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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)
BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCCN=C(N)N
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using Z-Leu-Leu-Arg-AMC as substrate after 30 mins by spectrofluorometry


Bioorg Med Chem 19: 7635-42 (2011)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCCN=C(N)N
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



University of Lisbon. Av. Prof. Gama Pinto

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using Z-Leu-Leu-Arg-AMC as substrate after 30 mins by fluorescence microplate reader analysis


Eur J Med Chem 69: 365-72 (2013)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50094931
PNG
(CHEMBL430641 | Oxirane-2,3-dicarboxylic acid monoe...)
Show SMILES CCOC(=O)C1OC1C(O)=O
Show InChI InChI=1S/C6H8O5/c1-2-10-6(9)4-3(11-4)5(7)8/h3-4H,2H2,1H3,(H,7,8)
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n/an/a 10.5n/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of papain.


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


(Carica papaya)
BDBM50303441
PNG
(9-(3,5-Difluorophenyl)-6-(ethylamino)-9H-purine-2-...)
Show SMILES CCNc1nc(nc2n(cnc12)-c1cc(F)cc(F)c1)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-18-13-12-14(21-11(6-17)20-13)22(7-19-12)10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,18,20,21)
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n/an/a 33.1n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of papaya papain


J Med Chem 53: 52-60 (2010)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50303420
PNG
(6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...)
Show SMILES CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
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n/an/a 44.7n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of papaya papain


J Med Chem 53: 52-60 (2010)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCCN=C(N)N
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Federal University of Alfenas

Curated by ChEMBL


Assay Description
Inhibition of Carica papaya papain by spectrofluorimetry


Eur J Med Chem 44: 1230-9 (2009)

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


(Human SARS coronavirus (SARS-CoV))
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 Alberta

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease


J Med Chem 50: 1850-64 (2007)

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-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
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 Alberta

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease


J Med Chem 50: 1850-64 (2007)

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


(Human SARS coronavirus (SARS-CoV))
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 Alberta

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease


J Med Chem 50: 1850-64 (2007)

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


(Human SARS coronavirus (SARS-CoV))
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 Alberta

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease


J Med Chem 50: 1850-64 (2007)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50366497
PNG
(CHEMBL1790164)
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=O
Show InChI InChI=1S/C29H40N6O5/c1-3-20(2)25(27(38)33-23(18-36)17-21-11-6-4-7-12-21)35-26(37)24(15-10-16-32-28(30)31)34-29(39)40-19-22-13-8-5-9-14-22/h4-9,11-14,18,20,23-25H,3,10,15-17,19H2,1-2H3,(H,33,38)(H,34,39)(H,35,37)(H4,30,31,32)/t20-,23-,24-,25-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Institute for Drug Research

Curated by ChEMBL


Assay Description
Ability to inhibit papain was evaluated by amidolytic method using fluorogenic or chromogenic substrates


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50208941
PNG
(5-chloropyridin-3-yl benzo[b]thiophene-2-carboxyla...)
Show SMILES Clc1cncc(OC(=O)c2cc3ccccc3s2)c1
Show InChI InChI=1S/C14H8ClNO2S/c15-10-6-11(8-16-7-10)18-14(17)13-5-9-3-1-2-4-12(9)19-13/h1-8H
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n/an/a 95n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease


J Med Chem 50: 1850-64 (2007)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50070495
PNG
(CHEMBL290218 | [(S)-1-((S)-1-Formyl-4-guanidino-bu...)
Show SMILES CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C20H31N5O4/c1-14(2)13-29-20(28)25-17(11-15-7-4-3-5-8-15)18(27)24-16(12-26)9-6-10-23-19(21)22/h3-5,7-8,12,14,16-17H,6,9-11,13H2,1-2H3,(H,24,27)(H,25,28)(H4,21,22,23)/t16-,17-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Institute for Drug Research

Curated by ChEMBL


Assay Description
Ability to inhibit papain was evaluated by amidolytic method using fluorogenic or chromogenic substrates


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50208943
PNG
(5-chloropyridin-3-yl benzofuran-2-carboxylate | CH...)
Show SMILES Clc1cncc(OC(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C14H8ClNO3/c15-10-6-11(8-16-7-10)18-14(17)13-5-9-3-1-2-4-12(9)19-13/h1-8H
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n/an/a 170n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease


J Med Chem 50: 1850-64 (2007)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50094933
PNG
((S)-Thiirane-2-carboxylic acid methyl ester | CHEM...)
Show SMILES COC(=O)[C@H]1CS1
Show InChI InChI=1S/C4H6O2S/c1-6-4(5)3-2-7-3/h3H,2H2,1H3/t3-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of papain.


