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Compile Data Set for Download or QSAR

Found 470 hits Enz. Inhib. hit(s) with Target = 'Papain'   
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
Papain


(Carica papaya)
BDBM50409589
PNG
(CHEMBL2028920)
Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C43H59N7O9/c1-9-27(6)36(40(54)47-35(26(4)5)41(55)58-8)48-42(56)50-49-39(53)34(23-31-20-15-19-30-18-13-14-21-32(30)31)46-38(52)33(22-25(2)3)45-37(51)28(7)44-43(57)59-24-29-16-11-10-12-17-29/h10-21,25-28,33-36H,9,22-24H2,1-8H3,(H,44,57)(H,45,51)(H,46,52)(H,47,54)(H,49,53)(H2,48,50,56)/t27-,28-,33-,34-,35-,36-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409598
PNG
(CHEMBL2028910)
Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C39H57N7O9/c1-9-25(6)32(36(50)43-31(24(4)5)37(51)54-8)44-38(52)46-45-35(49)30(21-27-16-12-10-13-17-27)42-34(48)29(20-23(2)3)41-33(47)26(7)40-39(53)55-22-28-18-14-11-15-19-28/h10-19,23-26,29-32H,9,20-22H2,1-8H3,(H,40,53)(H,41,47)(H,42,48)(H,43,50)(H,45,49)(H2,44,46,52)/t25-,26-,29-,30-,31-,32-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409597
PNG
(CHEMBL2028912)
Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C40H59N7O10/c1-10-25(6)33(37(51)44-32(24(4)5)38(52)56-9)45-39(53)47-46-36(50)31(21-27-16-18-29(55-8)19-17-27)43-35(49)30(20-23(2)3)42-34(48)26(7)41-40(54)57-22-28-14-12-11-13-15-28/h11-19,23-26,30-33H,10,20-22H2,1-9H3,(H,41,54)(H,42,48)(H,43,49)(H,44,51)(H,46,50)(H2,45,47,53)/t25-,26-,30-,31-,32-,33-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409590
PNG
(CHEMBL2028909)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NNC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C34H57N11O8/c1-18(2)16-24(40-28(47)23(14-11-15-38-32(36)37)41-34(52)53-17-22-12-9-8-10-13-22)29(48)42-26(20(5)6)31(50)44-45-33(51)43-25(19(3)4)30(49)39-21(7)27(35)46/h8-10,12-13,18-21,23-26H,11,14-17H2,1-7H3,(H2,35,46)(H,39,49)(H,40,47)(H,41,52)(H,42,48)(H,44,50)(H4,36,37,38)(H2,43,45,51)/t21-,23-,24-,25-,26-/m0/s1
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0.560n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409583
PNG
(CHEMBL2028921)
Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C36H55N9O9/c1-9-22(6)29(33(49)42-28(21(4)5)34(50)53-8)43-35(51)45-44-32(48)27(16-25-17-37-19-38-25)41-31(47)26(15-20(2)3)40-30(46)23(7)39-36(52)54-18-24-13-11-10-12-14-24/h10-14,17,19-23,26-29H,9,15-16,18H2,1-8H3,(H,37,38)(H,39,52)(H,40,46)(H,41,47)(H,42,49)(H,44,48)(H2,43,45,51)/t22-,23-,26-,27-,28-,29-/m0/s1
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0.580n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409586
PNG
(CHEMBL2028907)
Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C38H64N10O9/c1-10-24(8)30(33(51)45-29(23(6)7)35(53)56-9)46-37(54)48-47-34(52)28(22(4)5)44-32(50)27(19-21(2)3)42-31(49)26(17-14-18-41-36(39)40)43-38(55)57-20-25-15-12-11-13-16-25/h11-13,15-16,21-24,26-30H,10,14,17-20H2,1-9H3,(H,42,49)(H,43,55)(H,44,50)(H,45,51)(H,47,52)(H4,39,40,41)(H2,46,48,54)/t24-,26-,27-,28-,29-,30-/m0/s1
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0.770n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409592
PNG
(CHEMBL2028908)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NNC(=O)N[C@@H](C)C(=O)NCC(N)=O
Show InChI InChI=1S/C31H51N11O8/c1-17(2)14-22(27(46)40-24(18(3)4)28(47)41-42-30(48)37-19(5)25(44)36-15-23(32)43)38-26(45)21(12-9-13-35-29(33)34)39-31(49)50-16-20-10-7-6-8-11-20/h6-8,10-11,17-19,21-22,24H,9,12-16H2,1-5H3,(H2,32,43)(H,36,44)(H,38,45)(H,39,49)(H,40,46)(H,41,47)(H4,33,34,35)(H2,37,42,48)/t19-,21-,22-,24-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409587
PNG
(CHEMBL2028911)
Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C36H59N7O9/c1-11-22(7)28(32(46)39-27(21(5)6)34(48)51-10)41-35(49)43-42-33(47)29(23(8)12-2)40-31(45)26(18-20(3)4)38-30(44)24(9)37-36(50)52-19-25-16-14-13-15-17-25/h13-17,20-24,26-29H,11-12,18-19H2,1-10H3,(H,37,50)(H,38,44)(H,39,46)(H,40,45)(H,42,47)(H2,41,43,49)/t22-,23-,24-,26-,27-,28-,29-/m0/s1
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0.950n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409588
PNG
(CHEMBL2028919)
Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H64N8O8/c1-10-28(8)35(40(55)47-34(27(6)7)39(54)43-23-30-17-13-11-14-18-30)48-41(56)50-49-38(53)33(22-26(4)5)46-37(52)32(21-25(2)3)45-36(51)29(9)44-42(57)58-24-31-19-15-12-16-20-31/h11-20,25-29,32-35H,10,21-24H2,1-9H3,(H,43,54)(H,44,57)(H,45,51)(H,46,52)(H,47,55)(H,49,53)(H2,48,50,56)/t28-,29-,32-,33-,34-,35-/m0/s1
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1.35n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50304793
PNG
((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-1-ox...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
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PubMed
3.90n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Carica papaya papain by microtiter plate spectrofluorimetry


