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PubMed code 32747425

Compile data set for download or QSAR
Found 43 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


(MERS-CoV)
BDBM419129
PNG
(3CLpro inhibitor 6h)
Show SMILES CC(C)C[C@@H](NC(=O)OC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C20H33F2N3O8S/c1-11(2)9-14(25-19(29)33-13-3-6-20(21,22)7-4-13)17(27)24-15(18(28)34(30,31)32)10-12-5-8-23-16(12)26/h11-15,18,28H,3-10H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/p-1/t12?,14-,15-,18?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
3C-like proteinase


(MERS-CoV)
BDBM419131
PNG
(3CLpro inhibitor 6j | 3CLpro inhibitor 7j)
Show SMILES CC(C)C[C@@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C21H35F2N3O8S/c1-12(2)9-15(26-20(30)34-11-13-3-6-21(22,23)7-4-13)18(28)25-16(19(29)35(31,32)33)10-14-5-8-24-17(14)27/h12-16,19,29H,3-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/p-1/t14?,15-,16-,19?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
3C-like proteinase


(MERS-CoV)
BDBM419130
PNG
(3CLpro inhibitor 7h)
Show SMILES CC(C)C[C@@H](NC(=O)OC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C=O
Show InChI InChI=1S/C20H31F2N3O5/c1-12(2)9-16(25-19(29)30-15-3-6-20(21,22)7-4-15)18(28)24-14(11-26)10-13-5-8-23-17(13)27/h11-16H,3-10H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t13?,14-,16-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
3C-like proteinase


(MERS-CoV)
BDBM419131
PNG
(3CLpro inhibitor 6j | 3CLpro inhibitor 7j)
Show SMILES CC(C)C[C@@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C21H35F2N3O8S/c1-12(2)9-15(26-20(30)34-11-13-3-6-21(22,23)7-4-13)18(28)25-16(19(29)35(31,32)33)10-14-5-8-24-17(14)27/h12-16,19,29H,3-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/p-1/t14?,15-,16-,19?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
3C-like proteinase


(MERS-CoV)
BDBM419126
PNG
(3CLpro inhibitor 7c)
Show SMILES CCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C=O
Show InChI InChI=1S/C23H39N3O5/c1-4-5-16-6-8-19(9-7-16)31-23(30)26-20(12-15(2)3)22(29)25-18(14-27)13-17-10-11-24-21(17)28/h14-20H,4-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,30)/t16?,17?,18-,19?,20-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
3C-like proteinase


(MERS-CoV)
BDBM419128
PNG
(3CLpro inhibitor 7e)
Show SMILES CCCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C=O
Show InChI InChI=1S/C24H41N3O5/c1-4-5-6-17-7-9-20(10-8-17)32-24(31)27-21(13-16(2)3)23(30)26-19(15-28)14-18-11-12-25-22(18)29/h15-21H,4-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/t17?,18?,19-,20?,21-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
3C-like proteinase


(MERS-CoV)
BDBM419124
PNG
(3CLpro inhibitor 6c)
Show SMILES CCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C23H41N3O8S/c1-4-5-15-6-8-17(9-7-15)34-23(30)26-18(12-14(2)3)21(28)25-19(22(29)35(31,32)33)13-16-10-11-24-20(16)27/h14-19,22,29H,4-13H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/p-1/t15?,16?,17?,18-,19-,22?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
3C-like proteinase


(MERS-CoV)
BDBM419123
PNG
(3CLpro inhibitor 7a)
Show SMILES CC(C)C[C@@H](NC(=O)OC1CCCCC1)C(=O)N[C@H](CC1CCNC1=O)C=O
Show InChI InChI=1S/C20H33N3O5/c1-13(2)10-17(23-20(27)28-16-6-4-3-5-7-16)19(26)22-15(12-24)11-14-8-9-21-18(14)25/h12-17H,3-11H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)/t14?,15-,17-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
3C-like proteinase