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


(Carica papaya)
BDBM50094934
PNG
(CHEMBL329821 | Oxirane-2,3-dicarboxylic acid dieth...)
Show SMILES CCOC(=O)C1OC1C(=O)OCC
Show InChI InChI=1S/C8H12O5/c1-3-11-7(9)5-6(13-5)8(10)12-4-2/h5-6H,3-4H2,1-2H3
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n/an/a 207n/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of papain.


Citation and Details
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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n/an/a 220n/an/an/an/an/an/a



Radboud University Nijmegen

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry


Bioorg Med Chem 22: 5593-603 (2014)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50095489
PNG
(CHEMBL275080 | N-(1-Cyano-pyrrolidin-3-yl)-benzene...)
Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccccc1
Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-6-10(8-14)13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2
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n/an/a 230n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against papain at a pH 5.5


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


(Human SARS coronavirus (SARS-CoV))
BDBM50208938
PNG
(5-chloropyridin-3-yl thiazole-4-carboxylate | 5-ch...)
Show SMILES Clc1cncc(OC(=O)c2cscn2)c1
Show InChI InChI=1S/C9H5ClN2O2S/c10-6-1-7(3-11-2-6)14-9(13)8-4-15-5-12-8/h1-5H
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n/an/a 270n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease


J Med Chem 50: 1850-64 (2007)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50048077
PNG
(CHEMBL3357470)
Show SMILES [N-]=[N+]=NCc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N
Show InChI InChI=1/C19H18N6O2/c20-10-11-22-19(27)17(12-14-4-2-1-3-5-14)24-18(26)16-8-6-15(7-9-16)13-23-25-21/h1-9,17H,11-13H2,(H,22,27)(H,24,26)/t17-/s2
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n/an/a 270n/an/an/an/an/an/a



Radboud University Nijmegen

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry


Bioorg Med Chem 22: 5593-603 (2014)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50048079
PNG
(CHEMBL3357955)
Show SMILES Oc1ccc(C[C@H](NC(=O)c2ccc(CN=[N+]=[N-])cc2)C(=O)NCC#N)cc1
Show InChI InChI=1/C19H18N6O3/c20-9-10-22-19(28)17(11-13-3-7-16(26)8-4-13)24-18(27)15-5-1-14(2-6-15)12-23-25-21/h1-8,17,26H,10-12H2,(H,22,28)(H,24,27)/t17-/s2
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n/an/a 280n/an/an/an/an/an/a



Radboud University Nijmegen

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry


Bioorg Med Chem 22: 5593-603 (2014)

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


(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/a7.025



National Defense Medical Center



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 49: 5154-61 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50208944
PNG
(5-chloropyridin-3-yl 3-methoxybenzoate | 5-chlorop...)
Show SMILES COc1cccc(c1)C(=O)Oc1cncc(Cl)c1
Show InChI InChI=1S/C13H10ClNO3/c1-17-11-4-2-3-9(5-11)13(16)18-12-6-10(14)7-15-8-12/h2-8H,1H3
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n/an/a 340n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease


J Med Chem 50: 1850-64 (2007)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50048070
PNG
(CHEMBL3357964)
Show SMILES NCCOCCOCCNC(=O)OC[C@@H]1[C@@H]2CCc3nnn(Cc4ccc(cc4)C(=O)N[C@@H](Cc4ccccc4)C(=O)NCC#N)c3CC[C@H]12
Show InChI InChI=1/C36H46N8O6/c37-14-16-39-35(46)32(22-25-4-2-1-3-5-25)41-34(45)27-8-6-26(7-9-27)23-44-33-13-11-29-28(10-12-31(33)42-43-44)30(29)24-50-36(47)40-17-19-49-21-20-48-18-15-38/h1-9,28-30,32H,10-13,15-24,38H2,(H,39,46)(H,40,47)(H,41,45)/t28-,29+,30-,32+/s2
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n/an/a 350n/an/an/an/an/an/a



Radboud University Nijmegen

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry


Bioorg Med Chem 22: 5593-603 (2014)

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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n/an/a 360n/an/an/an/an/an/a



Radboud University Nijmegen

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry


Bioorg Med Chem 22: 5593-603 (2014)

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


(Human SARS coronavirus (SARS-CoV))
BDBM50055218
PNG
(1-(2-naphthlmethyl) isatin-5-carboxamide | 1-Napht...)
Show SMILES NC(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24)
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n/an/a 370n/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


(Carica papaya)
BDBM50303417
PNG
(4-(Cyclopentylamino)-6-(3,5-difluorophenylamino)-1...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H14F2N6/c16-9-5-10(17)7-12(6-9)20-15-22-13(8-18)21-14(23-15)19-11-3-1-2-4-11/h5-7,11H,1-4H2,(H2,19,20,21,22,23)
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n/an/a 389n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of papaya papain


J Med Chem 53: 52-60 (2010)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50303410
PNG
(4-(3-chlorophenylamino)-6-(cyclopentylamino)-1,3,5...)
Show SMILES Clc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H15ClN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22)
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n/an/a 513n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of papaya papain


J Med Chem 53: 52-60 (2010)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50094932
PNG
((S)-Thiirane-2-carboxylic acid ethyl ester | CHEMB...)
Show SMILES CCOC(=O)[C@H]1CS1
Show InChI InChI=1S/C5H8O2S/c1-2-7-5(6)4-3-8-4/h4H,2-3H2,1H3/t4-/m1/s1
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n/an/a 570n/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of papain.


