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Compile Data Set for Download or QSAR

Found 209 hits with Last Name = 'dos reis rocho' and Initial = 'f'   
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))		BDBM50451631
PNG
(CHEMBL4212454)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(nn1C)C(C)(C)C |r|
Show InChI InChI=1S/C21H28N6O2/c1-21(2,3)18-13-17(26(5)24-18)19(28)23-16(12-15-10-8-7-9-11-15)20(29)27(6)25(4)14-22/h7-11,13,16H,12H2,1-6H3,(H,23,28)/t16-/m0/s1
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 0.126n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substrate addition by fluor...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50451625
PNG
(CHEMBL4217414)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(nn1C)C(C)(C)C)C(=O)N(C)N(C)C#N |r|
Show InChI InChI=1S/C18H30N6O2/c1-12(2)9-13(17(26)24(8)22(6)11-19)20-16(25)14-10-15(18(3,4)5)21-23(14)7/h10,12-13H,9H2,1-8H3,(H,20,25)/t13-/m0/s1
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 0.501n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substrate addition by fluor...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50502827
PNG
(CHEMBL4565840)
Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
Show InChI InChI=1S/C29H30F3N3O/c1-20(2)17-26(28(36)34-25(19-33)18-21-9-5-3-6-10-21)35-27(29(30,31)32)24-15-13-23(14-16-24)22-11-7-4-8-12-22/h3-16,20,25-27,35H,17-18H2,1-2H3,(H,34,36)/t25-,26-,27-/m0/s1
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 0.631n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...

Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115083
BindingDB Entry DOI: 10.7270/Q29P34WR
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM31992
PNG
(Dipeptidyl nitrile inhibitor, 25)
Show SMILES Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N)C(C)(C)C |r|
Show InChI InChI=1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1
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 1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substrate addition by fluor...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50502833
PNG
(CHEMBL4473385)
Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cncnc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
Show InChI InChI=1S/C27H28F3N5O/c1-18(2)12-24(26(36)34-23(14-31)13-19-6-4-3-5-7-19)35-25(27(28,29)30)21-10-8-20(9-11-21)22-15-32-17-33-16-22/h3-11,15-18,23-25,35H,12-13H2,1-2H3,(H,34,36)/t23-,24-,25-/m0/s1
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 1.60n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...

Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115083
BindingDB Entry DOI: 10.7270/Q29P34WR
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50451631
PNG
(CHEMBL4212454)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(nn1C)C(C)(C)C |r|
Show InChI InChI=1S/C21H28N6O2/c1-21(2,3)18-13-17(26(5)24-18)19(28)23-16(12-15-10-8-7-9-11-15)20(29)27(6)25(4)14-22/h7-11,13,16H,12H2,1-6H3,(H,23,28)/t16-/m0/s1
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 1.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substra...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50451625
PNG
(CHEMBL4217414)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(nn1C)C(C)(C)C)C(=O)N(C)N(C)C#N |r|
Show InChI InChI=1S/C18H30N6O2/c1-12(2)9-13(17(26)24(8)22(6)11-19)20-16(25)14-10-15(18(3,4)5)21-23(14)7/h10,12-13H,9H2,1-8H3,(H,20,25)/t13-/m0/s1
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 1.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substra...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50502846
PNG
(CHEMBL4451757)
Show SMILES CC(C)C[C@H](N[C@@H](c1ccccc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
Show InChI InChI=1S/C23H26F3N3O/c1-16(2)13-20(29-21(23(24,25)26)18-11-7-4-8-12-18)22(30)28-19(15-27)14-17-9-5-3-6-10-17/h3-12,16,19-21,29H,13-14H2,1-2H3,(H,28,30)/t19-,20-,21-/m0/s1
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 1.60n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...

Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115083
BindingDB Entry DOI: 10.7270/Q29P34WR
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50502822
PNG
(CHEMBL4522247)
Show SMILES FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H19ClF3N3O/c22-16-8-4-7-15(12-16)18(21(23,24)25)27-17(11-14-5-2-1-3-6-14)19(29)28-20(13-26)9-10-20/h1-8,12,17-18,27H,9-11H2,(H,28,29)/t17-,18-/m0/s1
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 4n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain assessed as inhibitor constant using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins ...

Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115083
BindingDB Entry DOI: 10.7270/Q29P34WR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50560498
PNG
(CHEMBL4763197)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|
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 4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50554304
PNG
(CHEMBL4752430)
Show SMILES Cn1nc(cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N)C(C)(C)C |r|
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 4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substrate addition by fluor...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50554310
PNG
(CHEMBL4760625)
Show SMILES CC(C)C[C@H](NC(=O)C1(CCC1)c1ccccc1)C(=O)NC1(CC1)C#N |r|
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 5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substrate addition by fluor...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50554312
PNG
(CHEMBL4792408)
Show SMILES CC(C)C[C@H](NC(=O)C1(CC1)c1ccccc1)C(=O)NC1(CC1)C#N |r|
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 5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substrate addition by fluor...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50502846
PNG
(CHEMBL4451757)
Show SMILES CC(C)C[C@H](N[C@@H](c1ccccc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
Show InChI InChI=1S/C23H26F3N3O/c1-16(2)13-20(29-21(23(24,25)26)18-11-7-4-8-12-18)22(30)28-19(15-27)14-17-9-5-3-6-10-17/h3-12,16,19-21,29H,13-14H2,1-2H3,(H,28,30)/t19-,20-,21-/m0/s1
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 5n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...

Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115083
BindingDB Entry DOI: 10.7270/Q29P34WR
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50554305
PNG
(CHEMBL4776795)
Show SMILES Cn1nc(cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)C(C)(C)C |r|
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 5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substrate addition by fluor...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50502832
PNG
(CHEMBL4579894)
Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C24H26F3N3O/c1-16(2)14-20(22(31)30-23(15-28)12-13-23)29-21(24(25,26)27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,20-21,29H,12-14H2,1-2H3,(H,30,31)/t20-,21-/m0/s1
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 7.90n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...

Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115083
BindingDB Entry DOI: 10.7270/Q29P34WR
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50554300
PNG
(CHEMBL4792949)
Show SMILES Brc1cncc(c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r|
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 10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substrate addition by fluor...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50554308
PNG
(CHEMBL4761511)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(nn1C)C(C)(C)C)C(=O)NC1(CC1)C#N |r|
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 13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substrate addition by fluor...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50560496
PNG
(CHEMBL4790787)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r|
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 14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM31992
PNG
(Dipeptidyl nitrile inhibitor, 25)
Show SMILES Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N)C(C)(C)C |r|
Show InChI InChI=1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1
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 16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substra...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50502834
PNG
(CHEMBL4442543)
Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C17H21N3O2/c1-12(2)10-14(16(22)20-17(11-18)8-9-17)19-15(21)13-6-4-3-5-7-13/h3-7,12,14H,8-10H2,1-2H3,(H,19,21)(H,20,22)/t14-/m0/s1
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 20n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...

Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115083
BindingDB Entry DOI: 10.7270/Q29P34WR
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50554310
PNG
(CHEMBL4760625)
Show SMILES CC(C)C[C@H](NC(=O)C1(CCC1)c1ccccc1)C(=O)NC1(CC1)C#N |r|
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 20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substra...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50502834
PNG
(CHEMBL4442543)
Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C17H21N3O2/c1-12(2)10-14(16(22)20-17(11-18)8-9-17)19-15(21)13-6-4-3-5-7-13/h3-7,12,14H,8-10H2,1-2H3,(H,19,21)(H,20,22)/t14-/m0/s1
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 20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substrate addition by fluor...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM31970
PNG
(Dipeptidyl nitrile inhibitor, 1)
Show SMILES Clc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)c1 |r|
Show InChI InChI=1S/C18H16ClN3O2/c19-15-8-4-5-13(11-15)12-16(18(24)21-10-9-20)22-17(23)14-6-2-1-3-7-14/h1-8,11,16H,10,12H2,(H,21,24)(H,22,23)/t16-/m0/s1
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 20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substrate addition by fluor...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50560498
PNG
(CHEMBL4763197)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|
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 23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50502833
PNG
(CHEMBL4473385)
Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cncnc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
Show InChI InChI=1S/C27H28F3N5O/c1-18(2)12-24(26(36)34-23(14-31)13-19-6-4-3-5-7-19)35-25(27(28,29)30)21-10-8-20(9-11-21)22-15-32-17-33-16-22/h3-11,15-18,23-25,35H,12-13H2,1-2H3,(H,34,36)/t23-,24-,25-/m0/s1
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 25n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...

Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115083
BindingDB Entry DOI: 10.7270/Q29P34WR
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50554312
PNG
(CHEMBL4792408)
Show SMILES CC(C)C[C@H](NC(=O)C1(CC1)c1ccccc1)C(=O)NC1(CC1)C#N |r|
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 25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substra...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50554308
PNG
(CHEMBL4761511)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(nn1C)C(C)(C)C)C(=O)NC1(CC1)C#N |r|
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 25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substra...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50560495
PNG
(CHEMBL4797550)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|
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 25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50554307
PNG
(CHEMBL4784502)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(nn1C)C(C)(C)C)C(=O)NCC#N |r|
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 25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substrate addition by fluor...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50554306
PNG
(CHEMBL4741237)
Show SMILES Cn1nc(cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N)C(F)(F)F |r|
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 25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substrate addition by fluor...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50560487
PNG
(CHEMBL4760449)
Show SMILES Clc1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|
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 26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50560502
PNG
(CHEMBL4743577)
Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(c1)-c1ccccc1 |r|
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 27n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50560485
PNG
(CHEMBL4779451)
Show SMILES Fc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|
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 30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50560489
PNG
(CHEMBL4799671)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NC1(CC1)C#N |r|
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 30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50554311
PNG
(CHEMBL4750552)
Show SMILES CC(C)C[C@H](NC(=O)C(F)(F)c1ccccc1)C(=O)NC1(CC1)C#N |r|
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 32n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substrate addition by fluor...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50560492
PNG
(CHEMBL4761912)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
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 33n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50502836
PNG
(CHEMBL4439127)
Show SMILES COc1ccc(C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)NC2(CC2)C#N)cc1 |r|
Show InChI InChI=1S/C22H22F3N3O2/c1-30-17-9-7-15(8-10-17)13-18(20(29)28-21(14-26)11-12-21)27-19(22(23,24)25)16-5-3-2-4-6-16/h2-10,18-19,27H,11-13H2,1H3,(H,28,29)/t18-,19-/m0/s1
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 34.6n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain assessed as inhibitor constant using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins ...

Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115083
BindingDB Entry DOI: 10.7270/Q29P34WR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50560501
PNG
(CHEMBL4788237)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|
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 36n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50502851
PNG
(CHEMBL4467498)
Show SMILES COc1ccc(C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(O)=O)cc1 |r|
Show InChI InChI=1S/C18H18F3NO3/c1-25-14-9-7-12(8-10-14)11-15(17(23)24)22-16(18(19,20)21)13-5-3-2-4-6-13/h2-10,15-16,22H,11H2,1H3,(H,23,24)/t15-,16-/m0/s1
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 38.8n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain assessed as inhibitor constant using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins ...

Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115083
BindingDB Entry DOI: 10.7270/Q29P34WR
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50554313
PNG
(CHEMBL4763131)
Show SMILES CC(C)C[C@H](NC(=O)C(C)(C)c1ccccc1)C(=O)NC1(CC1)C#N |r|
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 40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substrate addition by fluor...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50502823
PNG
(CHEMBL4519995)
Show SMILES CC(C)C[C@H](N[C@@H](c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C18H22F3N3O/c1-12(2)10-14(16(25)24-17(11-22)8-9-17)23-15(18(19,20)21)13-6-4-3-5-7-13/h3-7,12,14-15,23H,8-10H2,1-2H3,(H,24,25)/t14-,15-/m0/s1
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 40n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...

Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115083
BindingDB Entry DOI: 10.7270/Q29P34WR
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50502835
PNG
(CHEMBL4463665)
Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H19N3O2/c21-14-20(11-12-20)23-19(25)17(13-15-7-3-1-4-8-15)22-18(24)16-9-5-2-6-10-16/h1-10,17H,11-13H2,(H,22,24)(H,23,25)/t17-/m0/s1
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 40n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...

Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115083
BindingDB Entry DOI: 10.7270/Q29P34WR
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50554309
PNG
(CHEMBL4792937)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)NC1(CC1)C#N |r|
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 40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substra...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50560494
PNG
(CHEMBL4748529)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r|
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 41n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50560491
PNG
(CHEMBL4788083)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
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 43n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50560492
PNG
(CHEMBL4761912)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
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 43n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50560496
PNG
(CHEMBL4790787)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r|
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 45n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50502834
PNG
(CHEMBL4442543)
Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C17H21N3O2/c1-12(2)10-14(16(22)20-17(11-18)8-9-17)19-15(21)13-6-4-3-5-7-13/h3-7,12,14H,8-10H2,1-2H3,(H,19,21)(H,20,22)/t14-/m0/s1
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 50n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...

Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115083
BindingDB Entry DOI: 10.7270/Q29P34WR
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50502834
PNG
(CHEMBL4442543)
Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C17H21N3O2/c1-12(2)10-14(16(22)20-17(11-18)8-9-17)19-15(21)13-6-4-3-5-7-13/h3-7,12,14H,8-10H2,1-2H3,(H,19,21)(H,20,22)/t14-/m0/s1
PDB
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 50n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substra...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115743
BindingDB Entry DOI: 10.7270/Q27H1P7R
More data for this
Ligand-Target Pair
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