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Compile Data Set for Download or QSAR

Found 251 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59242
PNG
(Benzotriazole ester, 8)
Show SMILES O=C(On1nnc2ccccc12)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C15H10N4O2/c20-15(11-5-6-12-10(9-11)7-8-16-12)21-19-14-4-2-1-3-13(14)17-18-19/h1-9,16H
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7.5n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Chem Biol 13: 261-8 (2006)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59240
PNG
(Benzotriazole ester, 6)
Show SMILES CCN(CC)c1ccc(cc1)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C17H18N4O2/c1-3-20(4-2)14-11-9-13(10-12-14)17(22)23-21-16-8-6-5-7-15(16)18-19-21/h5-12H,3-4H2,1-2H3
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11.1n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Chem Biol 13: 261-8 (2006)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59239
PNG
(Benzotriazole ester, 5)
Show SMILES CNc1ccc(cc1)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C14H12N4O2/c1-15-11-8-6-10(7-9-11)14(19)20-18-13-5-3-2-4-12(13)16-17-18/h2-9,15H,1H3
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12.1n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Chem Biol 13: 261-8 (2006)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59243
PNG
(Benzotriazole ester, 9)
Show SMILES O=C(On1nnc2ccccc12)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H10N4O2/c20-15(13-9-10-5-1-2-6-11(10)16-13)21-19-14-8-4-3-7-12(14)17-18-19/h1-9,16H
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12.3n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Chem Biol 13: 261-8 (2006)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59244
PNG
(Benzotriazole ester, 10)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C15H9FN4O2/c16-10-5-6-11-9(7-10)8-13(17-11)15(21)22-20-14-4-2-1-3-12(14)18-19-20/h1-8,17H
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13.8n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Chem Biol 13: 261-8 (2006)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59238
PNG
(Benzotriazole ester, 4)
Show SMILES CN(C)c1ccc(cc1)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C15H14N4O2/c1-18(2)12-9-7-11(8-10-12)15(20)21-19-14-6-4-3-5-13(14)16-17-19/h3-10H,1-2H3
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17.4n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Chem Biol 13: 261-8 (2006)

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)
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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19.5n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Chem Biol 13: 261-8 (2006)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59241
PNG
(Benzotriazole ester, 7)
Show SMILES O=C(On1nnc2ccccc12)c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C14H9N5O2/c20-14(9-5-6-10-12(7-9)16-8-15-10)21-19-13-4-2-1-3-11(13)17-18-19/h1-8H,(H,15,16)
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22.9n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Chem Biol 13: 261-8 (2006)

More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(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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30 -42.9 60n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 48: 4469-73 (2005)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM92520
PNG
(TG-0204998)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1)C(=O)NC(C[C@@H]1CCNC1=O)=CCC(C)=O
Show InChI InChI=1S/C32H47N5O7/c1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-11,13,20,23,25-26H,12,14-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t23-,25-,26-/m0/s1
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38 -42.4n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...


J Biol Chem 284: 7646-55 (2009)

More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11233
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES C[C@H](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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53 -41.5n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...


J Med Chem 49: 4971-80 (2006)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11233
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES C[C@H](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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54 -41.5n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...


J Biol Chem 284: 7646-55 (2009)

More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11232
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C
Show InChI InChI=1S/C33H50N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t22?,24-,25+,26-,28-/m0/s1
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58 -41.3n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...


J Med Chem 49: 4971-80 (2006)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11232
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C
Show InChI InChI=1S/C33H50N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t22?,24-,25+,26-,28-/m0/s1
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58 -41.3n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...


J Biol Chem 284: 7646-55 (2009)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM92521
PNG
(TG-0205486)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)NC(C[C@@H]1CCNC1=O)=CCC(=O)C1CC1
Show InChI InChI=1S/C34H50N4O7/c1-21(2)18-27(31(41)36-26(14-15-28(39)24-12-13-24)19-25-16-17-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-11,14,21-22,24-25,27,29H,12-13,15-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t22?,25-,27-,29-/m0/s1
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99 -40.0n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...


