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PubMed code 26878082

Compile data set for download or QSAR
Found 196 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...)
BDBM429243
PNG
(jm5b01461, Compound 60)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1cccc(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(38-33(45)29(21(3)4)40-35(46)47-19-22-10-9-11-24(17-22)41(5)6)32(44)37-26(18-23-14-15-36-31(23)43)30(42)34-39-25-12-7-8-13-28(25)48-34/h7-13,17,20-21,23,26-27,29H,14-16,18-19H2,1-6H3,(H,36,43)(H,37,44)(H,38,45)(H,40,46)/t23-,26-,27-,29-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429242
PNG
(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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6n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429296
PNG
(jm5b01461, Compound 116)
Show SMILES O=C(On1nnc2ccccc12)C(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C16H10N4O3/c21-15(11-5-6-12-10(9-11)7-8-17-12)16(22)23-20-14-4-2-1-3-13(14)18-19-20/h1-9,17H
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7.5n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429294
PNG
(jm5b01461, Compound 114)
Show SMILES CCN(CC)c1ccc(cc1)C(=O)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C18H18N4O3/c1-3-21(4-2)14-11-9-13(10-12-14)17(23)18(24)25-22-16-8-6-5-7-15(16)19-20-22/h5-12H,3-4H2,1-2H3
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11n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429293
PNG
(jm5b01461, Compound 113)
Show SMILES CNc1ccc(cc1)C(=O)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C15H12N4O3/c1-16-11-8-6-10(7-9-11)14(20)15(21)22-19-13-5-3-2-4-12(13)17-18-19/h2-9,16H,1H3
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12n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429297
PNG
(jm5b01461, Compound 117)
Show SMILES O=C(On1nnc2ccccc12)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C16H10N4O3/c21-15(13-9-10-5-1-2-6-11(10)17-13)16(22)23-20-14-8-4-3-7-12(14)18-19-20/h1-9,17H
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12n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429292
PNG
(jm5b01461, Compound 112)
Show SMILES CN(C)c1ccc(cc1)C(=O)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C16H14N4O3/c1-19(2)12-9-7-11(8-10-12)15(21)16(22)23-20-14-6-4-3-5-13(14)17-18-20/h3-10H,1-2H3
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17n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
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 | med.21724, Compound 88)
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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Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429295
PNG
(jm5b01461, Compound 115)
Show SMILES O=C(On1nnc2ccccc12)C(=O)c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C15H9N5O3/c21-14(9-5-6-10-12(7-9)17-8-16-10)15(22)23-20-13-4-2-1-3-11(13)18-19-20/h1-8H,(H,16,17)
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23n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429360
PNG
(jm5b01461, Compound 177)
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



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM428977
PNG
(jm5b01461, Compound 18)
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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50n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429100
PNG
(MPI8 | jm5b01461, Compound 45)
Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24-,25-,26-,27-/m0/s1
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53n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429357
PNG
(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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60n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM429100
PNG
(MPI8 | jm5b01461, Compound 45)
Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24-,25-,26-,27-/m0/s1
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68n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429253
PNG
(jm5b01461, Compound 71)
Show SMILES CC(C)[C@H](NC(=O)[C@H](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@@H](NC(=O)[C@H](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



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM429100
PNG
(MPI8 | jm5b01461, Compound 45)
Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24-,25-,26-,27-/m0/s1
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140n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429354
PNG
(jm5b01461, Compound 171)
Show SMILES [O-][n+]1ccccc1S[Zn]Sc1cccc[n+]1[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



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429353
PNG
(jm5b01461, Compound 170)
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



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429252
PNG
(jm5b01461, Compound 70)
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



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11261
PNG
(dipeptidomimetic unsaturated ester 18c | ethyl (2E...)
Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)N(C)C
Show InChI InChI=1S/C33H37N3O4/c1-4-40-32(38)22-18-28(23-26-11-7-5-8-12-26)34-33(39)30(24-27-13-9-6-10-14-27)35-31(37)21-17-25-15-19-29(20-16-25)36(2)3/h5-22,28,30H,4,23-24H2,1-3H3,(H,34,39)(H,35,37)/b21-17+,22-18+/t28-,30+/m1/s1
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520n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM428975
PNG
(jm5b01461, Compound 17)
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)C
Show InChI InChI=1S/C30H44N4O7/c1-6-40-25(35)13-12-23(17-22-14-15-31-27(22)36)32-28(37)24(16-19(2)3)33-29(38)26(20(4)5)34-30(39)41-18-21-10-8-7-9-11-21/h7-13,19-20,22-24,26H,6,14-18H2,1-5H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/b13-12+/t22-,23+,24+,26-/m0/s1
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660n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429351
PNG
(jm5b01461, Compound 168)
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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700n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429355
PNG
(jm5b01461, Compound 172)
Show SMILES CCN(C(=S)S[Zn]SC(=S)N(CC)c1ccccc1)c1ccccc1
Show InChI InChI=1S/2C9H11NS2.Zn/c2*1-2-10(9(11)12)8-6-4-3-5-7-8;/h2*3-7H,2H2,1H3,(H,11,12);/q;;+2/p-2
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1.00E+3n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429356
PNG
(jm5b01461, Compound 173)
Show SMILES Cc1ccc2S[Zn]Nc2c1
Show InChI InChI=1S/C7H8NS.Zn/c1-5-2-3-7(9)6(8)4-5;/h2-4,8-9H,1H3;/q-1;+2/p-1
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1.40E+3n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50480493
PNG
(CHEMBL539209 | jm5b01461, Compound 58)
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)c1nccs1
Show InChI InChI=1S/C29H39N5O6S/c1-17(2)14-22(33-27(38)23(18(3)4)34-29(39)40-16-19-8-6-5-7-9-19)26(37)32-21(15-20-10-11-30-25(20)36)24(35)28-31-12-13-41-28/h5-9,12-13,17-18,20-23H,10-11,14-16H2,1-4H3,(H,30,36)(H,32,37)(H,33,38)(H,34,39)/t20-,21-,22-,23-/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429086
PNG
(jm5b01461, Compound 44)
Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C27H26N2O3/c30-20-24(18-22-12-6-2-7-13-22)28-27(32)25(19-23-14-8-3-9-15-23)29-26(31)17-16-21-10-4-1-5-11-21/h1-17,20,24-25H,18-19H2,(H,28,32)(H,29,31)/b17-16+/t24-,25-/m0/s1
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2.24E+3n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM428969
PNG
(jm5b01461, Compound 16)
Show SMILES CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C33H42N4O7/c1-4-43-28(38)16-15-26(20-25-17-18-34-30(25)39)35-31(40)27(19-23-11-7-5-8-12-23)36-32(41)29(22(2)3)37-33(42)44-21-24-13-9-6-10-14-24/h5-16,22,25-27,29H,4,17-21H2,1-3H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b16-15+/t25-,26+,27+,29-/m0/s1
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2.26E+3n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM60990
PNG
(MLS001336050 | SMR000875330 | Thimerosal | cid_166...)
Show SMILES CC[Hg]Sc1ccccc1C([O-])=O
Show InChI InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-2
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2.40E+3n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM428894
PNG
(jm5b01461, Compound 7)
Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H31N3O6/c1-2-40-30(36)20-16-26(21-24-9-5-3-6-10-24)32-31(37)28(22-25-11-7-4-8-12-25)33-29(35)19-15-23-13-17-27(18-14-23)34(38)39/h3-20,26,28H,2,21-22H2,1H3,(H,32,37)(H,33,35)/b19-15+,20-16+/t26-,28+/m1/s1
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2.48E+3n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429358
PNG
(jm5b01461, Compound 175)
Show SMILES OB(O)c1cccc(COC(=O)c2cc(cc(c2)[N+]([O-])=O)B(O)O)c1
Show InChI InChI=1S/C14H13B2NO8/c18-14(25-8-9-2-1-3-11(4-9)15(19)20)10-5-12(16(21)22)7-13(6-10)17(23)24/h1-7,19-22H,8H2
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4.50E+3n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429359
PNG
(jm5b01461, Compound 176)
Show SMILES OB(O)c1cc(cc(c1)[N+]([O-])=O)C(=O)OCc1ccccc1COC(=O)c1cc(cc(c1)[N+]([O-])=O)B(O)O
Show InChI InChI=1S/C22H18B2N2O12/c27-21(15-5-17(23(29)30)9-19(7-15)25(33)34)37-11-13-3-1-2-4-14(13)12-38-22(28)16-6-18(24(31)32)10-20(8-16)26(35)36/h1-10,29-32H,11-12H2
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6.00E+3n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11259
PNG
(dipeptidomimetic unsaturated ester 18a | ethyl (2E...)
Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C37H36N2O4/c1-2-43-36(41)25-23-33(26-29-12-6-3-7-13-29)38-37(42)34(27-30-14-8-4-9-15-30)39-35(40)24-20-28-18-21-32(22-19-28)31-16-10-5-11-17-31/h3-25,33-34H,2,26-27H2,1H3,(H,38,42)(H,39,40)/b24-20+,25-23+/t33-,34+/m1/s1
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6.44E+3n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11262
PNG
(dipeptidomimetic unsaturated ester 18d | ethyl (2E...)
Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(OC)cc1OC
Show InChI InChI=1S/C33H36N2O6/c1-4-41-32(37)20-17-27(21-24-11-7-5-8-12-24)34-33(38)29(22-25-13-9-6-10-14-25)35-31(36)19-16-26-15-18-28(39-2)23-30(26)40-3/h5-20,23,27,29H,4,21-22H2,1-3H3,(H,34,38)(H,35,36)/b19-16+,20-17+/t27-,29+/m1/s1
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9.04E+3n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM78957
PNG
(MLS001163269 | N-[(Z)-1-[3-(dimethylamino)propylca...)
Show SMILES CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C26H28N4O5/c1-18-8-10-19(11-9-18)25(31)28-23(26(32)27-14-5-15-29(2)3)17-22-12-13-24(35-22)20-6-4-7-21(16-20)30(33)34/h4,6-13,16-17H,5,14-15H2,1-3H3,(H,27,32)(H,28,31)/b23-17-
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PubMed
9.11E+3n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM53105
PNG
(CHEMBL1315054 | MLS001164598 | N-[(Z)-1-[3-(dimeth...)
Show SMILES CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C26H28N4O5/c1-18-9-11-19(12-10-18)25(31)28-22(26(32)27-15-6-16-29(2)3)17-20-13-14-24(35-20)21-7-4-5-8-23(21)30(33)34/h4-5,7-14,17H,6,15-16H2,1-3H3,(H,27,32)(H,28,31)/b22-17-
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9.93E+3n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM428946
PNG
(jm5b01461, Compound 2)
Show SMILES CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC(=O)C(NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1
Show InChI InChI=1S/C31H39FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-11,14,18,21-22,24,28H,5,12-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50480488
PNG
(CHEMBL555061 | med.21724, Compound 70)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CCC(=O)N1CCOCC1)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H41F3N4O7/c1-18(2)16-22(34-27(40)24(19(3)4)35-28(41)43-17-20-8-6-5-7-9-20)26(39)33-21(25(38)29(30,31)32)10-11-23(37)36-12-14-42-15-13-36/h5-9,18-19,21-22,24H,10-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22-,24-/m0/s1
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2.10E+4n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429256
PNG
(jm5b01461, Compound 74)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NC(=O)OC(C)(C)C(N)=O)c(Cl)c1Cl
Show InChI InChI=1S/C18H20Cl2N2O6/c1-5-9(2)15(24)10-6-7-11(14(20)13(10)19)27-8-12(23)22-17(26)28-18(3,4)16(21)25/h6-7H,2,5,8H2,1,3-4H3,(H2,21,25)(H,22,23,26)
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3.53E+4n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429255
PNG
(jm5b01461, Compound 73)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NC(=O)OC(C)(C)C)c(Cl)c1Cl
Show InChI InChI=1S/C18H21Cl2NO5/c1-6-10(2)16(23)11-7-8-12(15(20)14(11)19)25-9-13(22)21-17(24)26-18(3,4)5/h7-8H,2,6,9H2,1,3-5H3,(H,21,22,24)
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PubMed
4.58E+4n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429239
PNG
(jm5b01461, Compound 56)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H35F3N4O6/c1-14(2)12-18(22(35)30-17(10-11-19(29)33)21(34)25(26,27)28)31-23(36)20(15(3)4)32-24(37)38-13-16-8-6-5-7-9-16/h5-9,14-15,17-18,20H,10-13H2,1-4H3,(H2,29,33)(H,30,35)(H,31,36)(H,32,37)/t17-,18-,20-/m0/s1
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PubMed
1.16E+5n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50480487
PNG
(CHEMBL551569 | med.21724, Compound 69)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H34F3N3O7/c1-14(2)12-18(22(35)29-17(10-11-19(32)33)21(34)25(26,27)28)30-23(36)20(15(3)4)31-24(37)38-13-16-8-6-5-7-9-16/h5-9,14-15,17-18,20H,10-13H2,1-4H3,(H,29,35)(H,30,36)(H,31,37)(H,32,33)/t17-,18-,20-/m0/s1
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PubMed
1.16E+5n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50186231
PNG
((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
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PubMed
3.75E+5n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429298
PNG
(jm5b01461, Compound 118)
Show SMILES Fc1ccc2cc([nH]c2c1)C(=O)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C16H9FN4O3/c17-10-6-5-9-7-13(18-12(9)8-10)15(22)16(23)24-21-14-4-2-1-3-11(14)19-20-21/h1-8,18H
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n/an/a 14n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429304
PNG
(jm5b01461, Compound 124)
Show SMILES Clc1cncc(OC(=O)c2cccc3[nH]ccc23)c1
Show InChI InChI=1S/C14H9ClN2O2/c15-9-6-10(8-16-7-9)19-14(18)12-2-1-3-13-11(12)4-5-17-13/h1-8,17H
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n/an/a 30n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50208940
PNG
(5-bromo-pyridin-3-yl furan-2-carboxylate | 5-bromo...)
Show SMILES Brc1cncc(OC(=O)c2ccco2)c1
Show InChI InChI=1S/C10H6BrNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H
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n/an/a 50n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429350
PNG
(jm5b01461, Compound 167)
Show SMILES Cn1ccc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C26H23N5O/c1-29-16-15-20(17-29)18-30(23-13-11-22(12-14-23)21-7-3-2-4-8-21)26(32)19-31-25-10-6-5-9-24(25)27-28-31/h2-17H,18-19H2,1H3
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n/an/a 51n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
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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n/an/a 60n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM32805
PNG
((5-chloranylpyridin-3-yl) furan-2-carboxylate | (5...)
Show SMILES Clc1cncc(OC(=O)c2ccco2)c1
Show InChI InChI=1S/C10H6ClNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H
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n/an/a 60n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50208942
PNG
(5-chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-car...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Oc1cncc(Cl)c1
Show InChI InChI=1S/C16H9Cl2NO3/c17-11-3-1-10(2-4-11)14-5-6-15(22-14)16(20)21-13-7-12(18)8-19-9-13/h1-9H
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n/an/a 63n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50208939
PNG
(5-chloro-pyridin-3-yl-1H-indole-2-carboxylate | 5-...)
Show SMILES Clc1cncc(OC(=O)c2cc3ccccc3[nH]2)c1
Show InChI InChI=1S/C14H9ClN2O2/c15-10-6-11(8-16-7-10)19-14(18)13-5-9-3-1-2-4-12(9)17-13/h1-8,17H
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n/an/a 65n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50484478
PNG
(CHEMBL1929019 | jm5b01461, Compound 47)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]cn1)C=O
Show InChI InChI=1S/C28H45N7O7/c1-16(2)24(35-25(39)17(3)31-27(41)23(14-37)32-18(4)38)28(42)34-22(10-19-8-6-5-7-9-19)26(40)33-21(13-36)11-20-12-29-15-30-20/h12-13,15-17,19,21-24,37H,5-11,14H2,1-4H3,(H,29,30)(H,31,41)(H,32,38)(H,33,40)(H,34,42)(H,35,39)/t17-,21-,22-,23-,24-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429308
PNG
(jm5b01461, Compound 128)
Show SMILES Clc1ccnc(OC(=O)c2cccc3cc[nH]c23)c1
Show InChI InChI=1S/C14H9ClN2O2/c15-10-5-7-16-12(8-10)19-14(18)11-3-1-2-9-4-6-17-13(9)11/h1-8,17H
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n/an/a 80n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50484482
PNG
(CHEMBL1929017 | med.21724, Compound 45)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C=O
Show InChI InChI=1S/C25H41N7O7/c1-13(2)7-19(23(37)30-18(10-33)8-17-9-26-12-27-17)31-25(39)21(14(3)4)32-22(36)15(5)28-24(38)20(11-34)29-16(6)35/h9-10,12-15,18-21,34H,7-8,11H2,1-6H3,(H,26,27)(H,28,38)(H,29,35)(H,30,37)(H,31,39)(H,32,36)/t15-,18-,19-,20-,21-/m0/s1
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n/an/a 98n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429296
PNG
(jm5b01461, Compound 116)
Show SMILES O=C(On1nnc2ccccc12)C(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C16H10N4O3/c21-15(11-5-6-12-10(9-11)7-8-17-12)16(22)23-20-14-4-2-1-3-13(14)18-19-20/h1-9,17H
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n/an/a 200n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429307
PNG
(jm5b01461, Compound 127)
Show SMILES Clc1ccnc(OC(=O)c2ccc3cc[nH]c3c2)c1
Show InChI InChI=1S/C14H9ClN2O2/c15-11-4-6-17-13(8-11)19-14(18)10-2-1-9-3-5-16-12(9)7-10/h1-8,16H
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n/an/a 230n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11292
PNG
(1,5-dichloro-2-{[2,6-dinitro-4-(trifluoromethyl)be...)
