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Compile Data Set for Download or QSAR

Found 476 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)
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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Article
PubMed
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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
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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Article
PubMed
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)


Article DOI: 10.1074/jbc.M807947200
BindingDB Entry DOI: 10.7270/Q2SN07KT
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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Article
PubMed
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)


Article DOI: 10.1074/jbc.M807947200
BindingDB Entry DOI: 10.7270/Q2SN07KT
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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Article
PubMed
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)


Article DOI: 10.1074/jbc.M807947200
BindingDB Entry DOI: 10.7270/Q2SN07KT
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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Article
PubMed
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)


Article DOI: 10.1074/jbc.M807947200
BindingDB Entry DOI: 10.7270/Q2SN07KT
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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PubMed
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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
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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PubMed
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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
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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Article
PubMed
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)


Article DOI: 10.3109/14756360902797328
BindingDB Entry DOI: 10.7270/Q2Q23XVB
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20095
PNG
(dipeptide-derived nitrile, 16 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C16H21N3O3/c1-16(2,3)22-15(21)19-13(14(20)18-10-9-17)11-12-7-5-4-6-8-12/h4-8,13H,10-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1
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Article
PubMed
260 -37.6n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20103
PNG
(dipeptide-derived nitrile, 24 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCC#N
Show InChI InChI=1S/C16H20FN3O3/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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PubMed
270 -37.5n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20108
PNG
(dipeptide-derived nitrile, 29 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NCC#N
Show InChI InChI=1S/C16H20BrN3O3/c1-16(2,3)23-15(22)20-13(14(21)19-8-7-18)10-11-5-4-6-12(17)9-11/h4-6,9,13H,8,10H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1
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PubMed
330 -37.0n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20096
PNG
(CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)NCC#N)OCc1ccccc1
Show InChI InChI=1S/C19H19N3O3/c20-11-12-21-18(23)17(13-15-7-3-1-4-8-15)22-19(24)25-14-16-9-5-2-6-10-16/h1-10,17H,12-14H2,(H,21,23)(H,22,24)/t17-/m0/s1
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PubMed
360 -36.8n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20105
PNG
(dipeptide-derived nitrile, 26 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1F)C(=O)NCC#N
Show InChI InChI=1S/C16H20FN3O3/c1-16(2,3)23-15(22)20-13(14(21)19-9-8-18)10-11-6-4-5-7-12(11)17/h4-7,13H,9-10H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1
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PubMed
400 -36.5n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20109
PNG
(dipeptide-derived nitrile, 30 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NCC#N
Show InChI InChI=1S/C16H20BrN3O3/c1-16(2,3)23-15(22)20-13(14(21)19-9-8-18)10-11-6-4-5-7-12(11)17/h4-7,13H,9-10H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1
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PubMed
460 -36.2n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20104
PNG
(dipeptide-derived nitrile, 25 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NCC#N
Show InChI InChI=1S/C16H20FN3O3/c1-16(2,3)23-15(22)20-13(14(21)19-8-7-18)10-11-5-4-6-12(17)9-11/h4-6,9,13H,8,10H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1
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500 -36.0n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20099
PNG
(dipeptide-derived nitrile, 20 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccsc1)C(=O)NCC#N
Show InChI InChI=1S/C14H19N3O3S/c1-14(2,3)20-13(19)17-11(12(18)16-6-5-15)8-10-4-7-21-9-10/h4,7,9,11H,6,8H2,1-3H3,(H,16,18)(H,17,19)/t11-/m0/s1
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570 -35.6n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20091
PNG
(dipeptide-derived nitrile, 12 | tert-butyl N-[(1S)...)
Show SMILES CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C12H21N3O3S/c1-12(2,3)18-11(17)15-9(5-8-19-4)10(16)14-7-6-13/h9H,5,7-8H2,1-4H3,(H,14,16)(H,15,17)/t9-/m0/s1
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650 -35.3n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20086
PNG
(dipeptide-derived nitrile, 6 | tert-butyl N-[(1S)-...)
Show SMILES CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C12H21N3O3/c1-5-6-9(10(16)14-8-7-13)15-11(17)18-12(2,3)4/h9H,5-6,8H2,1-4H3,(H,14,16)(H,15,17)/t9-/m0/s1
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750 -35.0n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM92336
PNG
(Dipeptide nitrile, 10)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC#N)C#N
Show InChI InChI=1S/C18H22N4O3/c1-18(2,3)25-17(24)22-15(11-13-7-5-4-6-8-13)16(23)21-14(12-20)9-10-19/h4-8,14-15H,9,11H2,1-3H3,(H,21,23)(H,22,24)/t14-,15-/m0/s1
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PubMed
1.10E+3 -34.0n/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)


