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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'chartomatsidou' and Initial = 'r'   
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
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50468724
PNG
(CHEMBL4294334)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCC1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C27H43N3O8/c1-16(2)14-18(28-26(36)38-27(3,4)5)22(31)29-13-9-12-19(29)23(32)30-20(24(33)34)21(30)25(35)37-15-17-10-7-6-8-11-17/h16-21H,6-15H2,1-5H3,(H,28,36)(H,33,34)/t18-,19+,20?,21?,30?/m0/s1
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120n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50468723
PNG
(CHEMBL4279824)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C28H39N3O8/c1-17(2)16-19(29-27(37)39-28(3,4)5)23(32)30-14-9-12-20(30)24(33)31-21(25(34)35)22(31)26(36)38-15-13-18-10-7-6-8-11-18/h6-8,10-11,17,19-22H,9,12-16H2,1-5H3,(H,29,37)(H,34,35)/t19-,20+,21?,22?,31?/m0/s1
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160n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50183767
PNG
((2R,3R)-dibenzyl 1-((S)-1-((S)-2-(tert-butoxycarbo...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@H]([C@@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26-,27+,28+/m0/s1
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400n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50183767
PNG
((2R,3R)-dibenzyl 1-((S)-1-((S)-2-(tert-butoxycarbo...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@H]([C@@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26-,27+,28+/m0/s1
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400n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-L using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50468724
PNG
(CHEMBL4294334)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCC1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C27H43N3O8/c1-16(2)14-18(28-26(36)38-27(3,4)5)22(31)29-13-9-12-19(29)23(32)30-20(24(33)34)21(30)25(35)37-15-17-10-7-6-8-11-17/h16-21H,6-15H2,1-5H3,(H,28,36)(H,33,34)/t18-,19+,20?,21?,30?/m0/s1
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450n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50183767
PNG
((2R,3R)-dibenzyl 1-((S)-1-((S)-2-(tert-butoxycarbo...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@H]([C@@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26-,27+,28+/m0/s1
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500n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50468724
PNG
(CHEMBL4294334)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCC1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C27H43N3O8/c1-16(2)14-18(28-26(36)38-27(3,4)5)22(31)29-13-9-12-19(29)23(32)30-20(24(33)34)21(30)25(35)37-15-17-10-7-6-8-11-17/h16-21H,6-15H2,1-5H3,(H,28,36)(H,33,34)/t18-,19+,20?,21?,30?/m0/s1
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710n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


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


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50183757
PNG
((2S,3S)-dibenzyl 1-((S)-1-((R)-2-(tert-butoxycarbo...)
Show SMILES CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26+,27+,28+/m1/s1
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790n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


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


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50183776
PNG
((2S,3S)-dibenzyl 1-((R)-1-((S)-2-(tert-butoxycarbo...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26+,27-,28-/m0/s1
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900n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


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


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50183757
PNG
((2S,3S)-dibenzyl 1-((S)-1-((R)-2-(tert-butoxycarbo...)
Show SMILES CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26+,27+,28+/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50183776
PNG
((2S,3S)-dibenzyl 1-((R)-1-((S)-2-(tert-butoxycarbo...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26+,27-,28-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50468723
PNG
(CHEMBL4279824)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C28H39N3O8/c1-17(2)16-19(29-27(37)39-28(3,4)5)23(32)30-14-9-12-20(30)24(33)31-21(25(34)35)22(31)26(36)38-15-13-18-10-7-6-8-11-18/h6-8,10-11,17,19-22H,9,12-16H2,1-5H3,(H,29,37)(H,34,35)/t19-,20+,21?,22?,31?/m0/s1
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1.26E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50468729
PNG
(CHEMBL4288606)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26+,27?,28?,37?/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50468725
PNG
(CHEMBL4279254)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1[C@H]([C@@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26+,27+,28+/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50468729
PNG
(CHEMBL4288606)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26+,27?,28?,37?/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