Citation and Details
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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n/an/a 700n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of SARS-CoV PLpro deubiququitination expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence a...


Bioorg Med Chem 20: 5928-35 (2012)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50048080
PNG
(CHEMBL3357956)
Show SMILES [N-]=[N+]=NCc1ccc(cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCC#N
Show InChI InChI=1/C20H20N6O2/c21-12-13-23-20(28)18(11-8-15-4-2-1-3-5-15)25-19(27)17-9-6-16(7-10-17)14-24-26-22/h1-7,9-10,18H,8,11,13-14H2,(H,23,28)(H,25,27)/t18-/s2
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n/an/a 710n/an/an/an/an/an/a



Radboud University Nijmegen

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry


Bioorg Med Chem 22: 5593-603 (2014)

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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n/an/a 800n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 30 mins by fluoresc...


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...)
BDBM11293
PNG
(4-({4-[(2,3,3-trichloroprop-2-enoyl)oxy]benzene}su...)
Show SMILES ClC(Cl)=C(Cl)C(=O)Oc1ccc(cc1)S(=O)(=O)c1ccc(OC(=O)C(Cl)=C(Cl)Cl)cc1
Show InChI InChI=1S/C18H8Cl6O6S/c19-13(15(21)22)17(25)29-9-1-5-11(6-2-9)31(27,28)12-7-3-10(4-8-12)30-18(26)14(20)16(23)24/h1-8H
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n/an/a 900n/an/an/an/a7.025



National Defense Medical Center



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 49: 5154-61 (2006)

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


(Human SARS coronavirus (SARS-CoV))
BDBM50167307
PNG
(1-Benzo[b]thiophen-2-ylmethyl-5-iodo-1H-indole-2,3...)
Show SMILES Ic1ccc2N(Cc3cc4ccccc4s3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C17H10INO2S/c18-11-5-6-14-13(8-11)16(20)17(21)19(14)9-12-7-10-3-1-2-4-15(10)22-12/h1-8H,9H2
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n/an/a 950n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against SARS coronavirus main protease (SARS CoV 3C-like protease)


Bioorg Med Chem Lett 15: 3058-62 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50048081
PNG
(CHEMBL3357957)
Show SMILES Oc1ccc(CC[C@H](NC(=O)c2ccc(CN=[N+]=[N-])cc2)C(=O)NCC#N)cc1
Show InChI InChI=1/C20H20N6O3/c21-11-12-23-20(29)18(10-5-14-3-8-17(27)9-4-14)25-19(28)16-6-1-15(2-7-16)13-24-26-22/h1-4,6-9,18,27H,5,10,12-13H2,(H,23,29)(H,25,28)/t18-/s2
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n/an/a 980n/an/an/an/an/an/a



Radboud University Nijmegen

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry


Bioorg Med Chem 22: 5593-603 (2014)

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


(Human SARS coronavirus (SARS-CoV))
BDBM50167309
PNG
(1-Benzo[b]thiophen-2-ylmethyl-7-bromo-1H-indole-2,...)
Show SMILES Brc1cccc2C(=O)C(=O)N(Cc3cc4ccccc4s3)c12
Show InChI InChI=1S/C17H10BrNO2S/c18-13-6-3-5-12-15(13)19(17(21)16(12)20)9-11-8-10-4-1-2-7-14(10)22-11/h1-8H,9H2
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n/an/a 980n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration SARS coronavirus main protease (SARS CoV 3C-like protease)


Bioorg Med Chem Lett 15: 3058-62 (2005)

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
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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n/an/a 1.20E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of SARS-CoV PLpro deubiququitination expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence a...


Bioorg Med Chem 20: 5928-35 (2012)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50048082
PNG
(CHEMBL3357958)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccc(CN=[N+]=[N-])cc1)C(=O)NCC#N
Show InChI InChI=1/C22H24N6O2/c1-15(2)13-20(22(30)25-12-11-23)27-21(29)19-9-7-18(8-10-19)17-5-3-16(4-6-17)14-26-28-24/h3-10,15,20H,12-14H2,1-2H3,(H,25,30)(H,27,29)/t20-/s2
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n/an/a 1.58E+3n/an/an/an/an/an/a



Radboud University Nijmegen

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry


Bioorg Med Chem 22: 5593-603 (2014)

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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n/an/a 1.60E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 30 mins by fluoresc...


