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Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'assis' and Initial = 'dm'   
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
Cruzipain


(Trypanosoma cruzi)
BDBM241952
PNG
(Fukugetin)
Show SMILES Oc1ccc(cc1)C1Oc2cc(O)cc(O)c2C(=O)C1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C30H20O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-11,27,29,31-37H
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1.00E+3n/an/an/an/an/an/an/an/a



Federal University of São Paulo



Assay Description
To characterize the type and extent inhibition of papain by fukugetin, papain (0.04 nM) was incubated with four concentrations of fukugetin (1.5, 3, ...


J Enzyme Inhib Med Chem 28: 661-70 (2013)


Article DOI: 10.3109/14756366.2012.668539
BindingDB Entry DOI: 10.7270/Q2T43S03
More data for this
Ligand-Target Pair
Kallikrein-2


(Homo sapiens (Human))
BDBM50292533
PNG
(CHEMBL446790 | Fukugetin)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2/t22?,27-,29+/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Campus Inc

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human tissue kallikrein-2 expressed in baculovirus infected insect cells using Abz-KLRSSQ-EDDnp as substrate preincubated fo...


Bioorg Med Chem Lett 26: 1485-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.039
BindingDB Entry DOI: 10.7270/Q2862J9K
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM50292533
PNG
(CHEMBL446790 | Fukugetin)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2/t22?,27-,29+/m1/s1
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3.60E+3n/an/an/an/an/an/an/an/a



Campus Inc

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human tissue kallikrein-1 expressed in baculovirus infected insect cells using Abz-KLRSSQ-EDDnp as substrate preincubated fo...


Bioorg Med Chem Lett 26: 1485-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.039
BindingDB Entry DOI: 10.7270/Q2862J9K
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM241952
PNG
(Fukugetin)
Show SMILES Oc1ccc(cc1)C1Oc2cc(O)cc(O)c2C(=O)C1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C30H20O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-11,27,29,31-37H
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1.34E+4n/an/an/an/an/an/an/an/a



Federal University of São Paulo



Assay Description
To characterize the type and extent inhibition of papain by fukugetin, papain (0.04 nM) was incubated with four concentrations of fukugetin (1.5, 3, ...


J Enzyme Inhib Med Chem 28: 661-70 (2013)


Article DOI: 10.3109/14756366.2012.668539
BindingDB Entry DOI: 10.7270/Q2T43S03
More data for this
Ligand-Target Pair
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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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
Kallikrein-2


(Homo sapiens (Human))
BDBM50292533
PNG
(CHEMBL446790 | Fukugetin)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2/t22?,27-,29+/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Campus Inc

Curated by ChEMBL


Assay Description
Inhibition of human tissue kallikrein-2 expressed in baculovirus infected insect cells using Abz-KLRSSQ-EDDnp as substrate preincubated for 10 mins f...


Bioorg Med Chem Lett 26: 1485-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.039
BindingDB Entry DOI: 10.7270/Q2862J9K
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM50292533
PNG
(CHEMBL446790 | Fukugetin)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2/t22?,27-,29+/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Campus Inc

Curated by ChEMBL


Assay Description
Inhibition of human tissue kallikrein-1 expressed in baculovirus infected insect cells using Abz-KLRSSQ-EDDnp as substrate preincubated for 10 mins f...


Bioorg Med Chem Lett 26: 1485-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.039
BindingDB Entry DOI: 10.7270/Q2862J9K
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50292533
PNG
(CHEMBL446790 | Fukugetin)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2/t22?,27-,29+/m1/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



Campus Inc

Curated by ChEMBL


Assay Description
Inhibition of human tissue kallikrein-5 expressed in baculovirus infected insect cells using Abz-KLRSSQ-EDDnp as substrate preincubated for 10 mins f...


Bioorg Med Chem Lett 26: 1485-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.039
BindingDB Entry DOI: 10.7270/Q2862J9K
More data for this
Ligand-Target Pair
Prostate-specific antigen


(Homo sapiens (Human))
BDBM50292533
PNG
(CHEMBL446790 | Fukugetin)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2/t22?,27-,29+/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Campus Inc

Curated by ChEMBL


Assay Description
Inhibition of human tissue kallikrein-3 expressed in baculovirus infected insect cells using Abz-KLYSSQ-EDDnp as substrate preincubated for 10 mins f...


Bioorg Med Chem Lett 26: 1485-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.039
BindingDB Entry DOI: 10.7270/Q2862J9K
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))
BDBM50292533
PNG
(CHEMBL446790 | Fukugetin)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2/t22?,27-,29+/m1/s1
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n/an/a 1.35E+4n/an/an/an/an/an/a



Campus Inc

Curated by ChEMBL


Assay Description
Inhibition of human tissue kallikrein-6 expressed in baculovirus infected insect cells using Abz-KLRSSQ-EDDnp as substrate preincubated for 10 mins f...


Bioorg Med Chem Lett 26: 1485-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.039
BindingDB Entry DOI: 10.7270/Q2862J9K
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50292533
PNG
(CHEMBL446790 | Fukugetin)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2/t22?,27-,29+/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Campus Inc

Curated by ChEMBL


Assay Description
Inhibition of human tissue kallikrein-7 expressed in baculovirus infected insect cells using Abz-KLYSSQ-EDDnp as substrate preincubated for 10 mins f...


Bioorg Med Chem Lett 26: 1485-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.039
BindingDB Entry DOI: 10.7270/Q2862J9K
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