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


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50183762
PNG
((2S,3S)-dibenzyl 1-((S)-1-((S)-2-(tert-butoxycarbo...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26-,27-,28-/m0/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50183747
PNG
((2S,3S)-dibenzyl 1-((R)-1-((R)-2-(tert-butoxycarbo...)
Show SMILES CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26-,27+,28+/m1/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50183757
PNG
((2S,3S)-dibenzyl 1-((S)-1-((R)-2-(tert-butoxycarbo...)
Show SMILES CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26+,27+,28+/m1/s1
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4.00E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-L using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50468722
PNG
(CHEMBL4292021)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCc1ccccc1)C(=O)OCCc1ccccc1 |r|
Show InChI InChI=1S/C35H45N3O8/c1-23(2)21-26(36-34(43)46-35(3,4)5)30(39)37-19-12-17-27(37)31(40)38-28(32(41)44-20-18-24-13-8-6-9-14-24)29(38)33(42)45-22-25-15-10-7-11-16-25/h6-11,13-16,23,26-29H,12,17-22H2,1-5H3,(H,36,43)/t26-,27+,28?,29?,38?/m0/s1
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5.50E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


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


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50183776
PNG
((2S,3S)-dibenzyl 1-((R)-1-((S)-2-(tert-butoxycarbo...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26+,27-,28-/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-L using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50468724
PNG
(CHEMBL4294334)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCC1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C27H43N3O8/c1-16(2)14-18(28-26(36)38-27(3,4)5)22(31)29-13-9-12-19(29)23(32)30-20(24(33)34)21(30)25(35)37-15-17-10-7-6-8-11-17/h16-21H,6-15H2,1-5H3,(H,28,36)(H,33,34)/t18-,19+,20?,21?,30?/m0/s1
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7.30E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-L using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50468726
PNG
(CHEMBL4283566)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCc1ccccc1)C(=O)OCC1CCCCC1 |r|
Show InChI InChI=1S/C34H49N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6,8-9,13-14,22,24-28H,7,10-12,15-21H2,1-5H3,(H,35,42)/t25-,26+,27?,28?,37?/m0/s1
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7.60E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


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


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50468727
PNG
(CHEMBL4286203)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCCc1ccccc1)C(=O)OCCc1ccccc1 |r|
Show InChI InChI=1S/C36H47N3O8/c1-24(2)23-27(37-35(44)47-36(3,4)5)31(40)38-20-12-17-28(38)32(41)39-29(33(42)45-21-18-25-13-8-6-9-14-25)30(39)34(43)46-22-19-26-15-10-7-11-16-26/h6-11,13-16,24,27-30H,12,17-23H2,1-5H3,(H,37,44)/t27-,28+,29?,30?,39?/m0/s1
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7.70E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


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


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50468729
PNG
(CHEMBL4288606)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26+,27?,28?,37?/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-L using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50468721
PNG
(CHEMBL4289948)
Show SMILES CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@H]([C@@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26+,27-,28-/m1/s1
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1.52E+4n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cathepsin B-like protease


(Leishmania major)
BDBM50468725
PNG
(CHEMBL4279254)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1[C@H]([C@@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26+,27+,28+/m0/s1
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1.82E+4n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major MHOM/IL/81/FE/BNI His6-tagged CPC expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate by fluorescence spec...


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50183757
PNG
((2S,3S)-dibenzyl 1-((S)-1-((R)-2-(tert-butoxycarbo...)
Show SMILES CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26+,27+,28+/m1/s1
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2.83E+4n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50468728
PNG
(CHEMBL4290479)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCCCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C29H41N3O8/c1-18(2)17-20(30-28(38)40-29(3,4)5)24(33)31-15-9-14-21(31)25(34)32-22(26(35)36)23(32)27(37)39-16-10-13-19-11-7-6-8-12-19/h6-8,11-12,18,20-23H,9-10,13-17H2,1-5H3,(H,30,38)(H,35,36)/t20-,21+,22?,23?,32?/m0/s1
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2.86E+4n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50468721
PNG
(CHEMBL4289948)
Show SMILES CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@H]([C@@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26+,27-,28-/m1/s1
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3.09E+4n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


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


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50183776
PNG
((2S,3S)-dibenzyl 1-((R)-1-((S)-2-(tert-butoxycarbo...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26+,27-,28-/m0/s1
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4.39E+4n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50183767
PNG
((2R,3R)-dibenzyl 1-((S)-1-((S)-2-(tert-butoxycarbo...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@H]([C@@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26-,27+,28+/m0/s1
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1.14E+5n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-B using Z-Phe-Arg-AMC as substrate by fluorometric assay


Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair