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PubMed code 23167554

Compile data set for download or QSAR
Found 28 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)		BDBM50330928
PNG
(2-[(Phenylthio)propylide-1-enehydrazinyl]-5-methyl...)
Show SMILES Cc1sc(N=NCCCSc2ccccc2)nc1O |w:4.3|
Show InChI InChI=1S/C13H15N3OS2/c1-10-12(17)15-13(19-10)16-14-8-5-9-18-11-6-3-2-4-7-11/h2-4,6-7,17H,5,8-9H2,1H3
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n/an/a 400n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50400185
PNG
(CHEMBL2180342)
Show SMILES CC(C)C1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:7.6,5.18|
Show InChI InChI=1S/C21H23N3O2S/c1-15(2)19-20(25)24(17-10-6-4-7-11-17)21(27-19)23-22-16(3)14-26-18-12-8-5-9-13-18/h4-13,15,19H,14H2,1-3H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50400195
PNG
(CHEMBL2180344)
Show SMILES CC(COc1ccccc1)=NN=C1SC(C(=S)N1c1ccccc1)c1ccccc1 |w:10.11,12.18|
Show InChI InChI=1S/C24H21N3OS2/c1-18(17-28-21-15-9-4-10-16-21)25-26-24-27(20-13-7-3-8-14-20)23(29)22(30-24)19-11-5-2-6-12-19/h2-16,22H,17H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50400188
PNG
(CHEMBL2180670)
Show SMILES CC(C)c1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:7.6|
Show InChI InChI=1S/C16H21N3O2S/c1-11(2)14-15(20)19(4)16(22-14)18-17-12(3)10-21-13-8-6-5-7-9-13/h5-9,11,20H,10H2,1-4H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50400197
PNG
(CHEMBL2180347)
Show SMILES CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccc(OC)cc1 |w:6.5,4.17|
Show InChI InChI=1S/C21H23N3O3S/c1-4-19-20(25)24(16-10-12-17(26-3)13-11-16)21(28-19)23-22-15(2)14-27-18-8-6-5-7-9-18/h5-13,19H,4,14H2,1-3H3
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n/an/a 8.70E+3n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50400186
PNG
(CHEMBL2180341)
Show SMILES CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:6.5,4.17|
Show InChI InChI=1S/C20H21N3O2S/c1-3-18-19(24)23(16-10-6-4-7-11-16)20(26-18)22-21-15(2)14-25-17-12-8-5-9-13-17/h4-13,18H,3,14H2,1-2H3
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n/an/a 9.50E+3n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50400187
PNG
(CHEMBL2180339)
Show SMILES CC(COc1ccccc1)=NN=C1SCC(=O)N1c1ccccc1 |w:10.11,12.18|
Show InChI InChI=1S/C18H17N3O2S/c1-14(12-23-16-10-6-3-7-11-16)19-20-18-21(17(22)13-24-18)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3
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n/an/a 1.02E+4n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50400195
PNG
(CHEMBL2180344)
Show SMILES CC(COc1ccccc1)=NN=C1SC(C(=S)N1c1ccccc1)c1ccccc1 |w:10.11,12.18|
Show InChI InChI=1S/C24H21N3OS2/c1-18(17-28-21-15-9-4-10-16-21)25-26-24-27(20-13-7-3-8-14-20)23(29)22(30-24)19-11-5-2-6-12-19/h2-16,22H,17H2,1H3
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n/an/a 1.08E+4n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50400196
PNG
(CHEMBL2180340)
Show SMILES CC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:5.4,3.16|
Show InChI InChI=1S/C19H19N3O2S/c1-14(13-24-17-11-7-4-8-12-17)20-21-19-22(18(23)15(2)25-19)16-9-5-3-6-10-16/h3-12,15H,13H2,1-2H3
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n/an/a 1.08E+4n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50400194
PNG
(CHEMBL2180346)
Show SMILES CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccc(C)cc1 |w:6.5,4.17|
Show InChI InChI=1S/C21H23N3O2S/c1-4-19-20(25)24(17-12-10-15(2)11-13-17)21(27-19)23-22-16(3)14-26-18-8-6-5-7-9-18/h5-13,19H,4,14H2,1-3H3
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n/an/a 1.18E+4n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50400193
PNG
(CHEMBL2180345)
Show SMILES CCc1sc(N=NC(C)COc2ccccc2)nc1S |w:6.6|
Show InChI InChI=1S/C14H17N3OS2/c1-3-12-13(19)15-14(20-12)17-16-10(2)9-18-11-7-5-4-6-8-11/h4-8,10,19H,3,9H2,1-2H3
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n/an/a 1.38E+4n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50400193
PNG
(CHEMBL2180345)
Show SMILES CCc1sc(N=NC(C)COc2ccccc2)nc1S |w:6.6|
Show InChI InChI=1S/C14H17N3OS2/c1-3-12-13(19)15-14(20-12)17-16-10(2)9-18-11-7-5-4-6-8-11/h4-8,10,19H,3,9H2,1-2H3
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n/an/a 1.87E+4n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50400192
PNG
(CHEMBL2180665)
Show SMILES CC(COc1ccccc1)N=Nc1nc(O)c(s1)C(C)C |w:10.10|
Show InChI InChI=1S/C15H19N3O2S/c1-10(2)13-14(19)16-15(21-13)18-17-11(3)9-20-12-7-5-4-6-8-12/h4-8,10-11,19H,9H2,1-3H3
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n/an/a 1.89E+4n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50400191
PNG
(CHEMBL2180349)
Show SMILES CC(COc1ccccc1)N=Nc1nc(cs1)-c1ccccc1 |w:10.10|
Show InChI InChI=1S/C18H17N3OS/c1-14(12-22-16-10-6-3-7-11-16)20-21-18-19-17(13-23-18)15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate at 20 uM preincubated for 10 mins before substrate addition

