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Compile Data Set for Download or QSAR

Found 785 hits Enz. Inhib. hit(s) with Target = 'Cruzipain' AND taxid = 5693   
Target
(Institution)
LigandTarget
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)
BDBM50108858
PNG
(CHEMBL347459 | {1-[2-Oxo-1-phenethyl-3-(3-phenyl-p...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1cccnc1
Show InChI InChI=1S/C36H39N3O4S/c40-34(27-44-23-11-19-28-12-4-1-5-13-28)32(21-20-29-14-6-2-7-15-29)38-35(41)33(24-30-16-8-3-9-17-30)39-36(42)43-26-31-18-10-22-37-25-31/h1-10,12-18,22,25,32-33H,11,19-21,23-24,26-27H2,(H,38,41)(H,39,42)/t32-,33-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108847
PNG
(CHEMBL162474 | benzyl (S)-4-methyl-1-oxo-1-((S)-3-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1
Show InChI InChI=1S/C33H40N2O4S/c1-25(2)21-30(35-33(38)39-23-28-17-10-5-11-18-28)32(37)34-29(22-27-15-8-4-9-16-27)31(36)24-40-20-12-19-26-13-6-3-7-14-26/h3-11,13-18,25,29-30H,12,19-24H2,1-2H3,(H,34,37)(H,35,38)/t29-,30-/m0/s1
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1n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108847
PNG
(CHEMBL162474 | benzyl (S)-4-methyl-1-oxo-1-((S)-3-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1
Show InChI InChI=1S/C33H40N2O4S/c1-25(2)21-30(35-33(38)39-23-28-17-10-5-11-18-28)32(37)34-29(22-27-15-8-4-9-16-27)31(36)24-40-20-12-19-26-13-6-3-7-14-26/h3-11,13-18,25,29-30H,12,19-24H2,1-2H3,(H,34,37)(H,35,38)/t29-,30-/m0/s1
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1n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108849
PNG
(CHEMBL321974 | {(S)-3-Methyl-1-[(S)-2-oxo-1-phenet...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1
Show InChI InChI=1S/C33H41N3O4S/c1-25(2)21-30(36-33(39)40-23-28-15-9-19-34-22-28)32(38)35-29(18-17-27-13-7-4-8-14-27)31(37)24-41-20-10-16-26-11-5-3-6-12-26/h3-9,11-15,19,22,25,29-30H,10,16-18,20-21,23-24H2,1-2H3,(H,35,38)(H,36,39)/t29-,30-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108849
PNG
(CHEMBL321974 | {(S)-3-Methyl-1-[(S)-2-oxo-1-phenet...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1
Show InChI InChI=1S/C33H41N3O4S/c1-25(2)21-30(36-33(39)40-23-28-15-9-19-34-22-28)32(38)35-29(18-17-27-13-7-4-8-14-27)31(37)24-41-20-10-16-26-11-5-3-6-12-26/h3-9,11-15,19,22,25,29-30H,10,16-18,20-21,23-24H2,1-2H3,(H,35,38)(H,36,39)/t29-,30-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Affinity for cysteine protease (Cruzipain) of Chagas' disease


Bioorg Med Chem Lett 12: 2993-6 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108857
PNG
(CHEMBL160000 | [1-(1-Benzyl-3-tert-butylsulfanyl-2...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C
Show InChI InChI=1S/C28H38N2O4S/c1-20(2)16-24(30-27(33)34-18-22-14-10-7-11-15-22)26(32)29-23(17-21-12-8-6-9-13-21)25(31)19-35-28(3,4)5/h6-15,20,23-24H,16-19H2,1-5H3,(H,29,32)(H,30,33)/t23-,24-/m0/s1
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PubMed
1.30n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108857
PNG
(CHEMBL160000 | [1-(1-Benzyl-3-tert-butylsulfanyl-2...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C
Show InChI InChI=1S/C28H38N2O4S/c1-20(2)16-24(30-27(33)34-18-22-14-10-7-11-15-22)26(32)29-23(17-21-12-8-6-9-13-21)25(31)19-35-28(3,4)5/h6-15,20,23-24H,16-19H2,1-5H3,(H,29,32)(H,30,33)/t23-,24-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108846
PNG
(CHEMBL161038 | [1-(3-tert-Butylsulfanyl-2-oxo-1-ph...)