(MERS-CoV)
BDBM419127
PNG
(3CLpro inhibitor 6e)
Show SMILES CCCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C24H43N3O8S/c1-4-5-6-16-7-9-18(10-8-16)35-24(31)27-19(13-15(2)3)22(29)26-20(23(30)36(32,33)34)14-17-11-12-25-21(17)28/h15-20,23,30H,4-14H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/p-1/t16?,17?,18?,19-,20-,23?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM419127
PNG
(3CLpro inhibitor 6e)
Show SMILES CCCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C24H43N3O8S/c1-4-5-6-16-7-9-18(10-8-16)35-24(31)27-19(13-15(2)3)22(29)26-20(23(30)36(32,33)34)14-17-11-12-25-21(17)28/h15-20,23,30H,4-14H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/p-1/t16?,17?,18?,19-,20-,23?/m1/s1
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM419128
PNG
(3CLpro inhibitor 7e)
Show SMILES CCCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C=O
Show InChI InChI=1S/C24H41N3O5/c1-4-5-6-17-7-9-20(10-8-17)32-24(31)27-21(13-16(2)3)23(30)26-19(15-28)14-18-11-12-25-22(18)29/h15-21H,4-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/t17?,18?,19-,20?,21-/m1/s1
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PC sid
UniChem
Article
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n/an/a 200n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM419126
PNG
(3CLpro inhibitor 7c)
Show SMILES CCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C=O
Show InChI InChI=1S/C23H39N3O5/c1-4-5-16-6-8-19(9-7-16)31-23(30)26-20(12-15(2)3)22(29)25-18(14-27)13-17-10-11-24-21(17)28/h14-20H,4-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,30)/t16?,17?,18-,19?,20-/m1/s1
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM419124
PNG
(3CLpro inhibitor 6c)
Show SMILES CCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C23H41N3O8S/c1-4-5-15-6-8-17(9-7-15)34-23(30)26-18(12-14(2)3)21(28)25-19(22(29)35(31,32)33)13-16-10-11-24-20(16)27/h14-19,22,29H,4-13H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/p-1/t15?,16?,17?,18-,19-,22?/m1/s1
PDB
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PC sid
UniChem
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n/an/a 280n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
3C-like proteinase


(MERS-CoV)
BDBM419121
PNG
(3CLpro inhibitor 6a)
Show SMILES CC(C)C[C@@H](NC(=O)OC1CCCCC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C20H35N3O8S/c1-12(2)10-15(23-20(27)31-14-6-4-3-5-7-14)18(25)22-16(19(26)32(28,29)30)11-13-8-9-21-17(13)24/h12-16,19,26H,3-11H2,1-2H3,(H,21,24)(H,22,25)(H,23,27)(H,28,29,30)/p-1/t13?,15-,16-,19?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM419130
PNG
(3CLpro inhibitor 7h)
Show SMILES CC(C)C[C@@H](NC(=O)OC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C=O
Show InChI InChI=1S/C20H31F2N3O5/c1-12(2)9-16(25-19(29)30-15-3-6-20(21,22)7-4-15)18(28)24-14(11-26)10-13-5-8-23-17(13)27/h11-16H,3-10H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t13?,14-,16-/m1/s1
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UniChem
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n/an/a 410n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
3C-like proteinase


