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PubMed code 19637873

Compile data set for download or QSAR
Found 104 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cruzipain


(Trypanosoma cruzi)
BDBM50295154
PNG
(2-(2,5-dichlorophenylamino)-2-oxoethyl 2-aminonico...)
Show SMILES Nc1ncccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C14H11Cl2N3O3/c15-8-3-4-10(16)11(6-8)19-12(20)7-22-14(21)9-2-1-5-18-13(9)17/h1-6H,7H2,(H2,17,18)(H,19,20)
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UniChem
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PubMed
3.20E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Competitive inhibition of Trypanosoma cruzi cruzain by Lineaweaver-Burk plot analysis


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295129
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1
Show InChI InChI=1S/C19H16N6O3/c1-27-12-8-6-11(7-9-12)15-10-16(23-22-15)21-17(26)19-25-24-18(28-19)13-4-2-3-5-14(13)20/h2-10H,20H2,1H3,(H2,21,22,23,26)
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PubMed
n/an/a>200n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295129
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1
Show InChI InChI=1S/C19H16N6O3/c1-27-12-8-6-11(7-9-12)15-10-16(23-22-15)21-17(26)19-25-24-18(28-19)13-4-2-3-5-14(13)20/h2-10H,20H2,1H3,(H2,21,22,23,26)
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PubMed
n/an/a 200n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295129
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1
Show InChI InChI=1S/C19H16N6O3/c1-27-12-8-6-11(7-9-12)15-10-16(23-22-15)21-17(26)19-25-24-18(28-19)13-4-2-3-5-14(13)20/h2-10H,20H2,1H3,(H2,21,22,23,26)
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n/an/a 200n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295130
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Cc1ccc(cc1)-c1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1
Show InChI InChI=1S/C19H16N6O2/c1-11-6-8-12(9-7-11)15-10-16(23-22-15)21-17(26)19-25-24-18(27-19)13-4-2-3-5-14(13)20/h2-10H,20H2,1H3,(H2,21,22,23,26)
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PubMed
n/an/a 500n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295130
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Cc1ccc(cc1)-c1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1
Show InChI InChI=1S/C19H16N6O2/c1-11-6-8-12(9-7-11)15-10-16(23-22-15)21-17(26)19-25-24-18(27-19)13-4-2-3-5-14(13)20/h2-10H,20H2,1H3,(H2,21,22,23,26)
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PubMed
n/an/a>500n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295130
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Cc1ccc(cc1)-c1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1
Show InChI InChI=1S/C19H16N6O2/c1-11-6-8-12(9-7-11)15-10-16(23-22-15)21-17(26)19-25-24-18(27-19)13-4-2-3-5-14(13)20/h2-10H,20H2,1H3,(H2,21,22,23,26)
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PubMed
n/an/a 500n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295103
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C18H14N6O2/c19-13-9-5-4-8-12(13)17-23-24-18(26-17)16(25)20-15-10-14(21-22-15)11-6-2-1-3-7-11/h1-10H,19H2,(H2,20,21,22,25)
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PubMed
n/an/a 800n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295103
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C18H14N6O2/c19-13-9-5-4-8-12(13)17-23-24-18(26-17)16(25)20-15-10-14(21-22-15)11-6-2-1-3-7-11/h1-10H,19H2,(H2,20,21,22,25)
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PubMed
n/an/a>800n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295103
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C18H14N6O2/c19-13-9-5-4-8-12(13)17-23-24-18(26-17)16(25)20-15-10-14(21-22-15)11-6-2-1-3-7-11/h1-10H,19H2,(H2,20,21,22,25)
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PubMed
n/an/a 800n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295104
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1cc(n[nH]1)-c1cccs1
Show InChI InChI=1S/C16H12N6O2S/c17-10-5-2-1-4-9(10)15-21-22-16(24-15)14(23)18-13-8-11(19-20-13)12-6-3-7-25-12/h1-8H,17H2,(H2,18,19,20,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295104
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1cc(n[nH]1)-c1cccs1
Show InChI InChI=1S/C16H12N6O2S/c17-10-5-2-1-4-9(10)15-21-22-16(24-15)14(23)18-13-8-11(19-20-13)12-6-3-7-25-12/h1-8H,17H2,(H2,18,19,20,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295104