Show SMILES CC(C)(C)SCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1
Show InChI InChI=1S/C31H37N3O4S/c1-31(2,3)39-22-28(35)26(17-16-23-11-6-4-7-12-23)33-29(36)27(19-24-13-8-5-9-14-24)34-30(37)38-21-25-15-10-18-32-20-25/h4-15,18,20,26-27H,16-17,19,21-22H2,1-3H3,(H,33,36)(H,34,37)/t26-,27-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108855
PNG
(CHEMBL352168 | [1-(3-tert-Butylsulfanyl-2-oxo-1-ph...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSC(C)(C)C
Show InChI InChI=1S/C28H39N3O4S/c1-20(2)16-24(31-27(34)35-18-22-12-9-15-29-17-22)26(33)30-23(25(32)19-36-28(3,4)5)14-13-21-10-7-6-8-11-21/h6-12,15,17,20,23-24H,13-14,16,18-19H2,1-5H3,(H,30,33)(H,31,34)/t23-,24-/m0/s1
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2n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108856
PNG
(CHEMBL103238 | benzyl (S)-1-oxo-1-((S)-3-oxo-1-phe...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C36H38N2O4S/c39-34(27-43-23-13-22-28-14-5-1-6-15-28)32(24-29-16-7-2-8-17-29)37-35(40)33(25-30-18-9-3-10-19-30)38-36(41)42-26-31-20-11-4-12-21-31/h1-12,14-21,32-33H,13,22-27H2,(H,37,40)(H,38,41)/t32-,33-/m0/s1
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2n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108856
PNG
(CHEMBL103238 | benzyl (S)-1-oxo-1-((S)-3-oxo-1-phe...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C36H38N2O4S/c39-34(27-43-23-13-22-28-14-5-1-6-15-28)32(24-29-16-7-2-8-17-29)37-35(40)33(25-30-18-9-3-10-19-30)38-36(41)42-26-31-20-11-4-12-21-31/h1-12,14-21,32-33H,13,22-27H2,(H,37,40)(H,38,41)/t32-,33-/m0/s1
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2n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108856
PNG
(CHEMBL103238 | benzyl (S)-1-oxo-1-((S)-3-oxo-1-phe...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C36H38N2O4S/c39-34(27-43-23-13-22-28-14-5-1-6-15-28)32(24-29-16-7-2-8-17-29)37-35(40)33(25-30-18-9-3-10-19-30)38-36(41)42-26-31-20-11-4-12-21-31/h1-12,14-21,32-33H,13,22-27H2,(H,37,40)(H,38,41)/t32-,33-/m0/s1
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2n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Affinity for cysteine protease (Cruzipain) of Chagas' disease


Bioorg Med Chem Lett 12: 2993-6 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108862
PNG
(CHEMBL161651 | [1-(1-Benzyl-3-tert-butylsulfanyl-2...)
Show SMILES CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H36N2O4S/c1-31(2,3)38-22-28(34)26(19-23-13-7-4-8-14-23)32-29(35)27(20-24-15-9-5-10-16-24)33-30(36)37-21-25-17-11-6-12-18-25/h4-18,26-27H,19-22H2,1-3H3,(H,32,35)(H,33,36)/t26-,27-/m0/s1
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PubMed
2.5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108862
PNG
(CHEMBL161651 | [1-(1-Benzyl-3-tert-butylsulfanyl-2...)
Show SMILES CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H36N2O4S/c1-31(2,3)38-22-28(34)26(19-23-13-7-4-8-14-23)32-29(35)27(20-24-15-9-5-10-16-24)33-30(36)37-21-25-17-11-6-12-18-25/h4-18,26-27H,19-22H2,1-3H3,(H,32,35)(H,33,36)/t26-,27-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108840
PNG
(3-[3-(2-Benzyloxycarbonylamino-3-phenyl-propionyla...)