Bioorg Med Chem Lett 20: 252-5 (2010)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50304796
PNG
((S)-benzyl 1-(2-cyano-1-methyl-2-phenethylhydrazin...)
Show SMILES CN(N(CCc1ccccc1)C#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H28N4O3/c1-30(31(21-28)18-17-22-11-5-2-6-12-22)26(32)25(19-23-13-7-3-8-14-23)29-27(33)34-20-24-15-9-4-10-16-24/h2-16,25H,17-20H2,1H3,(H,29,33)/t25-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Carica papaya papain by microtiter plate spectrofluorimetry


Bioorg Med Chem Lett 20: 252-5 (2010)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50118425
PNG
(CHEMBL263061 | Z-leu-Val-Agly-Val-OBzl)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(C(C)C)C(=O)NNC(=O)NC(C(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C32H45N5O7/c1-20(2)17-25(33-32(42)44-19-24-15-11-8-12-16-24)28(38)34-26(21(3)4)29(39)36-37-31(41)35-27(22(5)6)30(40)43-18-23-13-9-7-10-14-23/h7-16,20-22,25-27H,17-19H2,1-6H3,(H,33,42)(H,34,38)(H,36,39)(H2,35,37,41)
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6.70n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59242
PNG
(Benzotriazole ester, 8)
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
Papain


(Carica papaya)
BDBM50304794
PNG
((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-4-me...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H24N4O3/c1-13(2)10-15(16(22)21(4)20(3)12-18)19-17(23)24-11-14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,23)/t15-/m0/s1
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8.20n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Carica papaya papain by microtiter plate spectrofluorimetry


Bioorg Med Chem Lett 20: 252-5 (2010)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50304797
PNG
((S)-benzyl 1-(2-cyano-1-methyl-2-pentylhydrazinyl)...)
Show SMILES CCCCCN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H30N4O3/c1-3-4-11-16-28(19-25)27(2)23(29)22(17-20-12-7-5-8-13-20)26-24(30)31-18-21-14-9-6-10-15-21/h5-10,12-15,22H,3-4,11,16-18H2,1-2H3,(H,26,30)/t22-/m0/s1
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10n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Carica papaya papain by microtiter plate spectrofluorimetry


Bioorg Med Chem Lett 20: 252-5 (2010)

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
Papain


(Carica papaya)
BDBM20124
PNG
(dipeptidyl aldehyde, 52 | tert-butyl N-[(1S)-1-[(2...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC=O
Show InChI InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-13(14(20)17-9-10-19)11-12-7-5-4-6-8-12/h4-8,10,13H,9,11H2,1-3H3,(H,17,20)(H,18,21)/t13-/m0/s1
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15n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20120
PNG
((2S)-N-(cyanomethyl)-3-phenyl-2-[(4-phenylphenyl)f...)
Show SMILES O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H21N3O2/c25-15-16-26-24(29)22(17-18-7-3-1-4-8-18)27-23(28)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14,22H,16-17H2,(H,26,29)(H,27,28)/t22-/m0/s1
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16n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20114
PNG
(dipeptide-derived nitrile, 35 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C22H25N3O3/c1-22(2,3)28-21(27)25-19(20(26)24-14-13-23)15-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,19H,14-15H2,1-3H3,(H,24,26)(H,25,27)/t19-/m0/s1
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16n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409584
PNG
(CHEMBL2028906)
Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC
Show InChI InChI=1S/C49H74N12O10/c1-10-30(8)40(44(65)58-38(28(4)5)43(64)55-37(46(67)70-9)24-32-25-53-34-20-15-14-19-33(32)34)59-48(68)61-60-45(66)39(29(6)7)57-42(63)36(23-27(2)3)54-41(62)35(21-16-22-52-47(50)51)56-49(69)71-26-31-17-12-11-13-18-31/h11-15,17-20,25,27-30,35-40,53H,10,16,21-24,26H2,1-9H3,(H,54,62)(H,55,64)(H,56,69)(H,57,63)(H,58,65)(H,60,66)(H4,50,51,52)(H2,59,61,68)/t30-,35-,36-,37-,38-,39-,40-/m0/s1
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17n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
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
Papain