Show SMILES Cc1cc(c(Cl)cc1Cl)S(=O)(=O)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C14H7Cl2F3N2O6S/c1-6-2-12(9(16)5-8(6)15)28(26,27)13-10(20(22)23)3-7(14(17,18)19)4-11(13)21(24)25/h2-5H,1H3
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n/an/a 300n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429306
PNG
(jm5b01461, Compound 126)
Show SMILES Clc1cncc(OC(=O)c2ccc3[nH]ccc3c2)c1
Show InChI InChI=1S/C14H9ClN2O2/c15-11-6-12(8-16-7-11)19-14(18)10-1-2-13-9(5-10)3-4-17-13/h1-8,17H
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n/an/a 310n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429299
PNG
(jm5b01461, Compound 119)
Show SMILES Clc1cncc(OC(=O)c2cccs2)c1
Show InChI InChI=1S/C10H6ClNO2S/c11-7-4-8(6-12-5-7)14-10(13)9-2-1-3-15-9/h1-6H
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n/an/a 500n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429299
PNG
(jm5b01461, Compound 119)
Show SMILES Clc1cncc(OC(=O)c2cccs2)c1
Show InChI InChI=1S/C10H6ClNO2S/c11-7-4-8(6-12-5-7)14-10(13)9-2-1-3-15-9/h1-6H
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n/an/a 500n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429100
PNG
(MPI8 | jm5b01461, Compound 45)
Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24-,25-,26-,27-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM428990
PNG
(jm5b01461, Compound 25)
Show SMILES CC(C)C[C@H](NC(=O)C(NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)Cn1[nH]c(=O)c2c(cccc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C40H52N8O11/c1-21(2)17-29(44-39(55)34(23(5)59-20-25-11-8-7-9-12-25)45-38(54)33(22(3)4)42-24(6)49)36(52)43-28(18-26-15-16-41-35(26)51)31(50)19-47-40(56)27-13-10-14-30(48(57)58)32(27)37(53)46-47/h7-14,21-23,26,28-29,33-34H,15-20H2,1-6H3,(H,41,51)(H,42,49)(H,43,52)(H,44,55)(H,45,54)(H,46,53)/t23?,26-,28-,29-,33-,34?/m0/s1
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n/an/a 600n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM428977
PNG
(jm5b01461, Compound 18)
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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n/an/a 880n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429262
PNG
(jm5b01461, Compound 80)
Show SMILES Ic1ccc2C(Cc3cc4ccccc4s3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C18H11IO2S/c19-11-5-6-13-14(8-11)17(20)18(21)15(13)9-12-7-10-3-1-2-4-16(10)22-12/h1-8,15H,9H2
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n/an/a 950n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429260
PNG
(jm5b01461, Compound 78)
Show SMILES Brc1cccc2C(=O)C(=O)C(Cc3cc4ccccc4s3)c12
Show InChI InChI=1S/C18H11BrO2S/c19-14-6-3-5-12-16(14)13(18(21)17(12)20)9-11-8-10-4-1-2-7-15(10)22-11/h1-8,13H,9H2
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n/an/a 980n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11261
PNG
(dipeptidomimetic unsaturated ester 18c | ethyl (2E...)
Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)N(C)C
Show InChI InChI=1S/C33H37N3O4/c1-4-40-32(38)22-18-28(23-26-11-7-5-8-12-26)34-33(39)30(24-27-13-9-6-10-14-27)35-31(37)21-17-25-15-19-29(20-16-25)36(2)3/h5-22,28,30H,4,23-24H2,1-3H3,(H,34,39)(H,35,37)/b21-17+,22-18+/t28-,30+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429305
PNG
(jm5b01461, Compound 125)
Show SMILES CC(=O)n1ccc2c(cccc12)C(=O)Oc1cncc(Cl)c1
Show InChI InChI=1S/C16H11ClN2O3/c1-10(20)19-6-5-13-14(3-2-4-15(13)19)16(21)22-12-7-11(17)8-18-9-12/h2-9H,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429263
PNG
(jm5b01461, Compound 81)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc2C(Cc3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H23NO4S/c1-15-9-11-23(12-10-15)28(26,27)17-7-8-18-19(13-16-5-3-2-4-6-16)21(24)22(25)20(18)14-17/h2-8,14-15,19H,9-13H2,1H3
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n/an/a 1.04E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM429329
PNG
(jm5b01461, Compound 146-(R))
Show SMILES CC(C)(C)NC(=O)[C@H](N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1cccnc1
Show InChI InChI=1S/C26H31N3O3/c1-25(2,3)19-11-13-20(14-12-19)29(24(31)21-10-8-16-32-21)22(18-9-7-15-27-17-18)23(30)28-26(4,5)6/h7-17,22H,1-6H3,(H,28,30)/t22-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429259
PNG
(jm5b01461, Compound 77)
Show SMILES [O-][N+](=O)c1cccc2C(=O)C(=O)C(Cc3cc4ccccc4s3)c12
Show InChI InChI=1S/C18H11NO4S/c20-17-12-5-3-6-14(19(22)23)16(12)13(18(17)21)9-11-8-10-4-1-2-7-15(10)24-11/h1-8,13H,9H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM47919
PNG
(Furan-2-carboxylic acid (4-sec-butyl-phenyl)-(cycl...)