Show SMILES CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H36N2O6S/c1-2-39-30(36)18-19-41-23-29(35)27(20-24-12-6-3-7-13-24)33-31(37)28(21-25-14-8-4-9-15-25)34-32(38)40-22-26-16-10-5-11-17-26/h3-17,27-28H,2,18-23H2,1H3,(H,33,37)(H,34,38)/t27-,28-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108840
PNG
(3-[3-(2-Benzyloxycarbonylamino-3-phenyl-propionyla...)
Show SMILES CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H36N2O6S/c1-2-39-30(36)18-19-41-23-29(35)27(20-24-12-6-3-7-13-24)33-31(37)28(21-25-14-8-4-9-15-25)34-32(38)40-22-26-16-10-5-11-17-26/h3-17,27-28H,2,18-23H2,1H3,(H,33,37)(H,34,38)/t27-,28-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108852
PNG
(CHEMBL100849 | [(S)-1-((S)-1-Benzyl-2-oxo-3-phenet...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C35H36N2O4S/c38-33(26-42-22-21-27-13-5-1-6-14-27)31(23-28-15-7-2-8-16-28)36-34(39)32(24-29-17-9-3-10-18-29)37-35(40)41-25-30-19-11-4-12-20-30/h1-20,31-32H,21-26H2,(H,36,39)(H,37,40)/t31-,32-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Affinity for cysteine protease (Cruzipain) of Chagas' disease


Bioorg Med Chem Lett 12: 2993-6 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108852
PNG
(CHEMBL100849 | [(S)-1-((S)-1-Benzyl-2-oxo-3-phenet...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C35H36N2O4S/c38-33(26-42-22-21-27-13-5-1-6-14-27)31(23-28-15-7-2-8-16-28)36-34(39)32(24-29-17-9-3-10-18-29)37-35(40)41-25-30-19-11-4-12-20-30/h1-20,31-32H,21-26H2,(H,36,39)(H,37,40)/t31-,32-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108852
PNG
(CHEMBL100849 | [(S)-1-((S)-1-Benzyl-2-oxo-3-phenet...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C35H36N2O4S/c38-33(26-42-22-21-27-13-5-1-6-14-27)31(23-28-15-7-2-8-16-28)36-34(39)32(24-29-17-9-3-10-18-29)37-35(40)41-25-30-19-11-4-12-20-30/h1-20,31-32H,21-26H2,(H,36,39)(H,37,40)/t31-,32-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108854
PNG
(CHEMBL158806 | [1-(1-Benzyl-3-tert-butylsulfanyl-2...)
Show SMILES CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1
Show InChI InChI=1S/C30H35N3O4S/c1-30(2,3)38-21-27(34)25(17-22-11-6-4-7-12-22)32-28(35)26(18-23-13-8-5-9-14-23)33-29(36)37-20-24-15-10-16-31-19-24/h4-16,19,25-26H,17-18,20-21H2,1-3H3,(H,32,35)(H,33,36)/t25-,26-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108863
PNG
(CHEMBL162695 | [1-(1-Benzyl-3-isopropylsulfanyl-2-...)
Show SMILES CC(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C30H34N2O4S/c1-22(2)37-21-28(33)26(18-23-12-6-3-7-13-23)31-29(34)27(19-24-14-8-4-9-15-24)32-30(35)36-20-25-16-10-5-11-17-25/h3-17,22,26-27H,18-21H2,1-2H3,(H,31,34)(H,32,35)/t26-,27-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108863
PNG
(CHEMBL162695 | [1-(1-Benzyl-3-isopropylsulfanyl-2-...)