(MERS-CoV)
BDBM419133
PNG
(BDBM429386 | GC376)
Show SMILES CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/p-1/t15?,16-,17-,20?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 410n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM419129
PNG
(3CLpro inhibitor 6h)
Show SMILES CC(C)C[C@@H](NC(=O)OC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C20H33F2N3O8S/c1-11(2)9-14(25-19(29)33-13-3-6-20(21,22)7-4-13)17(27)24-15(18(28)34(30,31)32)10-12-5-8-23-16(12)26/h11-15,18,28H,3-10H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/p-1/t12?,14-,15-,18?/m1/s1
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n/an/a 430n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM419131
PNG
(3CLpro inhibitor 6j | 3CLpro inhibitor 7j)
Show SMILES CC(C)C[C@@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C21H35F2N3O8S/c1-12(2)9-15(26-20(30)34-11-13-3-6-21(22,23)7-4-13)18(28)25-16(19(29)35(31,32)33)10-14-5-8-24-17(14)27/h12-16,19,29H,3-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/p-1/t14?,15-,16-,19?/m1/s1
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n/an/a 450n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM419131
PNG
(3CLpro inhibitor 6j | 3CLpro inhibitor 7j)
Show SMILES CC(C)C[C@@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C21H35F2N3O8S/c1-12(2)9-15(26-20(30)34-11-13-3-6-21(22,23)7-4-13)18(28)25-16(19(29)35(31,32)33)10-14-5-8-24-17(14)27/h12-16,19,29H,3-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/p-1/t14?,15-,16-,19?/m1/s1
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n/an/a 480n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM419133
PNG
(BDBM429386 | GC376)
Show SMILES CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/p-1/t15?,16-,17-,20?/m1/s1
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n/an/a 620n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM419123
PNG
(3CLpro inhibitor 7a)
Show SMILES CC(C)C[C@@H](NC(=O)OC1CCCCC1)C(=O)N[C@H](CC1CCNC1=O)C=O
Show InChI InChI=1S/C20H33N3O5/c1-13(2)10-17(23-20(27)28-16-6-4-3-5-7-16)19(26)22-15(12-24)11-14-8-9-21-18(14)25/h12-17H,3-11H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)/t14?,15-,17-/m1/s1
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n/an/a 650n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM419121
PNG
(3CLpro inhibitor 6a)
Show SMILES CC(C)C[C@@H](NC(=O)OC1CCCCC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C20H35N3O8S/c1-12(2)10-15(23-20(27)31-14-6-4-3-5-7-14)18(25)22-16(19(26)32(28,29)30)11-13-8-9-21-17(13)24/h12-16,19,26H,3-11H2,1-2H3,(H,21,24)(H,22,25)(H,23,27)(H,28,29,30)/p-1/t13?,15-,16-,19?/m1/s1
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Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM419127
PNG
(3CLpro inhibitor 6e)
Show SMILES CCCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C24H43N3O8S/c1-4-5-6-16-7-9-18(10-8-16)35-24(31)27-19(13-15(2)3)22(29)26-20(23(30)36(32,33)34)14-17-11-12-25-21(17)28/h15-20,23,30H,4-14H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/p-1/t16?,17?,18?,19-,20-,23?/m1/s1
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Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM419128
PNG
(3CLpro inhibitor 7e)
Show SMILES CCCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C=O
Show InChI InChI=1S/C24H41N3O5/c1-4-5-6-17-7-9-20(10-8-17)32-24(31)27-21(13-16(2)3)23(30)26-19(15-28)14-18-11-12-25-22(18)29/h15-21H,4-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/t17?,18?,19-,20?,21-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM419131
PNG
(3CLpro inhibitor 6j | 3CLpro inhibitor 7j)
Show SMILES CC(C)C[C@@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C21H35F2N3O8S/c1-12(2)9-15(26-20(30)34-11-13-3-6-21(22,23)7-4-13)18(28)25-16(19(29)35(31,32)33)10-14-5-8-24-17(14)27/h12-16,19,29H,3-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/p-1/t14?,15-,16-,19?/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM419131
PNG
(3CLpro inhibitor 6j | 3CLpro inhibitor 7j)
Show SMILES CC(C)C[C@@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C21H35F2N3O8S/c1-12(2)9-15(26-20(30)34-11-13-3-6-21(22,23)7-4-13)18(28)25-16(19(29)35(31,32)33)10-14-5-8-24-17(14)27/h12-16,19,29H,3-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/p-1/t14?,15-,16-,19?/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM419126
PNG
(3CLpro inhibitor 7c)
Show SMILES CCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C=O
Show InChI InChI=1S/C23H39N3O5/c1-4-5-16-6-8-19(9-7-16)31-23(30)26-20(12-15(2)3)22(29)25-18(14-27)13-17-10-11-24-21(17)28/h14-20H,4-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,30)/t16?,17?,18-,19?,20-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM419124
PNG
(3CLpro inhibitor 6c)
Show SMILES CCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C23H41N3O8S/c1-4-5-15-6-8-17(9-7-15)34-23(30)26-18(12-14(2)3)21(28)25-19(22(29)35(31,32)33)13-16-10-11-24-20(16)27/h14-19,22,29H,4-13H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/p-1/t15?,16?,17?,18-,19-,22?/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM419133
PNG
(BDBM429386 | GC376)
Show SMILES CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/p-1/t15?,16-,17-,20?/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM419130
PNG
(3CLpro inhibitor 7h)
Show SMILES CC(C)C[C@@H](NC(=O)OC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C=O
Show InChI InChI=1S/C20H31F2N3O5/c1-12(2)9-16(25-19(29)30-15-3-6-20(21,22)7-4-15)18(28)24-14(11-26)10-13-5-8-23-17(13)27/h11-16H,3-10H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t13?,14-,16-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM419129
PNG
(3CLpro inhibitor 6h)
Show SMILES CC(C)C[C@@H](NC(=O)OC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C20H33F2N3O8S/c1-11(2)9-14(25-19(29)33-13-3-6-20(21,22)7-4-13)17(27)24-15(18(28)34(30,31)32)10-12-5-8-23-16(12)26/h11-15,18,28H,3-10H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/p-1/t12?,14-,15-,18?/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM419123
PNG
(3CLpro inhibitor 7a)
Show SMILES CC(C)C[C@@H](NC(=O)OC1CCCCC1)C(=O)N[C@H](CC1CCNC1=O)C=O
Show InChI InChI=1S/C20H33N3O5/c1-13(2)10-17(23-20(27)28-16-6-4-3-5-7-16)19(26)22-15(12-24)11-14-8-9-21-18(14)25/h12-17H,3-11H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)/t14?,15-,17-/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM419121
PNG
(3CLpro inhibitor 6a)
Show SMILES CC(C)C[C@@H](NC(=O)OC1CCCCC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C20H35N3O8S/c1-12(2)10-15(23-20(27)31-14-6-4-3-5-7-14)18(25)22-16(19(26)32(28,29)30)11-13-8-9-21-17(13)24/h12-16,19,26H,3-11H2,1-2H3,(H,21,24)(H,22,25)(H,23,27)(H,28,29,30)/p-1/t13?,15-,16-,19?/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
3C-like proteinase


