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Compile Data Set for Download or QSAR

Found 346 hits of ki data for polymerid = 5122   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cruzipain


(Trypanosoma cruzi)		BDBM50229129
PNG
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34|
Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1
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 0.200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Time dependent inhibition of Trypanosoma cruzi cruzain using Cbz-Phe-Arg-AMC as substrate assessed as inhibition constant for EI complex measured for...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00628
BindingDB Entry DOI: 10.7270/Q2445RC5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50286450
PNG
(CHEMBL128135 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...)
Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H26N2O4/c29-18-23(16-20-10-4-1-5-11-20)27-25(30)24(17-21-12-6-2-7-13-21)28-26(31)32-19-22-14-8-3-9-15-22/h1-15,18,23-24H,16-17,19H2,(H,27,30)(H,28,31)/t23-,24-/m0/s1
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 0.440n/an/an/an/an/an/an/an/a


TBA

Assay Description
Time dependent inhibition of Trypanosoma cruzi cruzain using Cbz-Phe-Arg-AMC as substrate assessed as inhibition constant for EI complex measured for...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00628
BindingDB Entry DOI: 10.7270/Q2445RC5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50201259
PNG
(CHEMBL3907022)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r|
Show InChI InChI=1S/C21H23N3O5/c1-16(12-13-24(27)28)22-20(25)19(14-17-8-4-2-5-9-17)23-21(26)29-15-18-10-6-3-7-11-18/h2-13,16,19H,14-15H2,1H3,(H,22,25)(H,23,26)/b13-12+/t16-,19-/m0/s1
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 0.440n/an/an/an/an/an/an/an/a



Universitat Jaume I

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain

ACS Med Chem Lett 7: 1073-1076 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50581372
PNG
(CHEMBL5079418)
Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=O |r|
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 0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Time dependent inhibition of Trypanosoma cruzi cruzain using Cbz-Phe-Arg-AMC as substrate assessed as inhibition constant for EI complex measured for...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00628
BindingDB Entry DOI: 10.7270/Q2445RC5
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
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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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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 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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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

Bioorg Med Chem 16: 838-53 (2008)


Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF
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)


BindingDB Entry DOI: 10.7270/Q2W37VPP
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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain

Bioorg Med Chem 16: 838-53 (2008)


Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF
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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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
Covalent inhibition of Trypanosoma cruzi cruzipain using Z-Phe-Arg-7-amidomethylcoumarin as substrate measured after 30 mins by fluorometric analysis

Citation and Details

Article DOI: 10.1039/d0md00097c
BindingDB Entry DOI: 10.7270/Q2DJ5K9T
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)		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



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-7-amido-4-methylcoumarin as substrate by fluorometric method

Bioorg Med Chem Lett 27: 5031-5035 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.002
BindingDB Entry DOI: 10.7270/Q2125W7D
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



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-7-amido-4-methylcoumarin as substrate by fluorometric method

Bioorg Med Chem Lett 27: 5031-5035 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.002
BindingDB Entry DOI: 10.7270/Q2125W7D
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)		BDBM50304793
PNG
((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-1-ox...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C20H22N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
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 2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Covalent inhibition of Trypanosoma cruzi cruzipain using Z-Phe-Arg-7-amidomethylcoumarin as substrate measured after 30 mins by fluorometric analysis

Citation and Details

Article DOI: 10.1039/d0md00097c
BindingDB Entry DOI: 10.7270/Q2DJ5K9T
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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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)


BindingDB Entry DOI: 10.7270/Q2W37VPP
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

Bioorg Med Chem 16: 838-53 (2008)


Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50304793
PNG
((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-1-ox...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C20H22N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,22,26)/t18-/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 recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-7-amido-4-methylcoumarin as substrate by fluorometric method

Bioorg Med Chem Lett 27: 5031-5035 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.002
BindingDB Entry DOI: 10.7270/Q2125W7D
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



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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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

Bioorg Med Chem 16: 838-53 (2008)


Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF
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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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

Bioorg Med Chem 16: 838-53 (2008)


Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50514675
PNG
(CHEMBL4472987)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)OCc1ccccc1 |r|
Show InChI InChI=1S/C33H32N2O5S/c36-32(31(24-27-15-7-2-8-16-27)35-33(37)40-25-28-17-9-3-10-18-28)34-29(23-26-13-5-1-6-14-26)21-22-41(38,39)30-19-11-4-12-20-30/h1-22,29,31H,23-25H2,(H,34,36)(H,35,37)/b22-21+/t29-,31+/m1/s1
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 3.60n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured ...

J Med Chem 63: 3298-3316 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02078
BindingDB Entry DOI: 10.7270/Q2PV6PQD
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
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)


BindingDB Entry DOI: 10.7270/Q2W37VPP
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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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

Bioorg Med Chem 16: 838-53 (2008)


Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF
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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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

Bioorg Med Chem 16: 838-53 (2008)


Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF
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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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

Bioorg Med Chem 16: 838-53 (2008)


Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF
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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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

Bioorg Med Chem 16: 838-53 (2008)


Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF
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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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

Bioorg Med Chem 16: 838-53 (2008)


Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF
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

Bioorg Med Chem 16: 838-53 (2008)


Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF
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)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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
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