Show SMILES CC(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C30H34N2O4S/c1-22(2)37-21-28(33)26(18-23-12-6-3-7-13-23)31-29(34)27(19-24-14-8-4-9-15-24)32-30(35)36-20-25-16-10-5-11-17-25/h3-17,22,26-27H,18-21H2,1-2H3,(H,31,34)(H,32,35)/t26-,27-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108874
PNG
(CHEMBL351045 | [1-(1-Benzyl-3-tert-butylsulfanyl-2...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C
Show InChI InChI=1S/C27H37N3O4S/c1-19(2)14-23(30-26(33)34-17-21-12-9-13-28-16-21)25(32)29-22(15-20-10-7-6-8-11-20)24(31)18-35-27(3,4)5/h6-13,16,19,22-23H,14-15,17-18H2,1-5H3,(H,29,32)(H,30,33)/t22-,23-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108866
PNG
((1-{1-Benzyl-3-[1-(2,2-dimethyl-propyl)-1,3,3-trim...)
Show SMILES CC(C)(C)CC(C)(CC(C)(C)C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H52N2O4S/c1-37(2,3)27-39(7,28-38(4,5)6)46-26-34(42)32(23-29-17-11-8-12-18-29)40-35(43)33(24-30-19-13-9-14-20-30)41-36(44)45-25-31-21-15-10-16-22-31/h8-22,32-33H,23-28H2,1-7H3,(H,40,43)(H,41,44)/t32-,33-/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 Trypanosoma cruzi cruzain


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108866
PNG
((1-{1-Benzyl-3-[1-(2,2-dimethyl-propyl)-1,3,3-trim...)
Show SMILES CC(C)(C)CC(C)(CC(C)(C)C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H52N2O4S/c1-37(2,3)27-39(7,28-38(4,5)6)46-26-34(42)32(23-29-17-11-8-12-18-29)40-35(43)33(24-30-19-13-9-14-20-30)41-36(44)45-25-31-21-15-10-16-22-31/h8-22,32-33H,23-28H2,1-7H3,(H,40,43)(H,41,44)/t32-,33-/m0/s1
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5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108858
PNG
(CHEMBL347459 | {1-[2-Oxo-1-phenethyl-3-(3-phenyl-p...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1cccnc1
Show InChI InChI=1S/C36H39N3O4S/c40-34(27-44-23-11-19-28-12-4-1-5-13-28)32(21-20-29-14-6-2-7-15-29)38-35(41)33(24-30-16-8-3-9-17-30)39-36(42)43-26-31-18-10-22-37-25-31/h1-10,12-18,22,25,32-33H,11,19-21,23-24,26-27H2,(H,38,41)(H,39,42)/t32-,33-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108850
PNG
(CHEMBL158567 | {1-[1-Benzyl-2-oxo-3-(3-phenyl-prop...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1cccnc1
Show InChI InChI=1S/C35H37N3O4S/c39-33(26-43-21-11-19-27-12-4-1-5-13-27)31(22-28-14-6-2-7-15-28)37-34(40)32(23-29-16-8-3-9-17-29)38-35(41)42-25-30-18-10-20-36-24-30/h1-10,12-18,20,24,31-32H,11,19,21-23,25-26H2,(H,37,40)(H,38,41)/t31-,32-/m0/s1
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5.5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108873
PNG
(CHEMBL161424 | [1-(1-Benzyl-3-sec-butylsulfanyl-2-...)
Show SMILES CCC(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H36N2O4S/c1-3-23(2)38-22-29(34)27(19-24-13-7-4-8-14-24)32-30(35)28(20-25-15-9-5-10-16-25)33-31(36)37-21-26-17-11-6-12-18-26/h4-18,23,27-28H,3,19-22H2,1-2H3,(H,32,35)(H,33,36)/t23?,27-,28-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108873
PNG
(CHEMBL161424 | [1-(1-Benzyl-3-sec-butylsulfanyl-2-...)