(Carica papaya)
BDBM50409599
PNG
(CHEMBL2028925)
Show SMILES CCOC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C
Show InChI InChI=1S/C19H28N4O5/c1-5-28-18(26)16(12(2)3)21-19(27)23-22-17(25)15(20-13(4)24)11-14-9-7-6-8-10-14/h6-10,12,15-16H,5,11H2,1-4H3,(H,20,24)(H,22,25)(H2,21,23,27)/t15-,16-/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20113
PNG
(dipeptide-derived nitrile, 34 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O3/c1-20(2,3)26-19(25)23-17(18(24)22-11-10-21)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12,17H,11,13H2,1-3H3,(H,22,24)(H,23,25)/t17-/m0/s1
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21n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409594
PNG
(CHEMBL2028924)
Show SMILES CC(C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H30N4O5/c1-16(2)21(23(31)33-15-19-12-8-5-9-13-19)26-24(32)28-27-22(30)20(25-17(3)29)14-18-10-6-4-7-11-18/h4-13,16,20-21H,14-15H2,1-3H3,(H,25,29)(H,27,30)(H2,26,28,32)/t20-,21-/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
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
Papain


(Carica papaya)
BDBM50364010
PNG
(CHEMBL1950263)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=NNC(N)=O
Show InChI InChI=1S/C30H43N9O5/c1-3-20(2)25(27(41)36-23(18-35-39-29(33)42)17-21-11-6-4-7-12-21)38-26(40)24(15-10-16-34-28(31)32)37-30(43)44-19-22-13-8-5-9-14-22/h4-9,11-14,18,20,23-25H,3,10,15-17,19H2,1-2H3,(H,36,41)(H,37,43)(H,38,40)(H4,31,32,34)(H3,33,39,42)/t20-,23-,24-,25-/m0/s1
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23n/an/an/an/an/an/an/an/a



National Chemical Laboratory (CSIR-NCL)

Curated by ChEMBL


Assay Description
Inhibition of papaya papain


Bioorg Med Chem 19: 7129-35 (2011)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50118412
PNG
(Boc-Agly-Val-Agly-OEt | CHEMBL135413)
Show SMILES CCOC(=O)NNC(=O)C(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C19H36N4O6/c1-9-28-18(27)23-22-16(25)14(12(4)5)21-15(24)13(10-11(2)3)20-17(26)29-19(6,7)8/h11-14H,9-10H2,1-8H3,(H,20,26)(H,21,24)(H,22,25)(H,23,27)
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24n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409596
PNG
(CHEMBL2028923)
Show SMILES CCCCNC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C
Show InChI InChI=1S/C21H33N5O4/c1-5-6-12-22-20(29)18(14(2)3)24-21(30)26-25-19(28)17(23-15(4)27)13-16-10-8-7-9-11-16/h7-11,14,17-18H,5-6,12-13H2,1-4H3,(H,22,29)(H,23,27)(H,25,28)(H2,24,26,30)/t17-,18-/m0/s1
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28n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20107
PNG
(dipeptide-derived nitrile, 28 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NCC#N
Show InChI InChI=1S/C16H20BrN3O3/c1-16(2,3)23-15(22)20-13(14(21)19-9-8-18)10-11-4-6-12(17)7-5-11/h4-7,13H,9-10H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1
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29 -43.0n/an/an/an/an/a6.525



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

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
Papain


(Carica papaya)
BDBM50409591
PNG
(CHEMBL2028922)
Show SMILES CC(C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H31N5O4/c1-16(2)21(23(32)25-15-19-12-8-5-9-13-19)27-24(33)29-28-22(31)20(26-17(3)30)14-18-10-6-4-7-11-18/h4-13,16,20-21H,14-15H2,1-3H3,(H,25,32)(H,26,30)(H,28,31)(H2,27,29,33)/t20-,21-/m0/s1
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30n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409582
PNG
(CHEMBL2028926)
Show SMILES CNC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C
Show InChI InChI=1S/C18H27N5O4/c1-11(2)15(17(26)19-4)21-18(27)23-22-16(25)14(20-12(3)24)10-13-8-6-5-7-9-13/h5-9,11,14-15H,10H2,1-4H3,(H,19,26)(H,20,24)(H,22,25)(H2,21,23,27)/t14-,15-/m0/s1
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32n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
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
Papain