(MERS-CoV)
BDBM419128
PNG
(3CLpro inhibitor 7e)
Show SMILES CCCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C=O
Show InChI InChI=1S/C24H41N3O5/c1-4-5-6-17-7-9-20(10-8-17)32-24(31)27-21(13-16(2)3)23(30)26-19(15-28)14-18-11-12-25-22(18)29/h15-21H,4-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/t17?,18?,19-,20?,21-/m1/s1
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n/an/an/an/a 530n/an/an/an/a



Wichita State University



Assay Description
Some compounds in the 6a to 6k and 7a to 7k series were also investigated for their antiviral activity against the replication of MERS-CoV, FIPV, or ...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
3C-like proteinase


(MERS-CoV)
BDBM419123
PNG
(3CLpro inhibitor 7a)
Show SMILES CC(C)C[C@@H](NC(=O)OC1CCCCC1)C(=O)N[C@H](CC1CCNC1=O)C=O
Show InChI InChI=1S/C20H33N3O5/c1-13(2)10-17(23-20(27)28-16-6-4-3-5-7-16)19(26)22-15(12-24)11-14-8-9-21-18(14)25/h12-17H,3-11H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)/t14?,15-,17-/m1/s1
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n/an/an/an/a 80n/an/an/an/a



Wichita State University



Assay Description
Some compounds in the 6a to 6k and 7a to 7k series were also investigated for their antiviral activity against the replication of MERS-CoV, FIPV, or ...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
3C-like proteinase


(MERS-CoV)
BDBM419133
PNG
(BDBM429386 | GC376)
Show SMILES CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/p-1/t15?,16-,17-,20?/m1/s1
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n/an/an/an/a 900n/an/an/an/a



Wichita State University



Assay Description
Some compounds in the 6a to 6k and 7a to 7k series were also investigated for their antiviral activity against the replication of MERS-CoV, FIPV, or ...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM419131
PNG
(3CLpro inhibitor 6j | 3CLpro inhibitor 7j)
Show SMILES CC(C)C[C@@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C21H35F2N3O8S/c1-12(2)9-15(26-20(30)34-11-13-3-6-21(22,23)7-4-13)18(28)25-16(19(29)35(31,32)33)10-14-5-8-24-17(14)27/h12-16,19,29H,3-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/p-1/t14?,15-,16-,19?/m1/s1
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n/an/an/an/a 800n/an/an/an/a