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1cc(n[nH]1)-c1cccs1
Show InChI InChI=1S/C16H12N6O2S/c17-10-5-2-1-4-9(10)15-21-22-16(24-15)14(23)18-13-8-11(19-20-13)12-6-3-7-25-12/h1-8H,17H2,(H2,18,19,20,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295109
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1ccc2oc3CCCCc3c2c1
Show InChI InChI=1S/C21H18N4O3/c22-16-7-3-1-6-14(16)20-24-25-21(28-20)19(26)23-12-9-10-18-15(11-12)13-5-2-4-8-17(13)27-18/h1,3,6-7,9-11H,2,4-5,8,22H2,(H,23,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295106
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES CC(C)(C)c1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1
Show InChI InChI=1S/C16H18N6O2/c1-16(2,3)11-8-12(20-19-11)18-13(23)15-22-21-14(24-15)9-6-4-5-7-10(9)17/h4-8H,17H2,1-3H3,(H2,18,19,20,23)
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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295109
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1ccc2oc3CCCCc3c2c1
Show InChI InChI=1S/C21H18N4O3/c22-16-7-3-1-6-14(16)20-24-25-21(28-20)19(26)23-12-9-10-18-15(11-12)13-5-2-4-8-17(13)27-18/h1,3,6-7,9-11H,2,4-5,8,22H2,(H,23,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295118
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1csc(n1)-c1cccs1
Show InChI InChI=1S/C17H13N5O2S2/c18-12-5-2-1-4-11(12)15-21-22-16(24-15)14(23)19-8-10-9-26-17(20-10)13-6-3-7-25-13/h1-7,9H,8,18H2,(H,19,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295106
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES CC(C)(C)c1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1
Show InChI InChI=1S/C16H18N6O2/c1-16(2,3)11-8-12(20-19-11)18-13(23)15-22-21-14(24-15)9-6-4-5-7-10(9)17/h4-8H,17H2,1-3H3,(H2,18,19,20,23)
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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295109
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1ccc2oc3CCCCc3c2c1
Show InChI InChI=1S/C21H18N4O3/c22-16-7-3-1-6-14(16)20-24-25-21(28-20)19(26)23-12-9-10-18-15(11-12)13-5-2-4-8-17(13)27-18/h1,3,6-7,9-11H,2,4-5,8,22H2,(H,23,26)
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n/an/a>2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295106
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES CC(C)(C)c1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1
Show InChI InChI=1S/C16H18N6O2/c1-16(2,3)11-8-12(20-19-11)18-13(23)15-22-21-14(24-15)9-6-4-5-7-10(9)17/h4-8H,17H2,1-3H3,(H2,18,19,20,23)
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PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295118
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1csc(n1)-c1cccs1
Show InChI InChI=1S/C17H13N5O2S2/c18-12-5-2-1-4-11(12)15-21-22-16(24-15)14(23)19-8-10-9-26-17(20-10)13-6-3-7-25-13/h1-7,9H,8,18H2,(H,19,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295155
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES COc1ccc(NC(=O)c2nnc(o2)-c2ccccc2N)c(OC)c1
Show InChI InChI=1S/C17H16N4O4/c1-23-10-7-8-13(14(9-10)24-2)19-15(22)17-21-20-16(25-17)11-5-3-4-6-12(11)18/h3-9H,18H2,1-2H3,(H,19,22)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295131
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1nc(cs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H12ClN5O2S/c19-11-7-5-10(6-8-11)14-9-27-18(21-14)22-15(25)17-24-23-16(26-17)12-3-1-2-4-13(12)20/h1-9H,20H2,(H,21,22,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295115
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1nnc(s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H11ClN6O2S/c18-10-7-5-9(6-8-10)16-23-24-17(27-16)20-13(25)15-22-21-14(26-15)11-3-1-2-4-12(11)19/h1-8H,19H2,(H,20,24,25)
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295115
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1nnc(s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H11ClN6O2S/c18-10-7-5-9(6-8-10)16-23-24-17(27-16)20-13(25)15-22-21-14(26-15)11-3-1-2-4-12(11)19/h1-8H,19H2,(H,20,24,25)
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295105
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Cc1cc2cc(NC(=O)c3nnc(o3)-c3ccccc3N)ccc2[nH]1
Show InChI InChI=1S/C18H15N5O2/c1-10-8-11-9-12(6-7-15(11)20-10)21-16(24)18-23-22-17(25-18)13-4-2-3-5-14(13)19/h2-9,20H,19H2,1H3,(H,21,24)
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295121
