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PubMed code 18995931

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Papain


(Carica papaya)
BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
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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PubMed
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)


Article DOI: 10.1016/j.ejmech.2008.09.018
BindingDB Entry DOI: 10.7270/Q26974HM
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50286441
PNG
((S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylami...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/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 cathepsin B by spectrofluorimetry


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


Article DOI: 10.1016/j.ejmech.2008.09.018
BindingDB Entry DOI: 10.7270/Q26974HM
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50378032
PNG
(CHEMBL452483 | Guttiferone A)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6][C@]1([#6])[#6@@H](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6][C@@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]1([#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,TLB:43:42:6.8.14:21.23.34|
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)


Article DOI: 10.1016/j.ejmech.2008.09.018
BindingDB Entry DOI: 10.7270/Q26974HM
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50378032
PNG
(CHEMBL452483 | Guttiferone A)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6][C@]1([#6])[#6@@H](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6][C@@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]1([#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,TLB:43:42:6.8.14:21.23.34|
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 2.10E+3n/an/an/an/an/an/a



Federal University of Alfenas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B by spectrofluorimetry


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


Article DOI: 10.1016/j.ejmech.2008.09.018
BindingDB Entry DOI: 10.7270/Q26974HM
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50378032
PNG
(CHEMBL452483 | Guttiferone A)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6][C@]1([#6])[#6@@H](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6][C@@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]1([#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,TLB:43:42:6.8.14:21.23.34|
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 2.70E+3n/an/an/an/an/an/a



Federal University of Alfenas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin G by spectrofluorimetry


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


Article DOI: 10.1016/j.ejmech.2008.09.018
BindingDB Entry DOI: 10.7270/Q26974HM
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50249351
PNG
(CHEMBL470519 | epiclusianone)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccccc3)-[#6](=O)[C@](\[#6]=[#6](/[#6])-[#6])([#6]2=O)C1([#6])[#6] |r,THB:32:31:15.13.24:6.33.5|
Show InChI InChI=1S/C32H40O4/c1-20(2)14-15-24-19-31(17-16-21(3)4)27(34)25(26(33)23-12-10-9-11-13-23)28(35)32(29(31)36,18-22(5)6)30(24,7)8/h9-14,16,18,24-25H,15,17,19H2,1-8H3/t24-,25?,31-,32+/m0/s1
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n/an/a 1.95E+4n/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)


Article DOI: 10.1016/j.ejmech.2008.09.018
BindingDB Entry DOI: 10.7270/Q26974HM
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50249351
PNG
(CHEMBL470519 | epiclusianone)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccccc3)-[#6](=O)[C@](\[#6]=[#6](/[#6])-[#6])([#6]2=O)C1([#6])[#6] |r,THB:32:31:15.13.24:6.33.5|
Show InChI InChI=1S/C32H40O4/c1-20(2)14-15-24-19-31(17-16-21(3)4)27(34)25(26(33)23-12-10-9-11-13-23)28(35)32(29(31)36,18-22(5)6)30(24,7)8/h9-14,16,18,24-25H,15,17,19H2,1-8H3/t24-,25?,31-,32+/m0/s1
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n/an/a 3.79E+4n/an/an/an/an/an/a



Federal University of Alfenas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin G by spectrofluorimetry


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


Article DOI: 10.1016/j.ejmech.2008.09.018
BindingDB Entry DOI: 10.7270/Q26974HM
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50249351
PNG
(CHEMBL470519 | epiclusianone)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccccc3)-[#6](=O)[C@](\[#6]=[#6](/[#6])-[#6])([#6]2=O)C1([#6])[#6] |r,THB:32:31:15.13.24:6.33.5|
Show InChI InChI=1S/C32H40O4/c1-20(2)14-15-24-19-31(17-16-21(3)4)27(34)25(26(33)23-12-10-9-11-13-23)28(35)32(29(31)36,18-22(5)6)30(24,7)8/h9-14,16,18,24-25H,15,17,19H2,1-8H3/t24-,25?,31-,32+/m0/s1
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n/an/a 7.37E+4n/an/an/an/an/an/a



Federal University of Alfenas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B by spectrofluorimetry


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


Article DOI: 10.1016/j.ejmech.2008.09.018
BindingDB Entry DOI: 10.7270/Q26974HM
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50249352
PNG
(CHEMBL470520 | garciniaphenone)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccccc3)-[#6](=O)-[#6@H](-[#6]2=O)C1([#6])[#6] |r,THB:28:27:15.13.24:6.29.5|
Show InChI InChI=1S/C28H34O4/c1-17(2)12-13-20-16-28(15-14-18(3)4)25(31)21(23(29)19-10-8-7-9-11-19)24(30)22(26(28)32)27(20,5)6/h7-12,14,20-22H,13,15-16H2,1-6H3/t20-,21?,22?,28-/m0/s1
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n/an/a 9.76E+4n/an/an/an/an/an/a



