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PubMed code 25375026

Compile data set for download or QSAR
Found 14 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
Procathepsin L


(Homo sapiens (Human))
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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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L (unknown origin) using fluorometric Z-Phe-Arg-AMC as substrate by spectrofluorimetry


J Nat Prod 77: 2418-22 (2014)


Article DOI: 10.1021/np500453x
BindingDB Entry DOI: 10.7270/Q2TT4SJJ
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
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 40n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B (unknown origin) using fluorometric Z-Phe-Arg-AMC as substrate by spectrofluorimetry


J Nat Prod 77: 2418-22 (2014)


Article DOI: 10.1021/np500453x
BindingDB Entry DOI: 10.7270/Q2TT4SJJ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50032157
PNG
(CHEMBL3360923)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc(-[#8])c(-[#6](=O)-[#6]-[#6]-c2ccc(-[#8])cc2)c1-[#8]
Show InChI InChI=1S/C25H30O5/c1-16(2)5-4-6-17(3)7-13-20-22(28)15-23(29)24(25(20)30)21(27)14-10-18-8-11-19(26)12-9-18/h5,7-9,11-12,15,26,28-30H,4,6,10,13-14H2,1-3H3/b17-7-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L (unknown origin) using fluorometric Z-Phe-Arg-AMC as substrate by spectrofluorimetry


J Nat Prod 77: 2418-22 (2014)


Article DOI: 10.1021/np500453x
BindingDB Entry DOI: 10.7270/Q2TT4SJJ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50032226
PNG
(CHEMBL3352911)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(-[#6]-[#6]-[#6](=O)-c2c(-[#8])cc3-[#8]C([#6])([#6])[#6]-[#6]-c3c2-[#8])ccc1-[#8]
Show InChI InChI=1S/C25H30O5/c1-15(2)5-8-17-13-16(6-9-19(17)26)7-10-20(27)23-21(28)14-22-18(24(23)29)11-12-25(3,4)30-22/h5-6,9,13-14,26,28-29H,7-8,10-12H2,1-4H3
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PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L (unknown origin) using fluorometric Z-Phe-Arg-AMC as substrate by spectrofluorimetry


J Nat Prod 77: 2418-22 (2014)


Article DOI: 10.1021/np500453x
BindingDB Entry DOI: 10.7270/Q2TT4SJJ
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50032157
PNG
(CHEMBL3360923)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc(-[#8])c(-[#6](=O)-[#6]-[#6]-c2ccc(-[#8])cc2)c1-[#8]
Show InChI InChI=1S/C25H30O5/c1-16(2)5-4-6-17(3)7-13-20-22(28)15-23(29)24(25(20)30)21(27)14-10-18-8-11-19(26)12-9-18/h5,7-9,11-12,15,26,28-30H,4,6,10,13-14H2,1-3H3/b17-7-
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PubMed
n/an/a 7.10E+3n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-AMC as substrate by spectrofluorimetry


J Nat Prod 77: 2418-22 (2014)


Article DOI: 10.1021/np500453x
BindingDB Entry DOI: 10.7270/Q2TT4SJJ
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50032159
PNG
(CHEMBL3352912)
Show SMILES CC1(C)CCc2c(O)c(C(=O)CCc3ccc4OC5(C)CCCC(C)(C)C5Cc4c3)c(O)cc2O1
Show InChI InChI=1S/C30H38O5/c1-28(2)12-6-13-30(5)25(28)16-19-15-18(8-10-23(19)35-30)7-9-21(31)26-22(32)17-24-20(27(26)33)11-14-29(3,4)34-24/h8,10,15,17,25,32-33H,6-7,9,11-14,16H2,1-5H3
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n/an/a 8.50E+3n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B (unknown origin) using fluorometric Z-Phe-Arg-AMC as substrate by spectrofluorimetry


J Nat Prod 77: 2418-22 (2014)


Article DOI: 10.1021/np500453x
BindingDB Entry DOI: 10.7270/Q2TT4SJJ
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50032159
PNG
(CHEMBL3352912)
Show SMILES CC1(C)CCc2c(O)c(C(=O)CCc3ccc4OC5(C)CCCC(C)(C)C5Cc4c3)c(O)cc2O1
Show InChI InChI=1S/C30H38O5/c1-28(2)12-6-13-30(5)25(28)16-19-15-18(8-10-23(19)35-30)7-9-21(31)26-22(32)17-24-20(27(26)33)11-14-29(3,4)34-24/h8,10,15,17,25,32-33H,6-7,9,11-14,16H2,1-5H3
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n/an/a 8.70E+3n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-AMC as substrate by spectrofluorimetry


J Nat Prod 77: 2418-22 (2014)


Article DOI: 10.1021/np500453x
BindingDB Entry DOI: 10.7270/Q2TT4SJJ
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50032226
PNG
(CHEMBL3352911)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(-[#6]-[#6]-[#6](=O)-c2c(-[#8])cc3-[#8]C([#6])([#6])[#6]-[#6]-c3c2-[#8])ccc1-[#8]
Show InChI InChI=1S/C25H30O5/c1-15(2)5-8-17-13-16(6-9-19(17)26)7-10-20(27)23-21(28)14-22-18(24(23)29)11-12-25(3,4)30-22/h5-6,9,13-14,26,28-29H,7-8,10-12H2,1-4H3
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PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-AMC as substrate by spectrofluorimetry