J Biol Chem 284: 7646-55 (2009)

More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(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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520 -35.9 1.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Bioorg Med Chem 13: 5240-52 (2005)

More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11231
PNG
(N-[(benzyloxy)carbonyl]-L-valyl-N1-((1S,2E)-4-etho...)
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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660 -35.3n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...


J Med Chem 49: 4971-80 (2006)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59246
PNG
(Benzotriazole ester, 14)
Show SMILES CCN(CC)c1ccc(cc1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C18H20N4O/c1-3-21(4-2)15-11-9-14(10-12-15)18(23)13-22-17-8-6-5-7-16(17)19-20-22/h5-12H,3-4,13H2,1-2H3
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1.00E+3n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Chem Biol 13: 261-8 (2006)

More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50188381
PNG
(5-iodo-1-(naphthalen-2-ylmethyl)indoline-2,3-dione...)
Show SMILES Ic1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C19H12INO2/c20-15-7-8-17-16(10-15)18(22)19(23)21(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2
PDB

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PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of SARS CoV 3C-like protease


J Med Chem 49: 3440-3 (2006)

More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11240
PNG
(Anilide Inhibitor 4k | N-[(benzyloxy)carbonyl]-L-v...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C41H45ClN6O9/c1-25(2)35(47-41(54)57-24-29-17-11-6-12-18-29)39(52)44-34(22-28-15-9-5-10-16-28)38(51)46-36(26(3)49)40(53)45-33(21-27-13-7-4-8-14-27)37(50)43-32-20-19-30(48(55)56)23-31(32)42/h4-20,23,25-26,33-36,49H,21-22,24H2,1-3H3,(H,43,50)(H,44,52)(H,45,53)(H,46,51)(H,47,54)/t26?,33-,34-,35-,36-/m0/s1
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1.51E+3 -33.2 6.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 48: 4469-73 (2005)

More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11239
PNG
((2S)-N-[(1S)-1-{[(1S,2S)-1-{[(1S)-1-[(2-chloro-4-n...)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C38H42ClN7O9/c1-21(2)32(43-36(50)31-17-22(3)55-45-31)37(51)41-30(19-25-13-9-6-10-14-25)35(49)44-33(23(4)47)38(52)42-29(18-24-11-7-5-8-12-24)34(48)40-28-16-15-26(46(53)54)20-27(28)39/h5-17,20-21,23,29-30,32-33,47H,18-19H2,1-4H3,(H,40,48)(H,41,51)(H,42,52)(H,43,50)(H,44,49)/t23?,29-,30-,32-,33-/m0/s1
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1.61E+3 -33.1 5.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 48: 4469-73 (2005)

More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM246524
PNG
(Psoralidin (5))
Show SMILES CC(C)=CCc1cc2c3oc4cc(O)ccc4c3c(=O)oc2cc1O
Show InChI InChI=1S/C20H16O5/c1-10(2)3-4-11-7-14-17(9-15(11)22)25-20(23)18-13-6-5-12(21)8-16(13)24-19(14)18/h3,5-9,21-22H,4H2,1-2H3
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1.70E+3n/a 4.20E+3n/an/an/an/a8.0n/a



Gyeongsang National University



Assay Description
Reactions were performed in a total volume of 200 mL, which contained thefollowing components: 20mM Tris-buffer, pH 8.0, 10mM DTT, 30 mM Z-RLRGG-AMC,...


J Enzyme Inhib Med Chem 29: 59-63 (2014)

More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11230
PNG
(AG7088 analogue 2d | CHEMBL277716 | N-[(benzyloxy)...)
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+3 -32.2n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...