Show SMILES CCC(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H36N2O4S/c1-3-23(2)38-22-29(34)27(19-24-13-7-4-8-14-24)32-30(35)28(20-25-15-9-5-10-16-25)33-31(36)37-21-26-17-11-6-12-18-26/h4-18,23,27-28H,3,19-22H2,1-2H3,(H,32,35)(H,33,36)/t23?,27-,28-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108841
PNG
(CHEMBL161508 | [1-(1-Benzyl-3-cyclohexylsulfanyl-2...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC1CCCCC1)OCc1ccccc1
Show InChI InChI=1S/C33H38N2O4S/c36-31(24-40-28-19-11-4-12-20-28)29(21-25-13-5-1-6-14-25)34-32(37)30(22-26-15-7-2-8-16-26)35-33(38)39-23-27-17-9-3-10-18-27/h1-3,5-10,13-18,28-30H,4,11-12,19-24H2,(H,34,37)(H,35,38)/t29-,30-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108841
PNG
(CHEMBL161508 | [1-(1-Benzyl-3-cyclohexylsulfanyl-2...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC1CCCCC1)OCc1ccccc1
Show InChI InChI=1S/C33H38N2O4S/c36-31(24-40-28-19-11-4-12-20-28)29(21-25-13-5-1-6-14-25)34-32(37)30(22-26-15-7-2-8-16-26)35-33(38)39-23-27-17-9-3-10-18-27/h1-3,5-10,13-18,28-30H,4,11-12,19-24H2,(H,34,37)(H,35,38)/t29-,30-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50375354
PNG
(CHEMBL258808)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)C
Show InChI InChI=1S/C27H36N2O4S/c1-19(2)15-24(29-27(32)33-17-22-13-9-6-10-14-22)26(31)28-23(25(30)18-34-20(3)4)16-21-11-7-5-8-12-21/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,28,31)(H,29,32)/t23-,24-/m0/s1
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7.80n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50375354
PNG
(CHEMBL258808)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)C
Show InChI InChI=1S/C27H36N2O4S/c1-19(2)15-24(29-27(32)33-17-22-13-9-6-10-14-22)26(31)28-23(25(30)18-34-20(3)4)16-21-11-7-5-8-12-21/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,28,31)(H,29,32)/t23-,24-/m0/s1
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7.80n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108864
PNG
(3-[3-(2-Benzyloxycarbonylamino-4-methyl-pentanoyla...)
Show SMILES CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H38N2O6S/c1-4-36-27(33)15-16-38-20-26(32)24(18-22-11-7-5-8-12-22)30-28(34)25(17-21(2)3)31-29(35)37-19-23-13-9-6-10-14-23/h5-14,21,24-25H,4,15-20H2,1-3H3,(H,30,34)(H,31,35)/t24-,25-/m0/s1
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8n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108864
PNG
(3-[3-(2-Benzyloxycarbonylamino-4-methyl-pentanoyla...)
Show SMILES CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H38N2O6S/c1-4-36-27(33)15-16-38-20-26(32)24(18-22-11-7-5-8-12-22)30-28(34)25(17-21(2)3)31-29(35)37-19-23-13-9-6-10-14-23/h5-14,21,24-25H,4,15-20H2,1-3H3,(H,30,34)(H,31,35)/t24-,25-/m0/s1
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8n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108861
PNG
(CHEMBL348117 | benzyl (S)-1-oxo-1-((S)-3-oxo-1-phe...)
Show SMILES CC(C)(C)CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C35H44N2O4S/c1-34(2,3)25-35(4,5)42-24-31(38)29(21-26-15-9-6-10-16-26)36-32(39)30(22-27-17-11-7-12-18-27)37-33(40)41-23-28-19-13-8-14-20-28/h6-20,29-30H,21-25H2,1-5H3,(H,36,39)(H,37,40)/t29-,30-/m0/s1
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10.4n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108861
PNG
(CHEMBL348117 | benzyl (S)-1-oxo-1-((S)-3-oxo-1-phe...)