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C22H18N4O3/c23-19-9-5-4-8-18(19)21-25-26-22(29-21)20(27)24-14-15-10-12-17(13-11-15)28-16-6-2-1-3-7-16/h1-13H,14,23H2,(H,24,27)
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295132
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1cccc2nsnc12
Show InChI InChI=1S/C16H12N6O2S/c17-11-6-2-1-5-10(11)15-19-20-16(24-15)14(23)18-8-9-4-3-7-12-13(9)22-25-21-12/h1-7H,8,17H2,(H,18,23)
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295133
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C17H14N4O4/c18-12-4-2-1-3-11(12)16-20-21-17(25-16)15(22)19-8-10-5-6-13-14(7-10)24-9-23-13/h1-7H,8-9,18H2,(H,19,22)
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295121
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C22H18N4O3/c23-19-9-5-4-8-18(19)21-25-26-22(29-21)20(27)24-14-15-10-12-17(13-11-15)28-16-6-2-1-3-7-16/h1-13H,14,23H2,(H,24,27)
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295105
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Cc1cc2cc(NC(=O)c3nnc(o3)-c3ccccc3N)ccc2[nH]1
Show InChI InChI=1S/C18H15N5O2/c1-10-8-11-9-12(6-7-15(11)20-10)21-16(24)18-23-22-17(25-18)13-4-2-3-5-14(13)19/h2-9,20H,19H2,1H3,(H,21,24)
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295107
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1cccc(c1)N1CCCC1
Show InChI InChI=1S/C19H19N5O2/c20-16-9-2-1-8-15(16)18-22-23-19(26-18)17(25)21-13-6-5-7-14(12-13)24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11,20H2,(H,21,25)
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295134
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Cc1nn(nc1CNC(=O)c1nnc(o1)-c1ccccc1N)-c1ccccc1
Show InChI InChI=1S/C19H17N7O2/c1-12-16(25-26(24-12)13-7-3-2-4-8-13)11-21-17(27)19-23-22-18(28-19)14-9-5-6-10-15(14)20/h2-10H,11,20H2,1H3,(H,21,27)
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295107
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1cccc(c1)N1CCCC1
Show InChI InChI=1S/C19H19N5O2/c20-16-9-2-1-8-15(16)18-22-23-19(26-18)17(25)21-13-6-5-7-14(12-13)24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11,20H2,(H,21,25)
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295107
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1cccc(c1)N1CCCC1
Show InChI InChI=1S/C19H19N5O2/c20-16-9-2-1-8-15(16)18-22-23-19(26-18)17(25)21-13-6-5-7-14(12-13)24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11,20H2,(H,21,25)
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n/an/a>7.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295108
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES COc1ccc(OC)c(CNC(=O)c2nnc(o2)-c2ccccc2N)c1
Show InChI InChI=1S/C18H18N4O4/c1-24-12-7-8-15(25-2)11(9-12)10-20-16(23)18-22-21-17(26-18)13-5-3-4-6-14(13)19/h3-9H,10,19H2,1-2H3,(H,20,23)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295138
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccc(Cn2cccn2)cc1
Show InChI InChI=1S/C20H18N6O2/c21-17-5-2-1-4-16(17)19-24-25-20(28-19)18(27)22-12-14-6-8-15(9-7-14)13-26-11-3-10-23-26/h1-11H,12-13,21H2,(H,22,27)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295108
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES COc1ccc(OC)c(CNC(=O)c2nnc(o2)-c2ccccc2N)c1
Show InChI InChI=1S/C18H18N4O4/c1-24-12-7-8-15(25-2)11(9-12)10-20-16(23)18-22-21-17(26-18)13-5-3-4-6-14(13)19/h3-9H,10,19H2,1-2H3,(H,20,23)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295117
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C16H12Cl2N4O2/c17-11-5-3-6-12(18)10(11)8-20-14(23)16-22-21-15(24-16)9-4-1-2-7-13(9)19/h1-7H,8,19H2,(H,20,23)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295117
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C16H12Cl2N4O2/c17-11-5-3-6-12(18)10(11)8-20-14(23)16-22-21-15(24-16)9-4-1-2-7-13(9)19/h1-7H,8,19H2,(H,20,23)
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n/an/a>8.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295108
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES COc1ccc(OC)c(CNC(=O)c2nnc(o2)-c2ccccc2N)c1
Show InChI InChI=1S/C18H18N4O4/c1-24-12-7-8-15(25-2)11(9-12)10-20-16(23)18-22-21-17(26-18)13-5-3-4-6-14(13)19/h3-9H,10,19H2,1-2H3,(H,20,23)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295137
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H12F4N4O2/c18-12-7-9(5-6-11(12)17(19,20)21)8-23-14(26)16-25-24-15(27-16)10-3-1-2-4-13(10)22/h1-7H,8,22H2,(H,23,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295110