Show SMILES CCC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1
Show InChI InChI=1S/C27H31N3O3/c1-3-19(2)20-12-14-23(15-13-20)30(27(32)24-11-7-17-33-24)25(21-8-6-16-28-18-21)26(31)29-22-9-4-5-10-22/h6-8,11-19,22,25H,3-5,9-10H2,1-2H3,(H,29,31)
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429362
PNG
(jm5b01461, Compound 179)
Show SMILES CC1=C(C(C2C(CCCC2=O)N1)c1ccccc1[N+]([O-])=O)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C25H26N2O5/c1-16-22(25(29)32-15-14-17-8-3-2-4-9-17)23(18-10-5-6-12-20(18)27(30)31)24-19(26-16)11-7-13-21(24)28/h2-6,8-10,12,19,23-24,26H,7,11,13-15H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429314
PNG
(jm5b01461, Compound 134)
Show SMILES Clc1ccc(cc1)-c1c(c(nn1-c1ccc(Cl)c(Cl)c1)-c1ccc(Br)cc1)-n1ccnc1
Show InChI InChI=1S/C24H14BrCl3N4/c25-17-5-1-15(2-6-17)22-24(31-12-11-29-14-31)23(16-3-7-18(26)8-4-16)32(30-22)19-9-10-20(27)21(28)13-19/h1-14H
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429276
PNG
(jm5b01461, Compound 94)
Show SMILES CC1=CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(C)=C(O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)C2C1
Show InChI InChI=1S/C28H36O2/c1-17-9-10-25(3)11-13-27(5)22-8-7-19-18(2)24(30)21(29)16-20(19)26(22,4)12-14-28(27,6)23(25)15-17/h7-9,16,23,30H,10-15H2,1-6H3/t23?,25-,26+,27-,28+/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM428988
PNG
(jm5b01461, Compound 23)
Show SMILES CC(C)C[C@H](NC(=O)C(NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)O)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O
Show InChI InChI=1S/C33H47N7O9/c1-16(2)13-24(37-32(48)27(18(5)41)38-31(47)26(17(3)4)35-19(6)42)30(46)36-23(14-20-11-12-34-28(20)44)25(43)15-40-33(49)22-10-8-7-9-21(22)29(45)39-40/h7-10,16-18,20,23-24,26-27,41H,11-15H2,1-6H3,(H,34,44)(H,35,42)(H,36,46)(H,37,48)(H,38,47)(H,39,45)/t18?,20-,23-,24-,26-,27?/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM428989
PNG
(jm5b01461, Compound 24)
Show SMILES CC(C)C[C@H](NC(=O)C(NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O
Show InChI InChI=1S/C40H53N7O9/c1-22(2)18-31(44-39(54)34(24(5)56-21-26-12-8-7-9-13-26)45-38(53)33(23(3)4)42-25(6)48)37(52)43-30(19-27-16-17-41-35(27)50)32(49)20-47-40(55)29-15-11-10-14-28(29)36(51)46-47/h7-15,22-24,27,30-31,33-34H,16-21H2,1-6H3,(H,41,50)(H,42,48)(H,43,52)(H,44,54)(H,45,53)(H,46,51)/t24?,27-,30-,31-,33-,34?/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429346
PNG
(jm5b01461, Compound 163)
Show SMILES CCC(=O)Nc1ccc(cc1)N(Cc1ccn(C)c1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C23H24N6O2/c1-3-22(30)24-18-8-10-19(11-9-18)28(15-17-12-13-27(2)14-17)23(31)16-29-21-7-5-4-6-20(21)25-26-29/h4-14H,3,15-16H2,1-2H3,(H,24,30)
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11264
PNG
(N-(3,5-dichlorophenyl)-2-{[4-(2-phenyl-1,3-thiazol...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CSc2nccc(n2)-c2csc(n2)-c2ccccc2)c1
Show InChI InChI=1S/C21H14Cl2N4OS2/c22-14-8-15(23)10-16(9-14)25-19(28)12-30-21-24-7-6-17(27-21)18-11-29-20(26-18)13-4-2-1-3-5-13/h1-11H,12H2,(H,25,28)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11304
PNG
(Compound 2 analog 15 | MurB inhibitor (compound 16...)
Show SMILES FC(F)(F)c1nnc(SC(=O)c2ccc(o2)C#Cc2ccccc2)[nH]1
Show InChI InChI=1S/C16H8F3N3O2S/c17-16(18,19)14-20-15(22-21-14)25-13(23)12-9-8-11(24-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,20,21,22)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM428994
PNG
(jm5b01461, Compound 26)
Show SMILES CC(C)C[C@H](NC(=O)C(NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)O)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)Cn1[nH]c(=O)c2c(cccc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C33H46N8O11/c1-15(2)12-22(37-32(49)27(17(5)42)38-31(48)26(16(3)4)35-18(6)43)29(46)36-21(13-19-10-11-34-28(19)45)24(44)14-40-33(50)20-8-7-9-23(41(51)52)25(20)30(47)39-40/h7-9,15-17,19,21-22,26-27,42H,10-14H2,1-6H3,(H,34,45)(H,35,43)(H,36,46)(H,37,49)(H,38,48)(H,39,47)/t17?,19-,21-,22-,26-,27?/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429347
PNG
(jm5b01461, Compound 164)
Show SMILES CC(C)C(=O)Nc1ccc(cc1)N(Cc1ccn(C)c1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C24H26N6O2/c1-17(2)24(32)25-19-8-10-20(11-9-19)29(15-18-12-13-28(3)14-18)23(31)16-30-22-7-5-4-6-21(22)26-27-30/h4-14,17H,15-16H2,1-3H3,(H,25,32)
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429138
PNG
(jm5b01461, Compound 49)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)CF
Show InChI InChI=1S/C22H32FN3O5/c1-15(2)12-18(25-22(30)31-14-16-8-6-5-7-9-16)21(29)24-17(19(27)13-23)10-11-20(28)26(3)4/h5-9,15,17-18H,10-14H2,1-4H3,(H,24,29)(H,25,30)/t17-,18-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429345
PNG
(jm5b01461, Compound 162)
Show SMILES Cn1ccc(c1)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(=O)C2CCC2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C30H35N7O3/c1-30(2,3)32-29(40)27(21-16-17-35(4)18-21)37(26(38)19-36-25-11-6-5-10-24(25)33-34-36)23-14-12-22(13-15-23)31-28(39)20-8-7-9-20/h5-6,10-18,20,27H,7-9,19H2,1-4H3,(H,31,39)(H,32,40)
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429348
PNG
(jm5b01461, Compound 165)
Show SMILES Cn1ccc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(NC(=O)C3CC3)cc2)c1
Show InChI InChI=1S/C24H24N6O2/c1-28-13-12-17(14-28)15-29(20-10-8-19(9-11-20)25-24(32)18-6-7-18)23(31)16-30-22-5-3-2-4-21(22)26-27-30/h2-5,8-14,18H,6-7,15-16H2,1H3,(H,25,32)
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429343
PNG
(jm5b01461, Compound 160)
Show SMILES CC(C)C(=O)Nc1ccc(cc1)N(C(C(=O)NC(C)(C)C)c1ccn(C)c1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C29H35N7O3/c1-19(2)27(38)30-21-11-13-22(14-12-21)36(25(37)18-35-24-10-8-7-9-23(24)32-33-35)26(20-15-16-34(6)17-20)28(39)31-29(3,4)5/h7-17,19,26H,18H2,1-6H3,(H,30,38)(H,31,39)
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50443527
PNG
(CHEMBL1339340 | jm5b01461, Compound 180)
Show SMILES Cc1ccc2nc(sc2c1S(O)(=O)=O)-c1ccc(N)cc1
Show InChI InChI=1S/C14H12N2O3S2/c1-8-2-7-11-12(13(8)21(17,18)19)20-14(16-11)9-3-5-10(15)6-4-9/h2-7H,15H2,1H3,(H,17,18,19)
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429364
PNG
(jm5b01461, Compound 181)
Show SMILES Oc1cc(cc2oc(cc12)C([O-])=O)C(F)(F)F
Show InChI InChI=1S/C10H5F3O4/c11-10(12,13)4-1-6(14)5-3-8(9(15)16)17-7(5)2-4/h1-3,14H,(H,15,16)/p-1
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429261
PNG
(jm5b01461, Compound 79)
Show SMILES Fc1ccc2C(Cc3cc4ccccc4s3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C18H11FO2S/c19-11-5-6-13-14(8-11)17(20)18(21)15(13)9-12-7-10-3-1-2-4-16(10)22-12/h1-8,15H,9H2
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n/an/a 4.82E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429328
PNG
(jm5b01461, Compound 146)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1cccnc1
Show InChI InChI=1S/C26H31N3O3/c1-25(2,3)19-11-13-20(14-12-19)29(24(31)21-10-8-16-32-21)22(18-9-7-15-27-17-18)23(30)28-26(4,5)6/h7-17,22H,1-6H3,(H,28,30)
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n/an/a 4.89E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM428894
PNG
(jm5b01461, Compound 7)
Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H31N3O6/c1-2-40-30(36)20-16-26(21-24-9-5-3-6-10-24)32-31(37)28(22-25-11-7-4-8-12-25)33-29(35)19-15-23-13-17-27(18-14-23)34(38)39/h3-20,26,28H,2,21-22H2,1H3,(H,32,37)(H,33,35)/b19-15+,20-16+/t26-,28+/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429335