Wichita State University



Assay Description
Some compounds in the 6a to 6k and 7a to 7k series were also investigated for their antiviral activity against the replication of MERS-CoV, FIPV, or ...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM419127
PNG
(3CLpro inhibitor 6e)
Show SMILES CCCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C24H43N3O8S/c1-4-5-6-16-7-9-18(10-8-16)35-24(31)27-19(13-15(2)3)22(29)26-20(23(30)36(32,33)34)14-17-11-12-25-21(17)28/h15-20,23,30H,4-14H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/p-1/t16?,17?,18?,19-,20-,23?/m1/s1
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UniChem
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PubMed
n/an/an/an/a 150n/an/an/an/a



Wichita State University



Assay Description
Some compounds in the 6a to 6k and 7a to 7k series were also investigated for their antiviral activity against the replication of MERS-CoV, FIPV, or ...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM419129
PNG
(3CLpro inhibitor 6h)
Show SMILES CC(C)C[C@@H](NC(=O)OC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C20H33F2N3O8S/c1-11(2)9-14(25-19(29)33-13-3-6-20(21,22)7-4-13)17(27)24-15(18(28)34(30,31)32)10-12-5-8-23-16(12)26/h11-15,18,28H,3-10H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/p-1/t12?,14-,15-,18?/m1/s1
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n/an/an/an/a 900n/an/an/an/a



Wichita State University



Assay Description
Some compounds in the 6a to 6k and 7a to 7k series were also investigated for their antiviral activity against the replication of MERS-CoV, FIPV, or ...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
3C-like proteinase


(MERS-CoV)
BDBM419124
PNG
(3CLpro inhibitor 6c)
Show SMILES CCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C23H41N3O8S/c1-4-5-15-6-8-17(9-7-15)34-23(30)26-18(12-14(2)3)21(28)25-19(22(29)35(31,32)33)13-16-10-11-24-20(16)27/h14-19,22,29H,4-13H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/p-1/t15?,16?,17?,18-,19-,22?/m1/s1
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GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 50n/an/an/an/a



Wichita State University



Assay Description
Some compounds in the 6a to 6k and 7a to 7k series were also investigated for their antiviral activity against the replication of MERS-CoV, FIPV, or ...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
3C-like proteinase


(MERS-CoV)
BDBM419130
PNG
(3CLpro inhibitor 7h)
Show SMILES CC(C)C[C@@H](NC(=O)OC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C=O
Show InChI InChI=1S/C20H31F2N3O5/c1-12(2)9-16(25-19(29)30-15-3-6-20(21,22)7-4-15)18(28)24-14(11-26)10-13-5-8-23-17(13)27/h11-16H,3-10H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t13?,14-,16-/m1/s1
PDB
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GoogleScholar
PC cid
PC sid
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n/an/an/an/a 210n/an/an/an/a



Wichita State University



Assay Description
Some compounds in the 6a to 6k and 7a to 7k series were also investigated for their antiviral activity against the replication of MERS-CoV, FIPV, or ...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
3C-like proteinase


(MERS-CoV)
BDBM419131
PNG
(3CLpro inhibitor 6j | 3CLpro inhibitor 7j)
Show SMILES CC(C)C[C@@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C21H35F2N3O8S/c1-12(2)9-15(26-20(30)34-11-13-3-6-21(22,23)7-4-13)18(28)25-16(19(29)35(31,32)33)10-14-5-8-24-17(14)27/h12-16,19,29H,3-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/p-1/t14?,15-,16-,19?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 40n/an/an/an/a



Wichita State University



Assay Description
Some compounds in the 6a to 6k and 7a to 7k series were also investigated for their antiviral activity against the replication of MERS-CoV, FIPV, or ...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM419124
PNG
(3CLpro inhibitor 6c)
Show SMILES CCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C23H41N3O8S/c1-4-5-15-6-8-17(9-7-15)34-23(30)26-18(12-14(2)3)21(28)25-19(22(29)35(31,32)33)13-16-10-11-24-20(16)27/h14-19,22,29H,4-13H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/p-1/t15?,16?,17?,18-,19-,22?/m1/s1
PDB
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PC cid
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UniChem
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PubMed
n/an/an/an/a 250n/an/an/an/a



Wichita State University



Assay Description
Some compounds in the 6a to 6k and 7a to 7k series were also investigated for their antiviral activity against the replication of MERS-CoV, FIPV, or ...


Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%