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Cc1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1
Show InChI InChI=1S/C13H12N6O2/c1-7-6-10(17-16-7)15-11(20)13-19-18-12(21-13)8-4-2-3-5-9(8)14/h2-6H,14H2,1H3,(H2,15,16,17,20)
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n/an/a>1.10E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295136
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C18H16N4O2/c19-15-8-4-3-7-14(15)17-21-22-18(24-17)16(23)20-13-9-11-5-1-2-6-12(11)10-13/h1-8,13H,9-10,19H2,(H,20,23)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295110
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Cc1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1
Show InChI InChI=1S/C13H12N6O2/c1-7-6-10(17-16-7)15-11(20)13-19-18-12(21-13)8-4-2-3-5-9(8)14/h2-6H,14H2,1H3,(H2,15,16,17,20)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295136
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C18H16N4O2/c19-15-8-4-3-7-14(15)17-21-22-18(24-17)16(23)20-13-9-11-5-1-2-6-12(11)10-13/h1-8,13H,9-10,19H2,(H,20,23)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295110
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Cc1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1
Show InChI InChI=1S/C13H12N6O2/c1-7-6-10(17-16-7)15-11(20)13-19-18-12(21-13)8-4-2-3-5-9(8)14/h2-6H,14H2,1H3,(H2,15,16,17,20)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295123
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C16H20N4O2/c17-13-10-6-5-9-12(13)15-19-20-16(22-15)14(21)18-11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8,17H2,(H,18,21)
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295123
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C16H20N4O2/c17-13-10-6-5-9-12(13)15-19-20-16(22-15)14(21)18-11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8,17H2,(H,18,21)
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295141
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Cc1ccc(CNC(=O)c2nnc(o2)-c2ccccc2N)o1
Show InChI InChI=1S/C15H14N4O3/c1-9-6-7-10(21-9)8-17-13(20)15-19-18-14(22-15)11-4-2-3-5-12(11)16/h2-7H,8,16H2,1H3,(H,17,20)
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295152
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1cccc(c1)-n1cccn1
Show InChI InChI=1S/C19H16N6O2/c20-16-8-2-1-7-15(16)18-23-24-19(27-18)17(26)21-12-13-5-3-6-14(11-13)25-10-4-9-22-25/h1-11H,12,20H2,(H,21,26)
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295135
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H14N6O2/c18-11-6-2-1-5-10(11)16-22-23-17(25-16)15(24)19-9-14-20-12-7-3-4-8-13(12)21-14/h1-8H,9,18H2,(H,19,24)(H,20,21)
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295142
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C18H16N4O2/c19-14-8-4-3-7-13(14)17-21-22-18(24-17)16(23)20-15-10-9-11-5-1-2-6-12(11)15/h1-8,15H,9-10,19H2,(H,20,23)
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295119
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES CC(NC(=O)c1nnc(o1)-c1ccccc1N)C12CC3CC(CC(C3)C1)C2 |TLB:1:17:20:24.23.22,THB:1:17:20.19.24:22,18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C21H26N4O2/c1-12(21-9-13-6-14(10-21)8-15(7-13)11-21)23-18(26)20-25-24-19(27-20)16-4-2-3-5-17(16)22/h2-5,12-15H,6-11,22H2,1H3,(H,23,26)
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295119
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES CC(NC(=O)c1nnc(o1)-c1ccccc1N)C12CC3CC(CC(C3)C1)C2 |TLB:1:17:20:24.23.22,THB:1:17:20.19.24:22,18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C21H26N4O2/c1-12(21-9-13-6-14(10-21)8-15(7-13)11-21)23-18(26)20-25-24-19(27-20)16-4-2-3-5-17(16)22/h2-5,12-15H,6-11,22H2,1H3,(H,23,26)
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295139
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccnc(c1)N1CCSCC1
Show InChI InChI=1S/C19H20N6O2S/c20-15-4-2-1-3-14(15)18-23-24-19(27-18)17(26)22-12-13-5-6-21-16(11-13)25-7-9-28-10-8-25/h1-6,11H,7-10,12,20H2,(H,22,26)
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295156
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C15H18N4O2/c16-12-9-5-4-8-11(12)14-18-19-15(21-14)13(20)17-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,16H2,(H,17,20)
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295154
PNG
(2-(2,5-dichlorophenylamino)-2-oxoethyl 2-aminonico...)