Federal University of Alfenas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin G by spectrofluorimetry


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


Article DOI: 10.1016/j.ejmech.2008.09.018
BindingDB Entry DOI: 10.7270/Q26974HM
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50249352
PNG
(CHEMBL470520 | garciniaphenone)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccccc3)-[#6](=O)-[#6@H](-[#6]2=O)C1([#6])[#6] |r,THB:28:27:15.13.24:6.29.5|
Show InChI InChI=1S/C28H34O4/c1-17(2)12-13-20-16-28(15-14-18(3)4)25(31)21(23(29)19-10-8-7-9-11-19)24(30)22(26(28)32)27(20,5)6/h7-12,14,20-22H,13,15-16H2,1-6H3/t20-,21?,22?,28-/m0/s1
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n/an/a 1.04E+5n/an/an/an/an/an/a



Federal University of Alfenas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B by spectrofluorimetry


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


Article DOI: 10.1016/j.ejmech.2008.09.018
BindingDB Entry DOI: 10.7270/Q26974HM
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50249352
PNG
(CHEMBL470520 | garciniaphenone)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccccc3)-[#6](=O)-[#6@H](-[#6]2=O)C1([#6])[#6] |r,THB:28:27:15.13.24:6.29.5|
Show InChI InChI=1S/C28H34O4/c1-17(2)12-13-20-16-28(15-14-18(3)4)25(31)21(23(29)19-10-8-7-9-11-19)24(30)22(26(28)32)27(20,5)6/h7-12,14,20-22H,13,15-16H2,1-6H3/t20-,21?,22?,28-/m0/s1
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n/an/a 1.31E+5n/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)


Article DOI: 10.1016/j.ejmech.2008.09.018
BindingDB Entry DOI: 10.7270/Q26974HM
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50249353
PNG
(1,1,3-trihydroxybenzophenone | 2,2',4-trihydroxybe...)
Show SMILES Oc1ccc(C(=O)c2ccccc2O)c(O)c1
Show InChI InChI=1S/C13H10O4/c14-8-5-6-10(12(16)7-8)13(17)9-3-1-2-4-11(9)15/h1-7,14-16H
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n/an/a 1.98E+5n/an/an/an/an/an/a



Federal University of Alfenas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B by spectrofluorimetry


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


Article DOI: 10.1016/j.ejmech.2008.09.018
BindingDB Entry DOI: 10.7270/Q26974HM
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM22726
PNG
(Benzophenone | CHEMBL90039 | diphenylmethanone)
Show SMILES O=C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
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n/an/a 2.89E+5n/an/an/an/an/an/a



Federal University of Alfenas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B by spectrofluorimetry


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


Article DOI: 10.1016/j.ejmech.2008.09.018
BindingDB Entry DOI: 10.7270/Q26974HM
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50249353
PNG
(1,1,3-trihydroxybenzophenone | 2,2',4-trihydroxybe...)
Show SMILES Oc1ccc(C(=O)c2ccccc2O)c(O)c1
Show InChI InChI=1S/C13H10O4/c14-8-5-6-10(12(16)7-8)13(17)9-3-1-2-4-11(9)15/h1-7,14-16H
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n/an/a 4.33E+5n/an/an/an/an/an/a



Federal University of Alfenas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin G by spectrofluorimetry


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


Article DOI: 10.1016/j.ejmech.2008.09.018
BindingDB Entry DOI: 10.7270/Q26974HM
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50249353
PNG
(1,1,3-trihydroxybenzophenone | 2,2',4-trihydroxybe...)
Show SMILES Oc1ccc(C(=O)c2ccccc2O)c(O)c1
Show InChI InChI=1S/C13H10O4/c14-8-5-6-10(12(16)7-8)13(17)9-3-1-2-4-11(9)15/h1-7,14-16H
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n/an/a 6.93E+5n/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)


Article DOI: 10.1016/j.ejmech.2008.09.018
BindingDB Entry DOI: 10.7270/Q26974HM
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM22726
PNG
(Benzophenone | CHEMBL90039 | diphenylmethanone)
Show SMILES O=C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
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n/an/a 3.47E+6n/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)


Article DOI: 10.1016/j.ejmech.2008.09.018
BindingDB Entry DOI: 10.7270/Q26974HM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%