Bioorg Med Chem 20: 5928-35 (2012)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50378032
PNG
(CHEMBL452483 | Guttiferone A)
Show SMILES CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccc(O)c(O)c3)C(=O)[C@]1(CC=C(C)C)C2=O
Show InChI InChI=1S/C38H50O6/c1-23(2)11-10-18-36(9)28(14-12-24(3)4)22-37(19-16-25(5)6)33(42)31(32(41)27-13-15-29(39)30(40)21-27)34(43)38(36,35(37)44)20-17-26(7)8/h11-13,15-17,21,28,31,39-40H,10,14,18-20,22H2,1-9H3/t28-,31?,36+,37-,38+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Federal University of Alfenas

Curated by ChEMBL


Assay Description
Inhibition of Carica papaya papain by spectrofluorimetry


Eur J Med Chem 44: 1230-9 (2009)

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


(Human SARS coronavirus (SARS-CoV))
BDBM50167306
PNG
(1-Benzo[b]thiophen-2-ylmethyl-7-nitro-1H-indole-2,...)
Show SMILES [O-][N+](=O)c1cccc2C(=O)C(=O)N(Cc3cc4ccccc4s3)c12
Show InChI InChI=1S/C17H10N2O4S/c20-16-12-5-3-6-13(19(22)23)15(12)18(17(16)21)9-11-8-10-4-1-2-7-14(10)24-11/h1-8H,9H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against SARS coronavirus main protease (SARS CoV 3C-like protease)


Bioorg Med Chem Lett 15: 3058-62 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50048072
PNG
(CHEMBL3357962)
Show SMILES CC(C)C[C@H](NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N
Show InChI InChI=1/C19H25N7O3/c1-13(2)10-15(24-17(27)12-23-26-21)19(29)25-16(18(28)22-9-8-20)11-14-6-4-3-5-7-14/h3-7,13,15-16H,9-12H2,1-2H3,(H,22,28)(H,24,27)(H,25,29)/t15-,16-/s2
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n/an/a 2.25E+3n/an/an/an/an/an/a



Radboud University Nijmegen

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry


Bioorg Med Chem 22: 5593-603 (2014)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50048074
PNG
(CHEMBL3357468)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(CN=[N+]=[N-])cc1)C(=O)NCC#N
Show InChI InChI=1/C16H20N6O2/c1-11(2)9-14(16(24)19-8-7-17)21-15(23)13-5-3-12(4-6-13)10-20-22-18/h3-6,11,14H,8-10H2,1-2H3,(H,19,24)(H,21,23)/t14-/s2
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n/an/a 2.27E+3n/an/an/an/an/an/a



Radboud University Nijmegen

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry


Bioorg Med Chem 22: 5593-603 (2014)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297254
PNG
(3-[2-(3,4-Dihydroxy-phenyl)-3,5-dihydroxy-4-oxo-4H...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3cccc(c3)C#N)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C23H15NO7/c24-10-12-2-1-3-13(6-12)11-30-15-8-18(27)20-19(9-15)31-23(22(29)21(20)28)14-4-5-16(25)17(26)7-14/h1-9,25-27,29H,11H2
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n/an/a 2.70E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 4538-41 (2009)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50048068
PNG
(CHEMBL3357961)
Show SMILES CC(C)C[C@H](NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)NCC#N
Show InChI InChI=1/C16H27N7O3/c1-10(2)7-12(15(25)19-6-5-17)22-16(26)13(8-11(3)4)21-14(24)9-20-23-18/h10-13H,6-9H2,1-4H3,(H,19,25)(H,21,24)(H,22,26)/t12-,13-/s2
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n/an/a 2.71E+3n/an/an/an/an/an/a



Radboud University Nijmegen

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry


Bioorg Med Chem 22: 5593-603 (2014)

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


(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/a7.025



National Tsing Hua 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 49: 3485-95 (2006)

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


(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



National Defense Medical Center



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 49: 5154-61 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Papain


(Carica papaya)
BDBM50048073
PNG
(CHEMBL3357963)
Show SMILES [N-]=[N+]=NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N
Show InChI InChI=1/C22H23N7O3/c23-11-12-25-21(31)18(13-16-7-3-1-4-8-16)28-22(32)19(27-20(30)15-26-29-24)14-17-9-5-2-6-10-17/h1-10,18-19H,12-15H2,(H,25,31)(H,27,30)(H,28,32)/t18-,19-/s2
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n/an/a 3.97E+3n/an/an/an/an/an/a



Radboud University Nijmegen

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry


Bioorg Med Chem 22: 5593-603 (2014)

More data for this
Ligand-Target Pair
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