J Med Chem 49: 4971-80 (2006)

More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11236
PNG
((2S)-N-[(1S)-1-[(2-chloro-4-nitrophenyl)carbamoyl]...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccs1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C31H36ClN5O6S/c1-18(2)15-24(35-31(41)27(19(3)4)36-30(40)26-11-8-14-44-26)28(38)34-25(16-20-9-6-5-7-10-20)29(39)33-23-13-12-21(37(42)43)17-22(23)32/h5-14,17-19,24-25,27H,15-16H2,1-4H3,(H,33,39)(H,34,38)(H,35,41)(H,36,40)/t24-,25-,27-/m0/s1
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2.29E+3 -32.2 5.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 48: 4469-73 (2005)

More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11260
PNG
(dipeptidomimetic unsaturated ester 18b | ethyl (2E...)
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+3 -32.0 5.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Bioorg Med Chem 13: 5240-52 (2005)

More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11237
PNG
((2S)-N-[(1S)-1-{[(1S)-1-[(2-chloro-4-nitrophenyl)c...)
Show SMILES CC(C)C(NC(=O)c1cc(C)[o+][n-]1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C34H35ClN6O7/c1-20(2)30(39-33(44)29-16-21(3)48-40-29)34(45)38-28(18-23-12-8-5-9-13-23)32(43)37-27(17-22-10-6-4-7-11-22)31(42)36-26-15-14-24(41(46)47)19-25(26)35/h4-16,19-20,27-28,30H,17-18H2,1-3H3,(H,36,42)(H,37,43)(H,38,45)(H,39,44)
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2.90E+3 -31.6 7.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 48: 4469-73 (2005)

More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11263
PNG
(dipeptidomimetic unsaturated ester 18e | ethyl (2E...)
Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C32H32N2O6/c1-2-38-31(36)18-15-26(19-23-9-5-3-6-10-23)33-32(37)27(20-24-11-7-4-8-12-24)34-30(35)17-14-25-13-16-28-29(21-25)40-22-39-28/h3-18,21,26-27H,2,19-20,22H2,1H3,(H,33,37)(H,34,35)/b17-14+,18-15+/t26-,27+/m1/s1
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3.05E+3 -31.5 7.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Bioorg Med Chem 13: 5240-52 (2005)

More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11241
PNG
((2S)-N,N'-bis[(1S)-1-[(2-chloro-4-nitrophenyl)carb...)
Show SMILES O[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C34H30Cl2N6O9/c35-24-17-22(41(48)49)11-13-26(24)38-32(45)28(15-20-7-3-1-4-8-20)37-31(44)19-30(43)34(47)40-29(16-21-9-5-2-6-10-21)33(46)39-27-14-12-23(42(50)51)18-25(27)36/h1-14,17-18,28-30,43H,15-16,19H2,(H,37,44)(H,38,45)(H,39,46)(H,40,47)/t28-,29-,30-/m0/s1
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3.10E+3 -31.4 4.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 48: 4469-73 (2005)

More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11238
PNG
((2S)-N-[(1S)-1-{[(1S)-1-[(2-chloro-4-nitrophenyl)c...)
Show SMILES CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C34H34ClN5O6S/c1-21(2)30(39-33(43)29-14-9-17-47-29)34(44)38-28(19-23-12-7-4-8-13-23)32(42)37-27(18-22-10-5-3-6-11-22)31(41)36-26-16-15-24(40(45)46)20-25(26)35/h3-17,20-21,27-28,30H,18-19H2,1-2H3,(H,36,41)(H,37,42)(H,38,44)(H,39,43)/t27-,28-,30-/m0/s1
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4.30E+3 -30.6 5.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 48: 4469-73 (2005)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59249
PNG
(Benzotriazole ester, 17)
Show SMILES CNc1ccc(cc1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C15H14N4O/c1-16-12-8-6-11(7-9-12)15(20)10-19-14-5-3-2-4-13(14)17-18-19/h2-9,16H,10H2,1H3
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4.50E+3n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Chem Biol 13: 261-8 (2006)