Show SMILES Nc1ncccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C14H11Cl2N3O3/c15-8-3-4-10(16)11(6-8)19-12(20)7-22-14(21)9-2-1-5-18-13(9)17/h1-6H,7H2,(H2,17,18)(H,19,20)
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295154
PNG
(2-(2,5-dichlorophenylamino)-2-oxoethyl 2-aminonico...)
Show SMILES Nc1ncccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C14H11Cl2N3O3/c15-8-3-4-10(16)11(6-8)19-12(20)7-22-14(21)9-2-1-5-18-13(9)17/h1-6H,7H2,(H2,17,18)(H,19,20)
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295146
PNG
(5-(2-aminophenyl)-N-((1R,2S)-2-hydroxy-2,3-dihydro...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)N[C@H]1[C@@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C18H16N4O3/c19-13-8-4-3-7-12(13)17-21-22-18(25-17)16(24)20-15-11-6-2-1-5-10(11)9-14(15)23/h1-8,14-15,23H,9,19H2,(H,20,24)/t14-,15+/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295147
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C20H21N5O3/c21-17-7-2-1-6-16(17)19-23-24-20(28-19)18(26)22-13-14-4-3-5-15(12-14)25-8-10-27-11-9-25/h1-7,12H,8-11,13,21H2,(H,22,26)
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295148
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES CC1C2CCC(C)(C2)C1NC(=O)c1nnc(o1)-c1ccccc1N |TLB:9:8:4.3:7,THB:0:1:4.3:7|
Show InChI InChI=1S/C18H22N4O2/c1-10-11-7-8-18(2,9-11)14(10)20-15(23)17-22-21-16(24-17)12-5-3-4-6-13(12)19/h3-6,10-11,14H,7-9,19H2,1-2H3,(H,20,23)
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295143
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2nnc(o2)-c2ccccc2N)cc1
Show InChI InChI=1S/C19H21N5O2/c1-3-24(4-2)14-11-9-13(10-12-14)21-17(25)19-23-22-18(26-19)15-7-5-6-8-16(15)20/h5-12H,3-4,20H2,1-2H3,(H,21,25)
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295145
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccccc1N1CCOCC1
Show InChI InChI=1S/C20H21N5O3/c21-16-7-3-2-6-15(16)19-23-24-20(28-19)18(26)22-13-14-5-1-4-8-17(14)25-9-11-27-12-10-25/h1-8H,9-13,21H2,(H,22,26)
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295140
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H12N6O2/c17-12-4-2-1-3-11(12)15-21-22-16(24-15)14(23)19-10-5-6-13-9(7-10)8-18-20-13/h1-8H,17H2,(H,18,20)(H,19,23)
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295144
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccccc1OC1CCOCC1
Show InChI InChI=1S/C21H22N4O4/c22-17-7-3-2-6-16(17)20-24-25-21(29-20)19(26)23-13-14-5-1-4-8-18(14)28-15-9-11-27-12-10-15/h1-8,15H,9-13,22H2,(H,23,26)
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n/an/a 4.20E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295108
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES COc1ccc(OC)c(CNC(=O)c2nnc(o2)-c2ccccc2N)c1
Show InChI InChI=1S/C18H18N4O4/c1-24-12-7-8-15(25-2)11(9-12)10-20-16(23)18-22-21-17(26-18)13-5-3-4-6-14(13)19/h3-9H,10,19H2,1-2H3,(H,20,23)
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% bovine serum albumin


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295149
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1cccc(F)c1CNC(=O)c1nnc(o1)-c1ccccc1N
Show InChI InChI=1S/C16H14FN5O2/c17-11-5-3-7-13(19)10(11)8-20-14(23)16-22-21-15(24-16)9-4-1-2-6-12(9)18/h1-7H,8,18-19H2,(H,20,23)
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n/an/a 5.20E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295157
PNG
(CHEMBL559770 | [(2,5-dichlorophenyl)carbamoyl]meth...)