(Carica papaya)
BDBM50304795
PNG
((S)-benzyl 1-(2-benzyl-2-cyano-1-methylhydrazinyl)...)
Show SMILES CN(N(Cc1ccccc1)C#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H26N4O3/c1-29(30(20-27)18-22-13-7-3-8-14-22)25(31)24(17-21-11-5-2-6-12-21)28-26(32)33-19-23-15-9-4-10-16-23/h2-16,24H,17-19H2,1H3,(H,28,32)/t24-/m0/s1
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42n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Carica papaya papain by microtiter plate spectrofluorimetry


Bioorg Med Chem Lett 20: 252-5 (2010)

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
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
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
Papain


(Carica papaya)
BDBM50409585
PNG
(CHEMBL2028918)
Show SMILES CCCCOC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C
Show InChI InChI=1S/C21H32N4O5/c1-5-6-12-30-20(28)18(14(2)3)23-21(29)25-24-19(27)17(22-15(4)26)13-16-10-8-7-9-11-16/h7-11,14,17-18H,5-6,12-13H2,1-4H3,(H,22,26)(H,24,27)(H2,23,25,29)/t17-,18-/m0/s1
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59n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409595
PNG
(CHEMBL2028917)
Show SMILES COC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C
Show InChI InChI=1S/C18H26N4O5/c1-11(2)15(17(25)27-4)20-18(26)22-21-16(24)14(19-12(3)23)10-13-8-6-5-7-9-13/h5-9,11,14-15H,10H2,1-4H3,(H,19,23)(H,21,24)(H2,20,22,26)/t14-,15-/m0/s1
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61n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20119
PNG
((2S)-N-(cyanomethyl)-3-phenyl-2-(phenylformamido)p...)
Show SMILES O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C18H17N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,12-13H2,(H,20,23)(H,21,22)/t16-/m0/s1
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62n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

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
Papain


(Carica papaya)
BDBM50409593
PNG
(CHEMBL2028913)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C45H67N13O9/c1-24(2)20-33(52-38(60)32(18-13-19-49-43(47)48)54-45(66)67-23-28-14-9-8-10-15-28)39(61)56-36(26(5)6)42(64)57-58-44(65)53-34(21-29-22-50-31-17-12-11-16-30(29)31)40(62)55-35(25(3)4)41(63)51-27(7)37(46)59/h8-12,14-17,22,24-27,32-36,50H,13,18-21,23H2,1-7H3,(H2,46,59)(H,51,63)(H,52,60)(H,54,66)(H,55,62)(H,56,61)(H,57,64)(H4,47,48,49)(H2,53,58,65)/t27-,32-,33-,34-,35-,36-/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20098
PNG
(dipeptide-derived nitrile, 19 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C14H19N3O3S/c1-14(2,3)20-13(19)17-11(12(18)16-7-6-15)9-10-5-4-8-21-10/h4-5,8,11H,7,9H2,1-3H3,(H,16,18)(H,17,19)/t11-/m0/s1
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190 -38.4n/an/an/an/an/a6.525



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20102
PNG
(dipeptide-derived nitrile, 23 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC#N
Show InChI InChI=1S/C16H21N3O4/c1-16(2,3)23-15(22)19-13(14(21)18-9-8-17)10-11-4-6-12(20)7-5-11/h4-7,13,20H,9-10H2,1-3H3,(H,18,21)(H,19,22)/t13-/m0/s1
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190 -38.4n/an/an/an/an/a6.525



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM92334
PNG
(Dipeptide nitrile, 7)
Show SMILES CSCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C#N
Show InChI InChI=1S/C19H27N3O3S/c1-19(2,3)25-18(24)22-16(12-14-8-6-5-7-9-14)17(23)21-15(13-20)10-11-26-4/h5-9,15-16H,10-12H2,1-4H3,(H,21,23)(H,22,24)/t15?,16-/m0/s1
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250 -37.7n/an/an/an/an/a6.525



Rheinische Friedrich-Wilhelms-Universitat



Assay Description
Papain enzyme activities were determined by spectrophotometric detection of the product p-nitroaniline at 25 C in a a multicell holder (parallel meas...


J Enzyme Inhib Med Chem 24: 1245-52 (2009)

More data for this
Ligand-Target Pair
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