More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM246523
PNG
(4'-O-methylbavachalcone (4))
Show SMILES COc1cc(O)c(cc1CC=C(C)C)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C21H22O4/c1-14(2)4-8-16-12-18(20(24)13-21(16)25-3)19(23)11-7-15-5-9-17(22)10-6-15/h4-7,9-13,22,24H,8H2,1-3H3/b11-7+
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4.60E+3n/a 1.01E+4n/an/an/an/a8.0n/a



Gyeongsang National University



Assay Description
Reactions were performed in a total volume of 200 mL, which contained thefollowing components: 20mM Tris-buffer, pH 8.0, 10mM DTT, 30 mM Z-RLRGG-AMC,...


J Enzyme Inhib Med Chem 29: 59-63 (2014)

More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50441633
PNG
(4-Hydroxyisocordoin | ISOBAVACHALCONE | Isobacacha...)
Show SMILES CC(C)=CCc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O
Show InChI InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+
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4.90E+3n/a 7.30E+3n/an/an/an/a8.0n/a



Gyeongsang National University



Assay Description
Reactions were performed in a total volume of 200 mL, which contained thefollowing components: 20mM Tris-buffer, pH 8.0, 10mM DTT, 30 mM Z-RLRGG-AMC,...


J Enzyme Inhib Med Chem 29: 59-63 (2014)

More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(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+3 -29.6 1.00E+4n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Bioorg Med Chem 13: 5240-52 (2005)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59250
PNG
(Benzotriazole ester, 18)
Show SMILES CN(C)c1ccc(cc1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C16H16N4O/c1-19(2)13-9-7-12(8-10-13)16(21)11-20-15-6-4-3-5-14(15)17-18-20/h3-10H,11H2,1-2H3
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6.70E+3n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Chem Biol 13: 261-8 (2006)

More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM53072
PNG
((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
Show SMILES CCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
Show InChI InChI=1S/C15H14N2OS3/c1-3-9-17-13(18)12(21-15(17)19)14-16(4-2)10-7-5-6-8-11(10)20-14/h3,5-8H,1,4,9H2,2H3/b14-12-
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9.00E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...


Bioorg Med Chem 20: 5928-35 (2012)

More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(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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9.05E+3 -28.8 1.00E+4n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Bioorg Med Chem 13: 5240-52 (2005)

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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9.11E+3n/an/an/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus recombinant 3C-like protease expressed in Escherichia coli BL21(DE3) by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 3088-91 (2011)

More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM246522
PNG
(Neobavaisoflavone (2))
Show SMILES CC(C)=CCc1cc(ccc1O)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C20H18O4/c1-12(2)3-4-14-9-13(5-8-18(14)22)17-11-24-19-10-15(21)6-7-16(19)20(17)23/h3,5-11,21-22H,4H2,1-2H3
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9.40E+3n/a 1.83E+4n/an/an/an/a8.0n/a



Gyeongsang National University



Assay Description
Reactions were performed in a total volume of 200 mL, which contained thefollowing components: 20mM Tris-buffer, pH 8.0, 10mM DTT, 30 mM Z-RLRGG-AMC,...


J Enzyme Inhib Med Chem 29: 59-63 (2014)

More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50391431
PNG
(CHEMBL2146517)
Show SMILES COC(=O)[C@@]1(C)CCCc2c1ccc1-c3occ(C)c3C(=O)C(=O)c21
Show InChI InChI=1S/C20H18O5/c1-10-9-25-18-12-6-7-13-11(15(12)17(22)16(21)14(10)18)5-4-8-20(13,2)19(23)24-3/h6-7,9H,4-5,8H2,1-3H3/t20-/m0/s1
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9.70E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...


