H,32,38)(H,33,39)/t16-,21-,22-/m0/s1
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160n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512524
PNG
(acs.jmedchem.1c00409_ST.117)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1cccc(c1)N(C)C)C(C)C)C(=O)N[C@H](C[C@H]1CCNC1=O)C(=O)c1ncc(s1)-c1ccccc1
Show InChI InChI=1S/C37H48N6O6S/c1-22(2)17-29(41-36(48)32(23(3)4)42-31(44)21-49-27-14-10-13-26(19-27)43(5)6)35(47)40-28(18-25-15-16-38-34(25)46)33(45)37-39-20-30(50-37)24-11-8-7-9-12-24/h7-14,19-20,22-23,25,28-29,32H,15-18,21H2,1-6H3,(H,38,46)(H,40,47)(H,41,48)(H,42,44)/t25-,28-,29-,32-/m1/s1
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170n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512523
PNG
(acs.jmedchem.1c00409_ST.116)
Show SMILES O=n1ccccc1S[Zn]Sc1ccccn1=O
Show InChI InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2
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170n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50366944
PNG
(Azovan Blue | Azovan sodium | EVANS BLUE)
Show SMILES Cc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1
Show InChI InChI=1S/C34H28N6O14S4/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4
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210n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512732
PNG
(acs.jmedchem.1c00409_ST.326)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1cccnc1)C(C)C)C(=O)N[C@H](C[C@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C32H40N6O6S/c1-18(2)14-24(36-31(43)27(19(3)4)38-26(39)17-44-21-8-7-12-33-16-21)30(42)35-23(15-20-11-13-34-29(20)41)28(40)32-37-22-9-5-6-10-25(22)45-32/h5-10,12,16,18-20,23-24,27H,11,13-15,17H2,1-4H3,(H,34,41)(H,35,42)(H,36,43)(H,38,39)/t20-,23-,24-,27-/m1/s1
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220n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512672
PNG
(acs.jmedchem.1c00409_ST.266)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CNc1ccccc1)C(C)C)C(=O)N[C@H](C[C@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H42N6O5S/c1-19(2)16-25(37-32(44)28(20(3)4)39-27(40)18-35-22-10-6-5-7-11-22)31(43)36-24(17-21-14-15-34-30(21)42)29(41)33-38-23-12-8-9-13-26(23)45-33/h5-13,19-21,24-25,28,35H,14-18H2,1-4H3,(H,34,42)(H,36,43)(H,37,44)(H,39,40)/t21-,24-,25-,28-/m1/s1
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220n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512541
PNG
(acs.jmedchem.1c00409_ST.134)
Show SMILES COc1ccc(OCC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C[C@H]2CCNC2=O)C(=O)c2ncc(s2)-c2ccccc2)cc1
Show InChI InChI=1S/C36H45N5O7S/c1-21(2)17-28(40-35(46)31(22(3)4)41-30(42)20-48-26-13-11-25(47-5)12-14-26)34(45)39-27(18-24-15-16-37-33(24)44)32(43)36-38-19-29(49-36)23-9-7-6-8-10-23/h6-14,19,21-22,24,27-28,31H,15-18,20H2,1-5H3,(H,37,44)(H,39,45)(H,40,46)(H,41,42)/t24-,27-,28-,31-/m1/s1
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270n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512543
PNG
(acs.jmedchem.1c00409_ST.136)
Show SMILES O=N(=O)O[Hg]c1ccccc1
Show InChI InChI=1S/C6H5.Hg.NO3/c1-2-4-6-5-3-1;;2-1(3)4/h1-5H;;/q;+1;-1
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300n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50085339
PNG
(((S)-1-Benzyl-3-chloro-2-oxo-propyl)-carbamic acid...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
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310n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512549
PNG
(acs.jmedchem.1c00409_ST.142)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1cccc(c1)N(C)C)C(C)C)C(=O)N[C@H](C[C@H]1CCNC1=O)C(=O)c1ncc(C)s1
Show InChI InChI=1S/C32H46N6O6S/c1-18(2)13-25(30(42)35-24(14-21-11-12-33-29(21)41)28(40)32-34-16-20(5)45-32)36-31(43)27(19(3)4)37-26(39)17-44-23-10-8-9-22(15-23)38(6)7/h8-10,15-16,18-19,21,24-25,27H,11-14,17H2,1-7H3,(H,33,41)(H,35,42)(H,36,43)(H,37,39)/t21-,24-,25-,27-/m1/s1
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330n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512546
PNG
(acs.jmedchem.1c00409_ST.139)
Show SMILES COc1ccccc1NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H35N5O5S/c1-17(2)14-22(32-25(35)16-31-19-8-4-6-10-23(19)39-3)28(38)33-21(15-18-12-13-30-27(18)37)26(36)29-34-20-9-5-7-11-24(20)40-29/h4-11,17-18,21-22,31H,12-16H2,1-3H3,(H,30,37)(H,32,35)(H,33,38)/t18-,21-,22-/m0/s1
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330n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512547
PNG
(acs.jmedchem.1c00409_ST.140)
Show SMILES COc1ccc2cc([nH]c2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C30H33N5O5S/c1-16(2)12-23(34-29(39)24-13-17-8-9-19(40-3)15-21(17)32-24)28(38)33-22(14-18-10-11-31-27(18)37)26(36)30-35-20-6-4-5-7-25(20)41-30/h4-9,13,15-16,18,22-23,32H,10-12,14H2,1-3H3,(H,31,37)(H,33,38)(H,34,39)/t18-,22-,23-/m0/s1
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330n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429252
PNG
(acs.jmedchem.1c00409_ST.146 | jm5b01461, Compound ...)
Show SMILES O[C@H]([C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)[C@H](O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H38N4O6/c43-35(33(19-27-21-39-31-17-9-7-15-29(27)31)41-37(45)47-23-25-11-3-1-4-12-25)36(44)34(20-28-22-40-32-18-10-8-16-30(28)32)42-38(46)48-24-26-13-5-2-6-14-26/h1-18,21-22,33-36,39-40,43-44H,19-20,23-24H2,(H,41,45)(H,42,46)/t33-,34-,35+,36+/m0/s1
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340n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512555
PNG
(acs.jmedchem.1c00409_ST.148)
Show SMILES ClCC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H20ClNO3/c23-14-21(25)20(24-22(26)27-15-16-6-2-1-3-7-16)13-17-10-11-18-8-4-5-9-19(18)12-17/h1-12,20H,13-15H2,(H,24,26)/t20-/m0/s1
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370n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM512556
PNG
(acs.jmedchem.1c00409_ST.149)
Show SMILES Fc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)CCl)cc1
Show InChI InChI=1S/C18H17ClFNO3/c19-11-17(22)16(10-13-6-8-15(20)9-7-13)21-18(23)24-12-14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,21,23)/t16-/m0/s1
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380n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429399
PNG
(acs.jmedchem.1c00409_ST.151 | med.21724, Compound ...)
Show SMILES COc1cccc(NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)c2nc3ccccc3s2)c1
Show InChI InChI=1S/C29H35N5O5S/c1-17(2)13-23(32-25(35)16-31-19-7-6-8-20(15-19)39-3)28(38)33-22(14-18-11-12-30-27(18)37)26(36)29-34-21-9-4-5-10-24(21)40-29/h4-10,15,17-18,22-23,31H,11-14,16H2,1-3H3,(H,30,37)(H,32,35)(H,33,38)/t18-,22-,23-/m0/s1
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390n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.


J Med Chem 64: 16922-16955 (2021)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 961 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%