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50330927
PNG
(2-[(p-Methylphenylthio)ethylidenehydrazinyl]-5-met...)
Show SMILES Cc1sc(N=NCCSc2ccc(C)cc2)nc1O |w:4.3|
Show InChI InChI=1S/C13H15N3OS2/c1-9-3-5-11(6-4-9)18-8-7-14-16-13-15-12(17)10(2)19-13/h3-6,17H,7-8H2,1-2H3
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n/an/a 2.04E+4n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50400189
PNG
(CHEMBL2180669)
Show SMILES CCc1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:6.5|
Show InChI InChI=1S/C15H19N3O2S/c1-4-13-14(19)18(3)15(21-13)17-16-11(2)10-20-12-8-6-5-7-9-12/h5-9,19H,4,10H2,1-3H3
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n/an/a 3.19E+4n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50400187
PNG
(CHEMBL2180339)
Show SMILES CC(COc1ccccc1)=NN=C1SCC(=O)N1c1ccccc1 |w:10.11,12.18|
Show InChI InChI=1S/C18H17N3O2S/c1-14(12-23-16-10-6-3-7-11-16)19-20-18-21(17(22)13-24-18)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant cathepsin S using ZFR-pNA as substrate preincubated for 45 mins

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50400188
PNG
(CHEMBL2180670)
Show SMILES CC(C)c1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:7.6|
Show InChI InChI=1S/C16H21N3O2S/c1-11(2)14-15(20)19(4)16(22-14)18-17-12(3)10-21-13-8-6-5-7-9-13/h5-9,11,20H,10H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant cathepsin S using ZFR-pNA as substrate preincubated for 45 mins

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50400187
PNG
(CHEMBL2180339)
Show SMILES CC(COc1ccccc1)=NN=C1SCC(=O)N1c1ccccc1 |w:10.11,12.18|
Show InChI InChI=1S/C18H17N3O2S/c1-14(12-23-16-10-6-3-7-11-16)19-20-18-21(17(22)13-24-18)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50400186
PNG
(CHEMBL2180341)
Show SMILES CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:6.5,4.17|
Show InChI InChI=1S/C20H21N3O2S/c1-3-18-19(24)23(16-10-6-4-7-11-16)20(26-18)22-21-15(2)14-25-17-12-8-5-9-13-17/h4-13,18H,3,14H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50400189
PNG
(CHEMBL2180669)
Show SMILES CCc1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:6.5|
Show InChI InChI=1S/C15H19N3O2S/c1-4-13-14(19)18(3)15(21-13)17-16-11(2)10-20-12-8-6-5-7-9-12/h5-9,19H,4,10H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50400190
PNG
(CHEMBL2180354)
Show SMILES CC(COc1ccccc1)N=Nc1nc(O)cs1 |w:10.10|
Show InChI InChI=1S/C12H13N3O2S/c1-9(7-17-10-5-3-2-4-6-10)14-15-12-13-11(16)8-18-12/h2-6,8-9,16H,7H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50400190
PNG
(CHEMBL2180354)
Show SMILES CC(COc1ccccc1)N=Nc1nc(O)cs1 |w:10.10|
Show InChI InChI=1S/C12H13N3O2S/c1-9(7-17-10-5-3-2-4-6-10)14-15-12-13-11(16)8-18-12/h2-6,8-9,16H,7H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant cathepsin S using ZFR-pNA as substrate preincubated for 45 mins

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50400189
PNG
(CHEMBL2180669)
Show SMILES CCc1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:6.5|
Show InChI InChI=1S/C15H19N3O2S/c1-4-13-14(19)18(3)15(21-13)17-16-11(2)10-20-12-8-6-5-7-9-12/h5-9,19H,4,10H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant cathepsin S using ZFR-pNA as substrate preincubated for 45 mins

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50400185
PNG
(CHEMBL2180342)
Show SMILES CC(C)C1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:7.6,5.18|
Show InChI InChI=1S/C21H23N3O2S/c1-15(2)19-20(25)24(17-10-6-4-7-11-17)21(27-19)23-22-16(3)14-26-18-12-8-5-9-13-18/h4-13,15,19H,14H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50400188
PNG
(CHEMBL2180670)
Show SMILES CC(C)c1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:7.6|
Show InChI InChI=1S/C16H21N3O2S/c1-11(2)14-15(20)19(4)16(22-14)18-17-12(3)10-21-13-8-6-5-7-9-13/h5-9,11,20H,10H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50400185
PNG
(CHEMBL2180342)
Show SMILES CC(C)C1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:7.6,5.18|
Show InChI InChI=1S/C21H23N3O2S/c1-15(2)19-20(25)24(17-10-6-4-7-11-17)21(27-19)23-22-16(3)14-26-18-12-8-5-9-13-18/h4-13,15,19H,14H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant cathepsin S using ZFR-pNA as substrate preincubated for 45 mins

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50400186
PNG
(CHEMBL2180341)
Show SMILES CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:6.5,4.17|
Show InChI InChI=1S/C20H21N3O2S/c1-3-18-19(24)23(16-10-6-4-7-11-16)20(26-18)22-21-15(2)14-25-17-12-8-5-9-13-17/h4-13,18H,3,14H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant cathepsin S using ZFR-pNA as substrate preincubated for 45 mins

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%