J Nat Prod 77: 2418-22 (2014)


Article DOI: 10.1021/np500453x
BindingDB Entry DOI: 10.7270/Q2TT4SJJ
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50032240
PNG
(CHEMBL3352910)
Show SMILES CC1(C)CCc2cc(CCC(=O)c3c(O)cc4OC(C)(C)CCc4c3O)ccc2O1
Show InChI InChI=1S/C25H30O5/c1-24(2)11-9-16-13-15(6-8-20(16)29-24)5-7-18(26)22-19(27)14-21-17(23(22)28)10-12-25(3,4)30-21/h6,8,13-14,27-28H,5,7,9-12H2,1-4H3
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n/an/a 1.49E+4n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B (unknown origin) using fluorometric Z-Phe-Arg-AMC as substrate by spectrofluorimetry


J Nat Prod 77: 2418-22 (2014)


Article DOI: 10.1021/np500453x
BindingDB Entry DOI: 10.7270/Q2TT4SJJ
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50032240
PNG
(CHEMBL3352910)
Show SMILES CC1(C)CCc2cc(CCC(=O)c3c(O)cc4OC(C)(C)CCc4c3O)ccc2O1
Show InChI InChI=1S/C25H30O5/c1-24(2)11-9-16-13-15(6-8-20(16)29-24)5-7-18(26)22-19(27)14-21-17(23(22)28)10-12-25(3,4)30-21/h6,8,13-14,27-28H,5,7,9-12H2,1-4H3
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n/an/a 2.16E+4n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-AMC as substrate by spectrofluorimetry


J Nat Prod 77: 2418-22 (2014)


Article DOI: 10.1021/np500453x
BindingDB Entry DOI: 10.7270/Q2TT4SJJ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50032240
PNG
(CHEMBL3352910)
Show SMILES CC1(C)CCc2cc(CCC(=O)c3c(O)cc4OC(C)(C)CCc4c3O)ccc2O1
Show InChI InChI=1S/C25H30O5/c1-24(2)11-9-16-13-15(6-8-20(16)29-24)5-7-18(26)22-19(27)14-21-17(23(22)28)10-12-25(3,4)30-21/h6,8,13-14,27-28H,5,7,9-12H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L (unknown origin) using fluorometric Z-Phe-Arg-AMC as substrate by spectrofluorimetry


J Nat Prod 77: 2418-22 (2014)


Article DOI: 10.1021/np500453x
BindingDB Entry DOI: 10.7270/Q2TT4SJJ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50032159
PNG
(CHEMBL3352912)
Show SMILES CC1(C)CCc2c(O)c(C(=O)CCc3ccc4OC5(C)CCCC(C)(C)C5Cc4c3)c(O)cc2O1
Show InChI InChI=1S/C30H38O5/c1-28(2)12-6-13-30(5)25(28)16-19-15-18(8-10-23(19)35-30)7-9-21(31)26-22(32)17-24-20(27(26)33)11-14-29(3,4)34-24/h8,10,15,17,25,32-33H,6-7,9,11-14,16H2,1-5H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L (unknown origin) using fluorometric Z-Phe-Arg-AMC as substrate by spectrofluorimetry


J Nat Prod 77: 2418-22 (2014)


Article DOI: 10.1021/np500453x
BindingDB Entry DOI: 10.7270/Q2TT4SJJ
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50032226
PNG
(CHEMBL3352911)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(-[#6]-[#6]-[#6](=O)-c2c(-[#8])cc3-[#8]C([#6])([#6])[#6]-[#6]-c3c2-[#8])ccc1-[#8]
Show InChI InChI=1S/C25H30O5/c1-15(2)5-8-17-13-16(6-9-19(17)26)7-10-20(27)23-21(28)14-22-18(24(23)29)11-12-25(3,4)30-22/h5-6,9,13-14,26,28-29H,7-8,10-12H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B (unknown origin) using fluorometric Z-Phe-Arg-AMC as substrate by spectrofluorimetry


J Nat Prod 77: 2418-22 (2014)


Article DOI: 10.1021/np500453x
BindingDB Entry DOI: 10.7270/Q2TT4SJJ
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50032157
PNG
(CHEMBL3360923)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc(-[#8])c(-[#6](=O)-[#6]-[#6]-c2ccc(-[#8])cc2)c1-[#8]
Show InChI InChI=1S/C25H30O5/c1-16(2)5-4-6-17(3)7-13-20-22(28)15-23(29)24(25(20)30)21(27)14-10-18-8-11-19(26)12-9-18/h5,7-9,11-12,15,26,28-30H,4,6,10,13-14H2,1-3H3/b17-7-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B (unknown origin) using fluorometric Z-Phe-Arg-AMC as substrate by spectrofluorimetry


J Nat Prod 77: 2418-22 (2014)


Article DOI: 10.1021/np500453x
BindingDB Entry DOI: 10.7270/Q2TT4SJJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%