PNG
(jm5b01461, Compound 152)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1ccc(Cl)o1)c1ccc(cc1)C(C)(C)C)c1cccnc1
Show InChI InChI=1S/C26H30ClN3O3/c1-25(2,3)18-9-11-19(12-10-18)30(24(32)20-13-14-21(27)33-20)22(17-8-7-15-28-16-17)23(31)29-26(4,5)6/h7-16,22H,1-6H3,(H,29,31)
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429315
PNG
(jm5b01461, Compound 135)
Show SMILES OC(=O)c1ccc(\C=C2\C(NN(C2=O)c2ccc(cc2)C#N)c2ccccc2)cc1
Show InChI InChI=1S/C24H17N3O3/c25-15-17-8-12-20(13-9-17)27-23(28)21(22(26-27)18-4-2-1-3-5-18)14-16-6-10-19(11-7-16)24(29)30/h1-14,22,26H,(H,29,30)/b21-14-
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429338
PNG
(jm5b01461, Compound 155)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1ccncn1
Show InChI InChI=1S/C25H30N4O3/c1-24(2,3)17-9-11-18(12-10-17)29(23(31)20-8-7-15-32-20)21(19-13-14-26-16-27-19)22(30)28-25(4,5)6/h7-16,21H,1-6H3,(H,28,30)
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50450775
PNG
(CHEMBL4207055 | med.21724, Compound 142)
Show SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(C)=C(O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)C2C1
Show InChI InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23?,26-,27-,28+,29-,30+/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429326
PNG
(jm5b01461, Compound 144)
Show SMILES Fc1ccc(cc1)C(=O)N1CC2CCCCC2CC1CNC(Cc1c[nH]cn1)C=O
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM420983
PNG
(US9975885, Compound 3P | med.21724, Compound 125)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)C(C)(C)C)c1cccnc1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429320
PNG
(jm5b01461, Compound 140)
Show SMILES [O-][N+](=O)c1ccc(CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C18H11ClN4O3S/c19-13-5-3-12(4-6-13)16-15(9-20)17(24)22-18(21-16)27-10-11-1-7-14(8-2-11)23(25)26/h1-8H,10H2,(H,21,22,24)
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429340
PNG
(jm5b01461, Compound 157)
Show SMILES CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(C)=O)cc1)c1ccn(C)c1
Show InChI InChI=1S/C28H33N7O3/c1-6-28(3,4)30-27(38)26(20-15-16-33(5)17-20)35(22-13-11-21(12-14-22)29-19(2)36)25(37)18-34-24-10-8-7-9-23(24)31-32-34/h7-17,26H,6,18H2,1-5H3,(H,29,36)(H,30,38)
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429154
PNG
(jm5b01461, Compound 51)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)CF
Show InChI InChI=1S/C21H30FN3O5/c1-14(2)19(24-21(29)30-13-15-8-6-5-7-9-15)20(28)23-16(17(26)12-22)10-11-18(27)25(3)4/h5-9,14,16,19H,10-13H2,1-4H3,(H,23,28)(H,24,29)/t16-,19-/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429324
PNG
(jm5b01461, Compound 143.1)
Show SMILES Brc1ccc(cc1)C(=O)N1C[C@@H]2CCCC[C@@H]2C[C@H]1CNC(Cc1c[nH]cn1)C=O
Show InChI InChI=1S/C23H29BrN4O2/c24-19-7-5-16(6-8-19)23(30)28-13-18-4-2-1-3-17(18)9-22(28)12-26-21(14-29)10-20-11-25-15-27-20/h5-8,11,14-15,17-18,21-22,26H,1-4,9-10,12-13H2,(H,25,27)/t17-,18+,21?,22+/m1/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429316
PNG
(jm5b01461, Compound 136)
Show SMILES OC(=O)c1ccc(\C=C2\C(NN(C2=O)c2ccc(F)cc2)c2ccccc2)cc1
Show InChI InChI=1S/C23H17FN2O3/c24-18-10-12-19(13-11-18)26-22(27)20(21(25-26)16-4-2-1-3-5-16)14-15-6-8-17(9-7-15)23(28)29/h1-14,21,25H,(H,28,29)/b20-14-
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429342
PNG
(jm5b01461, Compound 159)
Show SMILES CCC(=O)Nc1ccc(cc1)N(C(C(=O)NC(C)(C)C)c1ccn(C)c1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C28H33N7O3/c1-6-24(36)29-20-11-13-21(14-12-20)35(25(37)18-34-23-10-8-7-9-22(23)31-32-34)26(19-15-16-33(5)17-19)27(38)30-28(2,3)4/h7-17,26H,6,18H2,1-5H3,(H,29,36)(H,30,38)
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429257
PNG
(jm5b01461, Compound 75)
Show SMILES Cc1noc(C)c1CC1C(=O)C(=O)c2cc(ccc12)C#N
Show InChI InChI=1S/C16H12N2O3/c1-8-12(9(2)21-18-8)6-14-11-4-3-10(7-17)5-13(11)15(19)16(14)20/h3-5,14H,6H2,1-2H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429349
PNG
(jm5b01461, Compound 166)
Show SMILES Cn1ccc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(NC(=O)C3CCC3)cc2)c1
Show InChI InChI=1S/C25H26N6O2/c1-29-14-13-18(15-29)16-30(24(32)17-31-23-8-3-2-7-22(23)27-28-31)21-11-9-20(10-12-21)26-25(33)19-5-4-6-19/h2-3,7-15,19H,4-6,16-17H2,1H3,(H,26,33)
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429268
PNG
(jm5b01461, Compound 86)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3oc4cc(O)cc(O)c4c(=O)c3O)c2o1
Show InChI InChI=1S/C30H18O11/c31-14-4-1-12(2-5-14)22-11-21(37)25-20(36)10-19(35)24(30(25)40-22)16-7-13(3-6-17(16)33)29-28(39)27(38)26-18(34)8-15(32)9-23(26)41-29/h1-11,31-36,39H
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429317
PNG
(jm5b01461, Compound 137)
Show SMILES OC(=O)c1ccc(\C=C2\C(NN(C2=O)c2ccc(cc2)[N+]([O-])=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H17N3O5/c27-22-20(14-15-6-8-17(9-7-15)23(28)29)21(16-4-2-1-3-5-16)24-25(22)18-10-12-19(13-11-18)26(30)31/h1-14,21,24H,(H,28,29)/b20-14-
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429146
PNG
(jm5b01461, Compound 50)
Show SMILES CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)CF
Show InChI InChI=1S/C22H32FN3O5/c1-5-15(2)20(25-22(30)31-14-16-9-7-6-8-10-16)21(29)24-17(18(27)13-23)11-12-19(28)26(3)4/h6-10,15,17,20H,5,11-14H2,1-4H3,(H,24,29)(H,25,30)/t15?,17-,20-/m0/s1
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM428975
PNG
(jm5b01461, Compound 17)
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)C
Show InChI InChI=1S/C30H44N4O7/c1-6-40-25(35)13-12-23(17-22-14-15-31-27(22)36)32-28(37)24(16-19(2)3)33-29(38)26(20(4)5)34-30(39)41-18-21-10-8-7-9-11-21/h7-13,19-20,22-24,26H,6,14-18H2,1-5H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/b13-12+/t22-,23+,24+,26-/m0/s1
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429344
PNG
(jm5b01461, Compound 161)
Show SMILES Cn1ccc(c1)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(=O)C2CC2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C29H33N7O3/c1-29(2,3)31-28(39)26(20-15-16-34(4)17-20)36(22-13-11-21(12-14-22)30-27(38)19-9-10-19)25(37)18-35-24-8-6-5-7-23(24)32-33-35/h5-8,11-17,19,26H,9-10,18H2,1-4H3,(H,30,38)(H,31,39)
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50370961
PNG
(CHEMBL376902 | med.21724, Compound 110)
Show SMILES OC(=O)c1cc(Br)ccc1-c1ccc(\C=C2\C(=O)NN(C2=O)c2ccc(Cl)c(Cl)c2)o1
Show InChI InChI=1S/C21H11BrCl2N2O5/c22-10-1-4-13(14(7-10)21(29)30)18-6-3-12(31-18)9-15-19(27)25-26(20(15)28)11-2-5-16(23)17(24)8-11/h1-9H,(H,25,27)(H,29,30)/b15-9-
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n/an/a 9.19E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429258
PNG
(jm5b01461, Compound 76)
Show SMILES Fc1ccc(CC2C(=O)C(=O)c3cc(I)ccc23)c(Cl)c1
Show InChI InChI=1S/C16H9ClFIO2/c17-14-6-9(18)2-1-8(14)5-12-11-4-3-10(19)7-13(11)16(21)15(12)20/h1-4,6-7,12H,5H2
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n/an/a 9.40E+3n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429277
PNG
(jm5b01461, Compound 95)
Show SMILES COC(=O)C1(C)CCC2(C)CCC3(C)C4=CC=C5C(C)=C(O)C(=O)C=C5C4(C)CCC3(C)C2C1
Show InChI InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11265
PNG
(N-(4-chlorophenyl)-2-[(4-{5-[1-methyl-5-(trifluoro...)