Article DOI: 10.3109/14756360902797328
BindingDB Entry DOI: 10.7270/Q2Q23XVB
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20097
PNG
(dipeptide-derived nitrile, 18 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccco1)C(=O)NCC#N
Show InChI InChI=1S/C14H19N3O4/c1-14(2,3)21-13(19)17-11(12(18)16-7-6-15)9-10-5-4-8-20-10/h4-5,8,11H,7,9H2,1-3H3,(H,16,18)(H,17,19)/t11-/m0/s1
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1.20E+3 -33.8n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20092
PNG
(dipeptide-derived nitrile, 13 | tert-butyl N-[(1S)...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C13H23N3O3/c1-5-6-7-10(11(17)15-9-8-14)16-12(18)19-13(2,3)4/h10H,5-7,9H2,1-4H3,(H,15,17)(H,16,18)/t10-/m0/s1
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1.57E+3 -33.1n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20087
PNG
(dipeptide-derived nitrile, 7 | tert-butyl N-[(1S)-...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C13H23N3O3/c1-9(2)8-10(11(17)15-7-6-14)16-12(18)19-13(3,4)5/h9-10H,7-8H2,1-5H3,(H,15,17)(H,16,18)/t10-/m0/s1
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2.00E+3 -32.5n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20085
PNG
(dipeptide-derived nitrile, 5 | tert-butyl N-[(1S)-...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C12H21N3O3/c1-8(2)9(10(16)14-7-6-13)15-11(17)18-12(3,4)5/h8-9H,7H2,1-5H3,(H,14,16)(H,15,17)/t9-/m0/s1
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2.00E+3 -32.5n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20090
PNG
(dipeptide-derived nitrile, 11 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC#N
Show InChI InChI=1S/C16H27N3O3/c1-16(2,3)22-15(21)19-13(14(20)18-10-9-17)11-12-7-5-4-6-8-12/h12-13H,4-8,10-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1
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2.20E+3 -32.3n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM19768
PNG
(Cbz-Leu-NH-CH2-CN | JMC487688 Compound 8 | benzyl ...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C16H21N3O3/c1-12(2)10-14(15(20)18-9-8-17)19-16(21)22-11-13-6-4-3-5-7-13/h3-7,12,14H,9-11H2,1-2H3,(H,18,20)(H,19,21)/t14-/m0/s1
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3.10E+3 -31.4n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20084
PNG
(dipeptide-derived nitrile, 4 | tert-butyl N-[(1S)-...)
Show SMILES CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C11H19N3O3/c1-5-8(9(15)13-7-6-12)14-10(16)17-11(2,3)4/h8H,5,7H2,1-4H3,(H,13,15)(H,14,16)/t8-/m0/s1
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5.40E+3 -30.1n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20101
PNG
(dipeptide-derived nitrile, 22 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C17H23N3O4/c1-17(2,3)24-16(22)20-14(15(21)19-10-9-18)12-23-11-13-7-5-4-6-8-13/h4-8,14H,10-12H2,1-3H3,(H,19,21)(H,20,22)/t14-/m0/s1
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1.10E+4 -28.3n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20100
PNG
(dipeptide-derived nitrile, 21 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C17H23N3O3/c1-17(2,3)23-16(22)20-14(15(21)19-12-11-18)10-9-13-7-5-4-6-8-13/h4-8,14H,9-10,12H2,1-3H3,(H,19,21)(H,20,22)/t14-/m0/s1
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1.20E+4 -28.1n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20089
PNG
(dipeptide-derived nitrile, 10 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCC#N
Show InChI InChI=1S/C13H21N3O3/c1-13(2,3)19-12(18)16-10(8-9-4-5-9)11(17)15-7-6-14/h9-10H,4-5,7-8H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1
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1.30E+4 -27.9n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20106
PNG
(dipeptide-derived nitrile, 27 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)NCC#N
Show InChI InChI=1S/C16H16F5N3O3/c1-16(2,3)27-15(26)24-8(14(25)23-5-4-22)6-7-9(17)11(19)13(21)12(20)10(7)18/h8H,5-6H2,1-3H3,(H,23,25)(H,24,26)/t8-/m0/s1
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1.40E+4 -27.7n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20083
PNG
(dipeptide-derived nitrile, 3 | tert-butyl N-[(1S)-...)
Show SMILES C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C10H17N3O3/c1-7(8(14)12-6-5-11)13-9(15)16-10(2,3)4/h7H,6H2,1-4H3,(H,12,14)(H,13,15)/t7-/m0/s1
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2.20E+4 -26.6n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20088
PNG
(dipeptide-derived nitrile, 9 | tert-butyl N-[(1S,2...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C13H23N3O3/c1-6-9(2)10(11(17)15-8-7-14)16-12(18)19-13(3,4)5/h9-10H,6,8H2,1-5H3,(H,15,17)(H,16,18)/t9-,10+/m1/s1
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2.60E+4 -26.2n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20094
PNG
(dipeptide-derived nitrile, 15 | tert-butyl N-[(S)-...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)NCC#N)c1ccccc1
Show InChI InChI=1S/C15H19N3O3/c1-15(2,3)21-14(20)18-12(13(19)17-10-9-16)11-7-5-4-6-8-11/h4-8,12H,10H2,1-3H3,(H,17,19)(H,18,20)/t12-/m0/s1
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8.30E+4 -23.3n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20093
PNG
(dipeptide-derived nitrile, 14 | tert-butyl (2S)-2-...)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC#N
Show InChI InChI=1S/C12H19N3O3/c1-12(2,3)18-11(17)15-8-4-5-9(15)10(16)14-7-6-13/h9H,4-5,7-8H2,1-3H3,(H,14,16)/t9-/m0/s1
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5.37E+5 -18.7n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20082
PNG
(benzyl N-{[(cyanomethyl)carbamoyl]methyl}carbamate...)
Show SMILES O=C(CNC(=O)OCc1ccccc1)NCC#N
Show InChI InChI=1S/C12H13N3O3/c13-6-7-14-11(16)8-15-12(17)18-9-10-4-2-1-3-5-10/h1-5H,7-9H2,(H,14,16)(H,15,17)
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1.60E+6 -16.0n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20080
PNG
(dipeptide-derived nitrile, 1 | tert-butyl N-{[(cya...)
Show SMILES CC(C)(C)OC(=O)NCC(=O)NCC#N
Show InChI InChI=1S/C9H15N3O3/c1-9(2,3)15-8(14)12-6-7(13)11-5-4-10/h5-6H2,1-3H3,(H,11,13)(H,12,14)
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>3.00E+6>-14.4n/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)