Show SMILES Nc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C15H12Cl2N2O3/c16-9-5-6-11(17)13(7-9)19-14(20)8-22-15(21)10-3-1-2-4-12(10)18/h1-7H,8,18H2,(H,19,20)
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n/an/a 5.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295122
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C19H19N5O3/c20-16-4-2-1-3-15(16)18-22-23-19(27-18)17(25)21-13-5-7-14(8-6-13)24-9-11-26-12-10-24/h1-8H,9-12,20H2,(H,21,25)
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n/an/a 6.20E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295122
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C19H19N5O3/c20-16-4-2-1-3-15(16)18-22-23-19(27-18)17(25)21-13-5-7-14(8-6-13)24-9-11-26-12-10-24/h1-8H,9-12,20H2,(H,21,25)
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n/an/a 6.20E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295154
PNG
(2-(2,5-dichlorophenylamino)-2-oxoethyl 2-aminonico...)
Show SMILES Nc1ncccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C14H11Cl2N3O3/c15-8-3-4-10(16)11(6-8)19-12(20)7-22-14(21)9-2-1-5-18-13(9)17/h1-6H,7H2,(H2,17,18)(H,19,20)
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n/an/a 7.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295116
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccnc(c1)N1CCOCC1
Show InChI InChI=1S/C19H20N6O3/c20-15-4-2-1-3-14(15)18-23-24-19(28-18)17(26)22-12-13-5-6-21-16(11-13)25-7-9-27-10-8-25/h1-6,11H,7-10,12,20H2,(H,22,26)
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n/an/a 8.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295116
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccnc(c1)N1CCOCC1
Show InChI InChI=1S/C19H20N6O3/c20-15-4-2-1-3-14(15)18-23-24-19(28-18)17(26)22-12-13-5-6-21-16(11-13)25-7-9-27-10-8-25/h1-6,11H,7-10,12,20H2,(H,22,26)
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n/an/a 8.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295158
PNG
(2-(1-(4-bromophenyl)propylamino)-2-oxoethyl 2-amin...)
Show SMILES CCC(NC(=O)COC(=O)c1cccnc1N)c1ccc(Br)cc1
Show InChI InChI=1S/C17H18BrN3O3/c1-2-14(11-5-7-12(18)8-6-11)21-15(22)10-24-17(23)13-4-3-9-20-16(13)19/h3-9,14H,2,10H2,1H3,(H2,19,20)(H,21,22)
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n/an/a 8.40E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295159
PNG
(2-(cycloheptylamino)-2-oxoethyl 2-aminonicotinate ...)
Show SMILES Nc1ncccc1C(=O)OCC(=O)NC1CCCCCC1
Show InChI InChI=1S/C15H21N3O3/c16-14-12(8-5-9-17-14)15(20)21-10-13(19)18-11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10H2,(H2,16,17)(H,18,19)
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n/an/a 8.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295124
PNG
(2-(3-carbamoylthiophen-2-ylamino)-2-oxoethyl 2-ami...)