Show SMILES Cn1nc(cc1C(F)(F)F)-c1ccc(s1)-c1ccnc(SCC(=O)Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C21H15ClF3N5OS2/c1-30-18(21(23,24)25)10-15(29-30)17-7-6-16(33-17)14-8-9-26-20(28-14)32-11-19(31)27-13-4-2-12(22)3-5-13/h2-10H,11H2,1H3,(H,27,31)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429281
PNG
(jm5b01461, Compound 99)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20?,21?,22?,23?,24?,27-,28+,29+,30-/m0/s1
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Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429077
PNG
(jm5b01461, Compound 30)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C22H18ClN3O4/c23-18-14-17(26(29)30)11-12-19(18)24-22(28)20(13-15-7-3-1-4-8-15)25-21(27)16-9-5-2-6-10-16/h1-12,14,20H,13H2,(H,24,28)(H,25,27)/t20-/m0/s1
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Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429244
PNG
(jm5b01461, Compound 61)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C32H41F3N4O6/c1-19(2)16-25(29(42)37-24(27(40)32(33,34)35)17-22-12-8-6-9-13-22)38-30(43)26(20(3)4)39-28(41)21(5)36-31(44)45-18-23-14-10-7-11-15-23/h6-15,19-21,24-26H,16-18H2,1-5H3,(H,36,44)(H,37,42)(H,38,43)(H,39,41)/t21-,24-,25-,26-/m0/s1
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Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11259
PNG
(dipeptidomimetic unsaturated ester 18a | ethyl (2E...)
Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C37H36N2O4/c1-2-43-36(41)25-23-33(26-29-12-6-3-7-13-29)38-37(42)34(27-30-14-8-4-9-15-30)39-35(40)24-20-28-18-21-32(22-19-28)31-16-10-5-11-17-31/h3-25,33-34H,2,26-27H2,1H3,(H,38,42)(H,39,40)/b24-20+,25-23+/t33-,34+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



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Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429079
PNG
(jm5b01461, Compound 31)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C22H17ClN4O6/c23-18-13-17(27(32)33)10-11-19(18)24-22(29)20(12-14-4-2-1-3-5-14)25-21(28)15-6-8-16(9-7-15)26(30)31/h1-11,13,20H,12H2,(H,24,29)(H,25,28)/t20-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429081
PNG
(jm5b01461, Compound 32)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H19N3O4/c26-21(17-9-5-2-6-10-17)24-20(15-16-7-3-1-4-8-16)22(27)23-18-11-13-19(14-12-18)25(28)29/h1-14,20H,15H2,(H,23,27)(H,24,26)/t20-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429084
PNG
(jm5b01461, Compound 34)
Show SMILES CN(C)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H25N3O2/c1-27(2)21-15-13-19(14-16-21)23(28)26-22(17-18-9-5-3-6-10-18)24(29)25-20-11-7-4-8-12-20/h3-16,22H,17H2,1-2H3,(H,25,29)(H,26,28)/t22-/m0/s1
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429083
PNG
(jm5b01461, Compound 33)
Show SMILES CN(C)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H24N4O4/c1-27(2)20-12-8-18(9-13-20)23(29)26-22(16-17-6-4-3-5-7-17)24(30)25-19-10-14-21(15-11-19)28(31)32/h3-15,22H,16H2,1-2H3,(H,25,30)(H,26,29)/t22-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11262
PNG
(dipeptidomimetic unsaturated ester 18d | ethyl (2E...)
Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(OC)cc1OC
Show InChI InChI=1S/C33H36N2O6/c1-4-41-32(37)20-17-27(21-24-11-7-5-8-12-24)34-33(38)29(22-25-13-9-6-10-14-25)35-31(36)19-16-26-15-18-28(39-2)23-30(26)40-3/h5-20,23,27,29H,4,21-22H2,1-3H3,(H,34,38)(H,35,36)/b19-16+,20-17+/t27-,29+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429337
PNG
(jm5b01461, Compound 154)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1ccnnc1
Show InChI InChI=1S/C25H30N4O3/c1-24(2,3)18-9-11-19(12-10-18)29(23(31)20-8-7-15-32-20)21(17-13-14-26-27-16-17)22(30)28-25(4,5)6/h7-16,21H,1-6H3,(H,28,30)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429085
PNG
(jm5b01461, Compound 35)
Show SMILES CN(C)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C24H24ClN3O2/c1-28(2)19-14-12-18(13-15-19)23(29)27-22(16-17-8-4-3-5-9-17)24(30)26-21-11-7-6-10-20(21)25/h3-15,22H,16H2,1-2H3,(H,26,30)(H,27,29)/t22-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429279
PNG
(jm5b01461, Compound 97)
Show SMILES CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)C3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22?,25-,26-,27+,28-,29+/m1/s1
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n/an/a 1.03E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429319
PNG
(jm5b01461, Compound 139)
Show SMILES [O-][N+](=O)c1ccc(CSc2nc(-c3cccc(c3)[N+]([O-])=O)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C18H11N5O5S/c19-9-15-16(12-2-1-3-14(8-12)23(27)28)20-18(21-17(15)24)29-10-11-4-6-13(7-5-11)22(25)26/h1-8H,10H2,(H,20,21,24)
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n/an/a 1.06E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429287
PNG
(jm5b01461, Compound 107)
Show SMILES CSC1=C(C(C)C(S1)c1nc(C)cs1)c1ccnc(SCC(=O)Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H21ClN4OS4/c1-12-10-30-20(25-12)19-13(2)18(21(29-3)32-19)16-8-9-24-22(27-16)31-11-17(28)26-15-6-4-14(23)5-7-15/h4-10,13,19H,11H2,1-3H3,(H,26,28)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429341
PNG
(jm5b01461, Compound 158)
Show SMILES CCC(C)(C)NC(=O)C(N(C(=O)Cn1cc(nn1)-c1ccccc1)c1ccc(NC(C)=O)cc1)c1ccn(C)c1
Show InChI InChI=1S/C30H35N7O3/c1-6-30(3,4)32-29(40)28(23-16-17-35(5)18-23)37(25-14-12-24(13-15-25)31-21(2)38)27(39)20-36-19-26(33-34-36)22-10-8-7-9-11-22/h7-19,28H,6,20H2,1-5H3,(H,31,38)(H,32,40)
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429288
PNG
(jm5b01461, Compound 108)
Show SMILES CSC1=C(C(C)C(S1)c1nc(C)cs1)c1ccnc(SCC(=O)Nc2ccccc2Cl)n1
Show InChI InChI=1S/C22H21ClN4OS4/c1-12-10-30-20(25-12)19-13(2)18(21(29-3)32-19)16-8-9-24-22(27-16)31-11-17(28)26-15-7-5-4-6-14(15)23/h4-10,13,19H,11H2,1-3H3,(H,26,28)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11253
PNG
(AG7088 analogue 3c | ethyl (2E,4S)-4-[(2R,5S)-2-be...)
Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccccc1
Show InChI InChI=1S/C33H39N3O6/c1-5-41-30(38)17-16-27(20-25-14-10-7-11-15-25)34-32(39)26(19-24-12-8-6-9-13-24)21-29(37)31(22(2)3)35-33(40)28-18-23(4)42-36-28/h6-18,22,26-27,31H,5,19-21H2,1-4H3,(H,34,39)(H,35,40)/b17-16+/t26-,27-,31+/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429309
PNG
(jm5b01461, Compound 129)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Cc1cc(Br)ccn1
Show InChI InChI=1S/C17H11BrClNO2/c18-12-7-8-20-14(9-12)10-15(21)17-6-5-16(22-17)11-1-3-13(19)4-2-11/h1-9H,10H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM428969
PNG
(jm5b01461, Compound 16)
Show SMILES CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C33H42N4O7/c1-4-43-28(38)16-15-26(20-25-17-18-34-30(25)39)35-31(40)27(19-23-11-7-5-8-12-23)36-32(41)29(22(2)3)37-33(42)44-21-24-13-9-6-10-14-24/h5-16,22,25-27,29H,4,17-21H2,1-3H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b16-15+/t25-,26+,27+,29-/m0/s1
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n/an/a 1.32E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM154573
PNG
(8-(trifluoromethyl)-9H-purin-6-amine (4) | jm5b014...)
Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F
Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)
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n/an/a 1.39E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11268
PNG
(N-(4-chlorophenyl)-2-({4-[2-(2-methyl-1,3-thiazol-...)