Article DOI: 10.1021/jm050686b
BindingDB Entry DOI: 10.7270/Q2GB22BG
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)


Article DOI: 10.1021/jm050184y
BindingDB Entry DOI: 10.7270/Q20K26S1
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)


Article DOI: 10.1016/j.bmc.2005.05.065
BindingDB Entry DOI: 10.7270/Q2VT1Q9R
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)


Article DOI: 10.1021/jm050184y
BindingDB Entry DOI: 10.7270/Q20K26S1
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)


Article DOI: 10.1021/jm050184y
BindingDB Entry DOI: 10.7270/Q20K26S1
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)


Article DOI: 10.1021/jm050184y
BindingDB Entry DOI: 10.7270/Q20K26S1
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)


Article DOI: 10.1016/j.bmc.2005.05.065
BindingDB Entry DOI: 10.7270/Q2VT1Q9R
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)


Article DOI: 10.1021/jm050184y
BindingDB Entry DOI: 10.7270/Q20K26S1
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)


Article DOI: 10.1016/j.bmc.2005.05.065
BindingDB Entry DOI: 10.7270/Q2VT1Q9R
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)


Article DOI: 10.1021/jm050184y
BindingDB Entry DOI: 10.7270/Q20K26S1
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)


Article DOI: 10.1021/jm050184y
BindingDB Entry DOI: 10.7270/Q20K26S1
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)


Article DOI: 10.1016/j.bmc.2005.05.065
BindingDB Entry DOI: 10.7270/Q2VT1Q9R
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)


Article DOI: 10.1016/j.bmc.2005.05.065
BindingDB Entry DOI: 10.7270/Q2VT1Q9R
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11275
PNG
(N-(3,4-dimethoxyphenyl)-2-[(4-hydroxy-6-phenylpyri...)
Show SMILES COc1ccc(NC(=O)CSc2nc(cc(=O)[nH]2)-c2ccccc2)cc1OC
Show InChI InChI=1S/C20H19N3O4S/c1-26-16-9-8-14(10-17(16)27-2)21-19(25)12-28-20-22-15(11-18(24)23-20)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23,24)
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PubMed
n/an/a 4.50E+4n/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)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11276
PNG
(2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydrop...)
Show SMILES COc1cccc(c1)-c1nc(SCC(=O)Nc2ccc(cc2)C(C)=O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C22H18N4O4S/c1-13(27)14-6-8-16(9-7-14)24-19(28)12-31-22-25-20(18(11-23)21(29)26-22)15-4-3-5-17(10-15)30-2/h3-10H,12H2,1-2H3,(H,24,28)(H,25,26,29)
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n/an/a 6.00E+4n/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)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
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