Show SMILES CC(C)(C)CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C35H44N2O4S/c1-34(2,3)25-35(4,5)42-24-31(38)29(21-26-15-9-6-10-16-26)36-32(39)30(22-27-17-11-7-12-18-27)37-33(40)41-23-28-19-13-8-14-20-28/h6-20,29-30H,21-25H2,1-5H3,(H,36,39)(H,37,40)/t29-,30-/m0/s1
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10.4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108860
PNG
(CHEMBL348163 | [1-(1-Benzyl-3-tert-butylsulfanyl-2...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C
Show InChI InChI=1S/C27H37N3O4S/c1-19(2)15-23(30-26(33)34-17-21-13-9-10-14-28-21)25(32)29-22(16-20-11-7-6-8-12-20)24(31)18-35-27(3,4)5/h6-14,19,22-23H,15-18H2,1-5H3,(H,29,32)(H,30,33)/t22-,23-/m0/s1
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13.8n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108845
PNG
(CHEMBL436227 | [1-(1-Benzyl-3-tert-butylsulfanyl-2...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C
Show InChI InChI=1S/C27H37N3O4S/c1-19(2)15-23(30-26(33)34-17-21-11-13-28-14-12-21)25(32)29-22(16-20-9-7-6-8-10-20)24(31)18-35-27(3,4)5/h6-14,19,22-23H,15-18H2,1-5H3,(H,29,32)(H,30,33)/t22-,23-/m0/s1
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14.1n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108868
PNG
(CHEMBL351721 | [1-(1-Benzyl-3-methylcarbamoylmethy...)
Show SMILES CNC(=O)CSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C30H33N3O5S/c1-31-28(35)21-39-20-27(34)25(17-22-11-5-2-6-12-22)32-29(36)26(18-23-13-7-3-8-14-23)33-30(37)38-19-24-15-9-4-10-16-24/h2-16,25-26H,17-21H2,1H3,(H,31,35)(H,32,36)(H,33,37)/t25-,26-/m0/s1
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15n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108868
PNG
(CHEMBL351721 | [1-(1-Benzyl-3-methylcarbamoylmethy...)
Show SMILES CNC(=O)CSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C30H33N3O5S/c1-31-28(35)21-39-20-27(34)25(17-22-11-5-2-6-12-22)32-29(36)26(18-23-13-7-3-8-14-23)33-30(37)38-19-24-15-9-4-10-16-24/h2-16,25-26H,17-21H2,1H3,(H,31,35)(H,32,36)(H,33,37)/t25-,26-/m0/s1
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15n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50119312
PNG
(CHEMBL316864 | {(S)-1-[2,5-Dioxo-1-(3-phenyl-propy...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N(CCCc2ccccc2)CC1=O)OCc1ccccc1
Show InChI InChI=1S/C31H33N3O5/c35-28-21-34(18-10-17-23-11-4-1-5-12-23)29(36)20-26(28)32-30(37)27(19-24-13-6-2-7-14-24)33-31(38)39-22-25-15-8-3-9-16-25/h1-9,11-16,26-27H,10,17-22H2,(H,32,37)(H,33,38)/t26?,27-/m0/s1
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16n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Affinity for cysteine protease (Cruzipain) of Chagas' disease


Bioorg Med Chem Lett 12: 2993-6 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50119312
PNG
(CHEMBL316864 | {(S)-1-[2,5-Dioxo-1-(3-phenyl-propy...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N(CCCc2ccccc2)CC1=O)OCc1ccccc1
Show InChI InChI=1S/C31H33N3O5/c35-28-21-34(18-10-17-23-11-4-1-5-12-23)29(36)20-26(28)32-30(37)27(19-24-13-6-2-7-14-24)33-31(38)39-22-25-15-8-3-9-16-25/h1-9,11-16,26-27H,10,17-22H2,(H,32,37)(H,33,38)/t26?,27-/m0/s1
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16.3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Affinity for cysteine protease (Cruzipain) of Chagas' disease


Bioorg Med Chem Lett 12: 2993-6 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50229128
PNG
(CHEMBL401401 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phe...)
Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccc3OCCOc3c2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C36H36N2O6S/c1-26-12-14-28(15-13-26)24-32(38-35(39)29-17-19-33-34(25-29)44-22-21-43-33)36(40)37-30(18-16-27-8-4-2-5-9-27)20-23-45(41,42)31-10-6-3-7-11-31/h2-15,17,19-20,23,25,30,32H,16,18,21-22,24H2,1H3,(H,37,40)(H,38,39)/b23-20+/t30-,32-/m0/s1
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19n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108838
PNG
(CHEMBL346190 | benzyl (S)-1-((S)-4-(4-tert-butylbe...)
Show SMILES CC(C)(C)c1ccc(CSCC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C38H42N2O4S/c1-38(2,3)32-21-19-31(20-22-32)26-45-27-35(41)33(23-28-13-7-4-8-14-28)39-36(42)34(24-29-15-9-5-10-16-29)40-37(43)44-25-30-17-11-6-12-18-30/h4-22,33-34H,23-27H2,1-3H3,(H,39,42)(H,40,43)/t33-,34-/m0/s1
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22n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108838
PNG
(CHEMBL346190 | benzyl (S)-1-((S)-4-(4-tert-butylbe...)
Show SMILES CC(C)(C)c1ccc(CSCC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C38H42N2O4S/c1-38(2,3)32-21-19-31(20-22-32)26-45-27-35(41)33(23-28-13-7-4-8-14-28)39-36(42)34(24-29-15-9-5-10-16-29)40-37(43)44-25-30-17-11-6-12-18-30/h4-22,33-34H,23-27H2,1-3H3,(H,39,42)(H,40,43)/t33-,34-/m0/s1
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22n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108867
PNG
(3-{2-Oxo-4-phenyl-3-[3-phenyl-2-(pyridin-3-ylmetho...)
Show SMILES CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1
Show InChI InChI=1S/C31H35N3O6S/c1-2-39-29(36)15-17-41-22-28(35)26(18-23-10-5-3-6-11-23)33-30(37)27(19-24-12-7-4-8-13-24)34-31(38)40-21-25-14-9-16-32-20-25/h3-14,16,20,26-27H,2,15,17-19,21-22H2,1H3,(H,33,37)(H,34,38)/t26-,27-/m0/s1
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22.7n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108875
PNG
(CHEMBL157806 | benzyl (S)-1-((S)-4-(isopentylthio)...)
Show SMILES CC(C)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H38N2O4S/c1-24(2)18-19-39-23-30(35)28(20-25-12-6-3-7-13-25)33-31(36)29(21-26-14-8-4-9-15-26)34-32(37)38-22-27-16-10-5-11-17-27/h3-17,24,28-29H,18-23H2,1-2H3,(H,33,36)(H,34,37)/t28-,29-/m0/s1
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30.1n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108875
PNG
(CHEMBL157806 | benzyl (S)-1-((S)-4-(isopentylthio)...)
Show SMILES CC(C)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H38N2O4S/c1-24(2)18-19-39-23-30(35)28(20-25-12-6-3-7-13-25)33-31(36)29(21-26-14-8-4-9-15-26)34-32(37)38-22-27-16-10-5-11-17-27/h3-17,24,28-29H,18-23H2,1-2H3,(H,33,36)(H,34,37)/t28-,29-/m0/s1
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30.1n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50108839
PNG
(3-{2-Oxo-4-phenyl-3-[3-phenyl-2-(pyridin-2-ylmetho...)
Show SMILES CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccn1
Show InChI InChI=1S/C31H35N3O6S/c1-2-39-29(36)16-18-41-22-28(35)26(19-23-11-5-3-6-12-23)33-30(37)27(20-24-13-7-4-8-14-24)34-31(38)40-21-25-15-9-10-17-32-25/h3-15,17,26-27H,2,16,18-22H2,1H3,(H,33,37)(H,34,38)/t26-,27-/m0/s1
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30.4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi


J Med Chem 45: 676-84 (2002)

More data for this
Ligand-Target Pair
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