Show SMILES Cc1nc(cs1)-c1nc(cs1)-c1ccnc(SCC(=O)Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C19H14ClN5OS3/c1-11-22-16(9-27-11)18-24-15(8-28-18)14-6-7-21-19(25-14)29-10-17(26)23-13-4-2-12(20)3-5-13/h2-9H,10H2,1H3,(H,23,26)
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429368
PNG
(jm5b01461, Compound 185)
Show SMILES OCC1C(COCc2ccccc2)CC1N1CNc2c1ncnc2Cl
Show InChI InChI=1S/C18H21ClN4O2/c19-17-16-18(21-10-20-17)23(11-22-16)15-6-13(14(15)7-24)9-25-8-12-4-2-1-3-5-12/h1-5,10,13-15,22,24H,6-9,11H2
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n/an/a 1.45E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11269
PNG
(N-(4-chlorophenyl)-2-{[4-(3-phenyl-1,2-oxazol-5-yl...)
Show SMILES Clc1ccc(NC(=O)CSc2nccc(n2)-c2cc(no2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H15ClN4O2S/c22-15-6-8-16(9-7-15)24-20(27)13-29-21-23-11-10-17(25-21)19-12-18(26-28-19)14-4-2-1-3-5-14/h1-12H,13H2,(H,24,27)
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429245
PNG
(jm5b01461, Compound 62)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-16(2)13-20(29-23(32)33-15-18-11-7-4-8-12-18)22(31)28-19(21(30)24(25,26)27)14-17-9-5-3-6-10-17/h3-12,16,19-20H,13-15H2,1-2H3,(H,28,31)(H,29,32)/t19-,20-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM23308
PNG
(3-benzyl-1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinoli...)
Show SMILES Cc1ccccc1CCN(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C29H31N3O2/c1-20-9-7-8-12-24(20)13-14-32(29(34)30-18-23-10-5-4-6-11-23)19-26-17-25-15-21(2)22(3)16-27(25)31-28(26)33/h4-12,15-17H,13-14,18-19H2,1-3H3,(H,30,34)(H,31,33)
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n/an/a 1.72E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM47844
PNG
(4-chloranyl-N-(1-methylbenzimidazol-5-yl)benzamide...)
Show SMILES Cn1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C15H12ClN3O/c1-19-9-17-13-8-12(6-7-14(13)19)18-15(20)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,18,20)
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n/an/a 1.82E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM23307
PNG
(2-[(2-cyclohexylquinazolin-4-yl)sulfanyl]-N-(furan...)
Show SMILES O=C(CSc1nc(nc2ccccc12)C1CCCCC1)NCc1ccco1
Show InChI InChI=1S/C21H23N3O2S/c25-19(22-13-16-9-6-12-26-16)14-27-21-17-10-4-5-11-18(17)23-20(24-21)15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8,13-14H2,(H,22,25)
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n/an/a 1.82E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM428946
PNG
(jm5b01461, Compound 2)
Show SMILES CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC(=O)C(NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1
Show InChI InChI=1S/C31H39FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-11,14,18,21-22,24,28H,5,12-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429246
PNG
(jm5b01461, Compound 63)
Show SMILES FC(F)(F)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H25F3N2O4/c28-27(29,30)24(33)22(16-19-10-4-1-5-11-19)31-25(34)23(17-20-12-6-2-7-13-20)32-26(35)36-18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,31,34)(H,32,35)/t22-,23-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429280
PNG
(jm5b01461, Compound 98)
Show SMILES CC1=C(O)C(O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)C3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
Show InChI InChI=1S/C29H40O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,20,22,30-31H,9-14,16H2,1-6H3,(H,32,33)/t20?,22?,25-,26-,27+,28-,29+/m1/s1
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n/an/a 2.17E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429267
PNG
(jm5b01461, Compound 85)
Show SMILES C[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21+/m1/s1
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n/an/a 2.41E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429282
PNG
(jm5b01461, Compound 100)
Show SMILES O=C1OC[C@H](Cc2ccc3OCOc3c2)C1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15?/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM428983
PNG
(jm5b01461, Compound 20)
Show SMILES CC(C)C[C@H](NC(=O)C(NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)O)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O
Show InChI InChI=1S/C33H49N7O9/c1-17(2)15-24(36-32(48)28(19(5)41)37-31(47)27(18(3)4)34-20(6)42)30(46)35-23(13-14-26(44)39(7)8)25(43)16-40-33(49)22-12-10-9-11-21(22)29(45)38-40/h9-12,17-19,23-24,27-28,41H,13-16H2,1-8H3,(H,34,42)(H,35,46)(H,36,48)(H,37,47)(H,38,45)/t19?,23-,24-,27-,28?/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429311
PNG
(jm5b01461, Compound 131)
Show SMILES FC(C(=O)c1cnc(o1)-c1ccc(Cl)cc1)c1cc(Br)ccn1
Show InChI InChI=1S/C16H9BrClFN2O2/c17-10-5-6-20-12(7-10)14(19)15(22)13-8-21-16(23-13)9-1-3-11(18)4-2-9/h1-8,14H
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429330
PNG
(jm5b01461, Compound 147)
Show SMILES CC(C)c1ccc(cc1)N(C(C(=O)NC(C)(C)C)c1cccnc1)C(=O)c1ccco1
Show InChI InChI=1S/C25H29N3O3/c1-17(2)18-10-12-20(13-11-18)28(24(30)21-9-7-15-31-21)22(19-8-6-14-26-16-19)23(29)27-25(3,4)5/h6-17,22H,1-5H3,(H,27,29)
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n/an/a 2.81E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429271
PNG
(jm5b01461, Compound 89)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-36H,1-2H3
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n/an/a 3.27E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM47919
PNG
(Furan-2-carboxylic acid (4-sec-butyl-phenyl)-(cycl...)
Show SMILES CCC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1
Show InChI InChI=1S/C27H31N3O3/c1-3-19(2)20-12-14-23(15-13-20)30(27(32)24-11-7-17-33-24)25(21-8-6-16-28-18-21)26(31)29-22-9-4-5-10-22/h6-8,11-19,22,25H,3-5,9-10H2,1-2H3,(H,29,31)
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50484479
PNG
(CHEMBL479724 | med.21724, Compound 44)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C=O
Show InChI InChI=1S/C26H46N6O8/c1-14(2)11-19(24(38)29-18(12-33)9-10-21(36)32(7)8)30-26(40)22(15(3)4)31-23(37)16(5)27-25(39)20(13-34)28-17(6)35/h12,14-16,18-20,22,34H,9-11,13H2,1-8H3,(H,27,39)(H,28,35)(H,29,38)(H,30,40)(H,31,37)/t16-,18-,19-,20-,22-/m0/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429270
PNG
(jm5b01461, Compound 88)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(=O)c4c(O)cc(OC)cc4o3)c2o1
Show InChI InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,34-36H,1-3H3
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n/an/a 3.84E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11255
PNG
(AG7088 analogue 4a | ethyl (2E,4S)-4-[(2S)-3-(4-fl...)
Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C
Show InChI InChI=1S/C32H37FN4O6/c1-5-42-28(38)16-15-25(18-22-9-7-6-8-10-22)34-30(39)26(19-23-11-13-24(33)14-12-23)35-32(41)29(20(2)3)36-31(40)27-17-21(4)43-37-27/h6-17,20,25-26,29H,5,18-19H2,1-4H3,(H,34,39)(H,35,41)(H,36,40)/b16-15+/t25-,26+,29+/m1/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429331
PNG
(jm5b01461, Compound 148)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1cnco1)c1ccc(cc1)C(C)(C)C)c1cccnc1
Show InChI InChI=1S/C25H30N4O3/c1-24(2,3)18-9-11-19(12-10-18)29(23(31)20-15-27-16-32-20)21(17-8-7-13-26-14-17)22(30)28-25(4,5)6/h7-16,21H,1-6H3,(H,28,30)
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429247
PNG
(jm5b01461, Compound 64)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)C(F)(F)F
Show InChI InChI=1S/C15H25F3N2O4/c1-8(2)7-10(20-13(23)24-14(4,5)6)12(22)19-9(3)11(21)15(16,17)18/h8-10H,7H2,1-6H3,(H,19,22)(H,20,23)/t9-,10-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429248
PNG
(jm5b01461, Compound 65)
Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)C(F)(F)F
Show InChI InChI=1S/C16H24F3N3O7/c1-8(12(26)20-7-10(23)16(17,18)19)21-13(27)9(5-6-11(24)25)22-14(28)29-15(2,3)4/h8-9H,5-7H2,1-4H3,(H,20,26)(H,21,27)(H,22,28)(H,24,25)/t8-,9-/m0/s1
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429266
PNG
(jm5b01461, Compound 84)
Show SMILES OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1
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n/an/a 4.27E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429339
PNG
(jm5b01461, Compound 156)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1ccncc1
Show InChI InChI=1S/C26H31N3O3/c1-25(2,3)19-9-11-20(12-10-19)29(24(31)21-8-7-17-32-21)22(18-13-15-27-16-14-18)23(30)28-26(4,5)6/h7-17,22H,1-6H3,(H,28,30)
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429334
PNG
(jm5b01461, Compound 151)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1ncco1)c1ccc(cc1)C(C)(C)C)c1cccnc1
Show InChI InChI=1S/C25H30N4O3/c1-24(2,3)18-9-11-19(12-10-18)29(23(31)22-27-14-15-32-22)20(17-8-7-13-26-16-17)21(30)28-25(4,5)6/h7-16,20H,1-6H3,(H,28,30)
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429367
PNG
(jm5b01461, Compound 184)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CNc2c1ncnc2Cl
Show InChI InChI=1S/C10H13ClN4O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2,4,6-7,10,14,16-18H,1,3H2/t4-,6-,7-,10-/m1/s1
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429273
PNG
(jm5b01461, Compound 91)
Show SMILES CC(C)c1cc2CCC3C(C)(C)CCCC3(C)c2cc1O
Show InChI InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429250
PNG
(jm5b01461, Compound 67)
Show SMILES CCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H39F3N2O3/c1-4-5-6-7-8-9-13-16-23(32)30-22(17-19(2)3)25(34)31-21(24(33)26(27,28)29)18-20-14-11-10-12-15-20/h10-12,14-15,19,21-22H,4-9,13,16-18H2,1-3H3,(H,30,32)(H,31,34)/t21-,22-/m0/s1
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429251
PNG
(jm5b01461, Compound 68)
Show SMILES CCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H37F3N2O3/c1-4-5-6-7-8-12-15-22(31)29-21(16-18(2)3)24(33)30-20(23(32)25(26,27)28)17-19-13-10-9-11-14-19/h9-11,13-14,18,20-21H,4-8,12,15-17H2,1-3H3,(H,29,31)(H,30,33)/t20-,21-/m0/s1
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429249
PNG
(jm5b01461, Compound 66)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)NCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H16F3N3O5/c1-5(9(21)16-4-7(18)11(12,13)14)17-10(22)6(15)2-3-8(19)20/h5-6H,2-4,15H2,1H3,(H,16,21)(H,17,22)(H,19,20)/t5-,6-/m0/s1
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429318
PNG
(jm5b01461, Compound 138)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc(SCc2ccccc2)[nH]c(=O)c1C#N
Show InChI InChI=1S/C18H12N4O3S/c19-10-15-16(13-7-4-8-14(9-13)22(24)25)20-18(21-17(15)23)26-11-12-5-2-1-3-6-12/h1-9H,11H2,(H,20,21,23)
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429332
PNG
(jm5b01461, Compound 149)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1cccs1)c1ccc(cc1)C(C)(C)C)c1cccnc1
Show InChI InChI=1S/C26H31N3O2S/c1-25(2,3)19-11-13-20(14-12-19)29(24(31)21-10-8-16-32-21)22(18-9-7-15-27-17-18)23(30)28-26(4,5)6/h7-17,22H,1-6H3,(H,28,30)
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM428987
PNG
(jm5b01461, Compound 22)
Show SMILES CC(C)C[C@H](NC(=O)C(NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)O)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)Cn1[nH]c(=O)c2c(cccc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C33H48N8O11/c1-16(2)14-22(36-32(49)28(18(5)42)37-31(48)27(17(3)4)34-19(6)43)29(46)35-21(12-13-25(45)39(7)8)24(44)15-40-33(50)20-10-9-11-23(41(51)52)26(20)30(47)38-40/h9-11,16-18,21-22,27-28,42H,12-15H2,1-8H3,(H,34,43)(H,35,46)(H,36,49)(H,37,48)(H,38,47)/t18?,21-,22-,27-,28?/m0/s1
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Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429312
PNG
(jm5b01461, Compound 132)
Show SMILES FC(F)(C(=O)c1cnc(o1)-c1ccc(Cl)cc1)c1cc(Br)ccn1
Show InChI InChI=1S/C16H8BrClF2N2O2/c17-10-5-6-21-13(7-10)16(19,20)14(23)12-8-22-15(24-12)9-1-3-11(18)4-2-9/h1-8H
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Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM429340
PNG
(jm5b01461, Compound 157)
Show SMILES CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(C)=O)cc1)c1ccn(C)c1
Show InChI InChI=1S/C28H33N7O3/c1-6-28(3,4)30-27(38)26(20-15-16-33(5)17-20)35(22-13-11-21(12-14-22)29-19(2)36)25(37)18-34-24-10-8-7-9-23(24)31-32-34/h7-17,26H,6,18H2,1-5H3,(H,29,36)(H,30,38)
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Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM428978
PNG
(jm5b01461, Compound 19)
Show SMILES CC(C)C[C@H](NC(=O)C(NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O
Show InChI InChI=1S/C40H55N7O9/c1-23(2)20-31(43-39(54)35(25(5)56-22-27-14-10-9-11-15-27)44-38(53)34(24(3)4)41-26(6)48)37(52)42-30(18-19-33(50)46(7)8)32(49)21-47-40(55)29-17-13-12-16-28(29)36(51)45-47/h9-17,23-25,30-31,34-35H,18-22H2,1-8H3,(H,41,48)(H,42,52)(H,43,54)(H,44,53)(H,45,51)/t25?,30-,31-,34-,35?/m0/s1
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n/an/a 6.40E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429323
PNG
(jm5b01461, Compound 142)
Show SMILES O=CC(Cc1c[nH]cn1)NCC1CC2CCCCC2CN1C(=O)c1ccccc1
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Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM428984
PNG
(jm5b01461, Compound 21)
Show SMILES CC(C)C[C@H](NC(=O)C(NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)Cn1[nH]c(=O)c2c(cccc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C40H54N8O11/c1-22(2)19-29(43-39(55)35(24(5)59-21-26-13-10-9-11-14-26)44-38(54)34(23(3)4)41-25(6)49)36(52)42-28(17-18-32(51)46(7)8)31(50)20-47-40(56)27-15-12-16-30(48(57)58)33(27)37(53)45-47/h9-16,22-24,28-29,34-35H,17-21H2,1-8H3,(H,41,49)(H,42,52)(H,43,55)(H,44,54)(H,45,53)/t24?,28-,29-,34-,35?/m0/s1
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University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429269
PNG
(jm5b01461, Compound 87)
Show SMILES COc1ccc(cc1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C31H20O11/c1-40-22-7-4-14(30-29(39)28(38)27-18(34)9-16(33)10-24(27)42-30)8-17(22)25-19(35)11-20(36)26-21(37)12-23(41-31(25)26)13-2-5-15(32)6-3-13/h2-12,32-36,39H,1H3
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n/an/a 7.23E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429310
PNG
(jm5b01461, Compound 130)
Show SMILES Clc1ccc(cc1)-c1ncc(o1)C(=O)Cc1cc(Br)ccn1
Show InChI InChI=1S/C16H10BrClN2O2/c17-11-5-6-19-13(7-11)8-14(21)15-9-20-16(22-15)10-1-3-12(18)4-2-10/h1-7,9H,8H2
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n/an/a 7.50E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429336
PNG
(jm5b01461, Compound 153)
Show SMILES Cn1cnc(c1)C(=O)N(C(C(=O)NC(C)(C)C)c1cccnc1)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C26H33N5O2/c1-25(2,3)19-10-12-20(13-11-19)31(24(33)21-16-30(7)17-28-21)22(18-9-8-14-27-15-18)23(32)29-26(4,5)6/h8-17,22H,1-7H3,(H,29,32)
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n/an/a 7.50E+4n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429218
PNG
(jm5b01461, Compound 54)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CF
Show InChI InChI=1S/C18H23FN2O6/c1-11(2)16(17(25)20-13(8-15(23)24)14(22)9-19)21-18(26)27-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t13-,16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429212
PNG
(jm5b01461, Compound 53)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)CF
Show InChI InChI=1S/C19H26FN3O5/c1-13(21-19(27)28-12-14-7-5-4-6-8-14)18(26)22-15(16(24)11-20)9-10-17(25)23(2)3/h4-8,13,15H,9-12H2,1-3H3,(H,21,27)(H,22,26)/t13-,15-/m0/s1
PDB