Show SMILES NC(=O)c1ccsc1NC(=O)COC(=O)c1cc(Br)ccc1N
Show InChI InChI=1S/C14H12BrN3O4S/c15-7-1-2-10(16)9(5-7)14(21)22-6-11(19)18-13-8(12(17)20)3-4-23-13/h1-5H,6,16H2,(H2,17,20)(H,18,19)
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n/an/a 9.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295107
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1cccc(c1)N1CCCC1
Show InChI InChI=1S/C19H19N5O2/c20-16-9-2-1-8-15(16)18-22-23-19(26-18)17(25)21-13-6-5-7-14(12-13)24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11,20H2,(H,21,25)
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n/an/a 9.90E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% bovine serum albumin


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295101
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NC1CCNCC1
Show InChI InChI=1S/C14H17N5O2/c15-11-4-2-1-3-10(11)13-18-19-14(21-13)12(20)17-9-5-7-16-8-6-9/h1-4,9,16H,5-8,15H2,(H,17,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295113
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCCCN1CCCC1=O
Show InChI InChI=1S/C16H19N5O3/c17-12-6-2-1-5-11(12)15-19-20-16(24-15)14(23)18-8-4-10-21-9-3-7-13(21)22/h1-2,5-6H,3-4,7-10,17H2,(H,18,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295112
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C15H19N5O3/c16-12-4-2-1-3-11(12)14-18-19-15(23-14)13(21)17-5-6-20-7-9-22-10-8-20/h1-4H,5-10,16H2,(H,17,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295114
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Cn1ccc(NC(=O)c2nnc(o2)-c2ccccc2N)n1
Show InChI InChI=1S/C13H12N6O2/c1-19-7-6-10(18-19)15-11(20)13-17-16-12(21-13)8-4-2-3-5-9(8)14/h2-7H,14H2,1H3,(H,15,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295111
PNG
(5-(2-aminophenyl)-N-(((S)-1-ethylpyrrolidin-2-yl)m...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1nnc(o1)-c1ccccc1N |r|
Show InChI InChI=1S/C16H21N5O2/c1-2-21-9-5-6-11(21)10-18-14(22)16-20-19-15(23-16)12-7-3-4-8-13(12)17/h3-4,7-8,11H,2,5-6,9-10,17H2,1H3,(H,18,22)/t11-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295112
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C15H19N5O3/c16-12-4-2-1-3-11(12)14-18-19-15(23-14)13(21)17-5-6-20-7-9-22-10-8-20/h1-4H,5-10,16H2,(H,17,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295105
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Cc1cc2cc(NC(=O)c3nnc(o3)-c3ccccc3N)ccc2[nH]1
Show InChI InChI=1S/C18H15N5O2/c1-10-8-11-9-12(6-7-15(11)20-10)21-16(24)18-23-22-17(25-18)13-4-2-3-5-14(13)19/h2-9,20H,19H2,1H3,(H,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295120
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Cn1nccc1NC(=O)c1nnc(o1)-c1ccccc1N
Show InChI InChI=1S/C13H12N6O2/c1-19-10(6-7-15-19)16-11(20)13-18-17-12(21-13)8-4-2-3-5-9(8)14/h2-7H,14H2,1H3,(H,16,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295120
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Cn1nccc1NC(=O)c1nnc(o1)-c1ccccc1N
Show InChI InChI=1S/C13H12N6O2/c1-19-10(6-7-15-19)16-11(20)13-18-17-12(21-13)8-4-2-3-5-9(8)14/h2-7H,14H2,1H3,(H,16,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295102
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C15H16N6O2/c16-12-5-2-1-4-11(12)14-19-20-15(23-14)13(22)18-6-3-8-21-9-7-17-10-21/h1-2,4-5,7,9-10H,3,6,8,16H2,(H,18,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295113
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCCCN1CCCC1=O
Show InChI InChI=1S/C16H19N5O3/c17-12-6-2-1-5-11(12)15-19-20-16(24-15)14(23)18-8-4-10-21-9-3-7-13(21)22/h1-2,5-6H,3-4,7-10,17H2,(H,18,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295114
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Cn1ccc(NC(=O)c2nnc(o2)-c2ccccc2N)n1
Show InChI InChI=1S/C13H12N6O2/c1-19-7-6-10(18-19)15-11(20)13-17-16-12(21-13)8-4-2-3-5-9(8)14/h2-7H,14H2,1H3,(H,15,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295151
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCCN1CCNC1=O
Show InChI InChI=1S/C14H16N6O3/c15-10-4-2-1-3-9(10)12-18-19-13(23-12)11(21)16-5-7-20-8-6-17-14(20)22/h1-4H,5-8,15H2,(H,16,21)(H,17,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295150
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)N[C@H]1CCCCNC1=O |r|