Bioorg Med Chem 20: 5928-35 (2012)

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



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus recombinant 3C-like protease expressed in Escherichia coli BL21(DE3) by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 3088-91 (2011)

More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11229
PNG
(AG7088 analogue 2a | CHEMBL20636 | N-[(5-methyliso...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C
Show InChI InChI=1S/C30H38FN5O7/c1-5-42-25(37)11-10-22(16-20-12-13-32-27(20)38)33-28(39)23(15-19-6-8-21(31)9-7-19)34-30(41)26(17(2)3)35-29(40)24-14-18(4)43-36-24/h6-11,14,17,20,22-23,26H,5,12-13,15-16H2,1-4H3,(H,32,38)(H,33,39)(H,34,41)(H,35,40)/b11-10+/t20-,22+,23-,26-/m0/s1
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>1.00E+4>-28.5n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...


J Med Chem 49: 4971-80 (2006)

More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM83922
PNG
(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21
Show InChI InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3
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1.12E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...


Bioorg Med Chem 20: 5928-35 (2012)

More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50423877
PNG
(DIHYDROTANSHINONE | Dihydrotanshinone I)
Show SMILES C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12
Show InChI InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1
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1.12E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...


Bioorg Med Chem 20: 5928-35 (2012)

More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM246525
PNG
(Corylifol A (6))
Show SMILES CC(C)=CCC\C(C)=C/Cc1cc(ccc1O)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C25H26O4/c1-16(2)5-4-6-17(3)7-8-19-13-18(9-12-23(19)27)22-15-29-24-14-20(26)10-11-21(24)25(22)28/h5,7,9-15,26-27H,4,6,8H2,1-3H3/b17-7-
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1.14E+4n/a 3.23E+4n/an/an/an/a8.0n/a



Gyeongsang National University



Assay Description
Reactions were performed in a total volume of 200 mL, which contained thefollowing components: 20mM Tris-buffer, pH 8.0, 10mM DTT, 30 mM Z-RLRGG-AMC,...


J Enzyme Inhib Med Chem 29: 59-63 (2014)

More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50055220
PNG
(1-Benzyl-2,3-dioxo-2,3-dihydro-1H-indole-5-carboxy...)
Show SMILES NC(=O)c1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C16H12N2O3/c17-15(20)11-6-7-13-12(8-11)14(19)16(21)18(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,20)
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1.26E+4n/an/an/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of SARS CoV 3C-like protease


J Med Chem 49: 3440-3 (2006)

More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM51317
PNG
(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12
Show InChI InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3
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1.37E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...


Bioorg Med Chem 20: 5928-35 (2012)

More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM246521
PNG
(Bavachinin (1))
Show SMILES COc1cc2OC(CC(=O)c2cc1CC=C(C)C)c1ccc(O)cc1
Show InChI InChI=1/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3
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1.84E+4n/a 3.84E+4n/an/an/an/a8.0n/a



Gyeongsang National University



Assay Description
Reactions were performed in a total volume of 200 mL, which contained thefollowing components: 20mM Tris-buffer, pH 8.0, 10mM DTT, 30 mM Z-RLRGG-AMC,...


J Enzyme Inhib Med Chem 29: 59-63 (2014)

More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50188383
PNG
(1-butyl-2,3-dioxoindoline-5-carboxamide | CHEMBL37...)
Show SMILES CCCCN1C(=O)C(=O)c2cc(ccc12)C(N)=O
Show InChI InChI=1S/C13H14N2O3/c1-2-3-6-15-10-5-4-8(12(14)17)7-9(10)11(16)13(15)18/h4-5,7H,2-3,6H2,1H3,(H2,14,17)
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1.91E+4n/an/an/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of SARS CoV 3C-like protease


J Med Chem 49: 3440-3 (2006)

More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50009219
PNG
(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Show SMILES CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O
Show InChI InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3
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2.15E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...


Bioorg Med Chem 20: 5928-35 (2012)

More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50391429
PNG
(CHEMBL215254)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21
Show InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3
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2.16E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...


Bioorg Med Chem 20: 5928-35 (2012)

More data for this
Ligand-Target Pair
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