Show InChI InChI=1S/C15H17N5O3/c16-10-6-2-1-5-9(10)14-19-20-15(23-14)13(22)18-11-7-3-4-8-17-12(11)21/h1-2,5-6,11H,3-4,7-8,16H2,(H,17,21)(H,18,22)/t11-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295153
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES COc1cc(CNC(=O)c2nnc(o2)-c2ccccc2N)cc(OC)c1OC
Show InChI InChI=1S/C19H20N4O5/c1-25-14-8-11(9-15(26-2)16(14)27-3)10-21-17(24)19-23-22-18(28-19)12-6-4-5-7-13(12)20/h4-9H,10,20H2,1-3H3,(H,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295114
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Cn1ccc(NC(=O)c2nnc(o2)-c2ccccc2N)n1
Show InChI InChI=1S/C13H12N6O2/c1-19-7-6-10(18-19)15-11(20)13-17-16-12(21-13)8-4-2-3-5-9(8)14/h2-7H,14H2,1H3,(H,15,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295111
PNG
(5-(2-aminophenyl)-N-(((S)-1-ethylpyrrolidin-2-yl)m...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1nnc(o1)-c1ccccc1N |r|
Show InChI InChI=1S/C16H21N5O2/c1-2-21-9-5-6-11(21)10-18-14(22)16-20-19-15(23-16)12-7-3-4-8-13(12)17/h3-4,7-8,11H,2,5-6,9-10,17H2,1H3,(H,18,22)/t11-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295112
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C15H19N5O3/c16-12-4-2-1-3-11(12)14-18-19-15(23-14)13(21)17-5-6-20-7-9-22-10-8-20/h1-4H,5-10,16H2,(H,17,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295111
PNG
(5-(2-aminophenyl)-N-(((S)-1-ethylpyrrolidin-2-yl)m...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1nnc(o1)-c1ccccc1N |r|
Show InChI InChI=1S/C16H21N5O2/c1-2-21-9-5-6-11(21)10-18-14(22)16-20-19-15(23-16)12-7-3-4-8-13(12)17/h3-4,7-8,11H,2,5-6,9-10,17H2,1H3,(H,18,22)/t11-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295113
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCCCN1CCCC1=O
Show InChI InChI=1S/C16H19N5O3/c17-12-6-2-1-5-11(12)15-19-20-16(24-15)14(23)18-8-4-10-21-9-3-7-13(21)22/h1-2,5-6H,3-4,7-10,17H2,(H,18,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295104
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)Nc1cc(n[nH]1)-c1cccs1
Show InChI InChI=1S/C16H12N6O2S/c17-10-5-2-1-4-9(10)15-21-22-16(24-15)14(23)18-13-8-11(19-20-13)12-6-3-7-25-12/h1-8H,17H2,(H2,18,19,20,23)
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n/an/a 1.02E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% bovine serum albumin


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295154
PNG
(2-(2,5-dichlorophenylamino)-2-oxoethyl 2-aminonico...)
Show SMILES Nc1ncccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C14H11Cl2N3O3/c15-8-3-4-10(16)11(6-8)19-12(20)7-22-14(21)9-2-1-5-18-13(9)17/h1-6H,7H2,(H2,17,18)(H,19,20)
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n/an/a 1.16E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% bovine serum albumin


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295125
PNG
(2-(2-(difluoromethoxy)phenylamino)-2-oxoethyl 2-am...)
Show SMILES Nc1ncccc1C(=O)OCC(=O)Nc1ccccc1OC(F)F
Show InChI InChI=1S/C15H13F2N3O4/c16-15(17)24-11-6-2-1-5-10(11)20-12(21)8-23-14(22)9-4-3-7-19-13(9)18/h1-7,15H,8H2,(H2,18,19)(H,20,21)
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n/an/a 1.26E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295126
PNG
(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-ylamino)-2-oxo...)
Show SMILES Nc1ncccc1C(=O)OCC(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C16H15N3O5/c17-15-11(2-1-5-18-15)16(21)24-9-14(20)19-10-3-4-12-13(8-10)23-7-6-22-12/h1-5,8H,6-7,9H2,(H2,17,18)(H,19,20)
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n/an/a 1.82E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295128
PNG
(2-(2,5-dichlorophenylamino)-2-oxoethyl picolinate ...)
Show SMILES Clc1ccc(Cl)c(NC(=O)COC(=O)c2ccccn2)c1
Show InChI InChI=1S/C14H10Cl2N2O3/c15-9-4-5-10(16)12(7-9)18-13(19)8-21-14(20)11-3-1-2-6-17-11/h1-7H,8H2,(H,18,19)
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Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50295127
PNG
(2-(2,5-dichlorophenylamino)-2-oxoethyl 3-methylben...)
Show SMILES Cc1cccc(c1)C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C16H13Cl2NO3/c1-10-3-2-4-11(7-10)16(21)22-9-15(20)19-14-8-12(17)5-6-13(14)18/h2-8H,9H2,1H3,(H,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100


J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%