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PubMed code 25147146

Compile data set for download or QSAR
Found 9 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)
BDBM50058809
PNG
(CHEMBL3329524)
Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc2ccccc2c1)c1ccccn1
Show InChI InChI=1S/C20H16N4S/c1-14(18-8-4-5-11-21-18)23-24-20-22-19(13-25-20)17-10-9-15-6-2-3-7-16(15)12-17/h2-13H,1H3,(H,22,24)/b23-14+
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...


Eur J Med Chem 86: 48-59 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.012
BindingDB Entry DOI: 10.7270/Q2W097M2
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50058806
PNG
(CHEMBL3329519)
Show SMILES COc1ccc(cc1)-c1csc(N\N=C(/C)c2ccccn2)n1
Show InChI InChI=1S/C17H16N4OS/c1-12(15-5-3-4-10-18-15)20-21-17-19-16(11-23-17)13-6-8-14(22-2)9-7-13/h3-11H,1-2H3,(H,19,21)/b20-12+
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...


Eur J Med Chem 86: 48-59 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.012
BindingDB Entry DOI: 10.7270/Q2W097M2
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50058805
PNG
(CHEMBL3329518)
Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(F)cc1)c1ccccn1
Show InChI InChI=1S/C16H13FN4S/c1-11(14-4-2-3-9-18-14)20-21-16-19-15(10-22-16)12-5-7-13(17)8-6-12/h2-10H,1H3,(H,19,21)/b20-11+
PDB
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UniChem

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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...


Eur J Med Chem 86: 48-59 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.012
BindingDB Entry DOI: 10.7270/Q2W097M2
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50058808
PNG
(CHEMBL3329521)
Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)c1ccccn1
Show InChI InChI=1S/C16H12Cl2N4S/c1-10(14-4-2-3-7-19-14)21-22-16-20-15(9-23-16)11-5-6-12(17)13(18)8-11/h2-9H,1H3,(H,20,22)/b21-10+
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Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...


Eur J Med Chem 86: 48-59 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.012
BindingDB Entry DOI: 10.7270/Q2W097M2
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50058804
PNG
(CHEMBL3329515)
Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(C)cc1)c1ccccn1
Show InChI InChI=1S/C17H16N4S/c1-12-6-8-14(9-7-12)16-11-22-17(19-16)21-20-13(2)15-5-3-4-10-18-15/h3-11H,1-2H3,(H,19,21)/b20-13+
PDB
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...


Eur J Med Chem 86: 48-59 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.012
BindingDB Entry DOI: 10.7270/Q2W097M2
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50058802
PNG
(CHEMBL3329513)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1csc(N\N=C\c2ccccn2)n1
Show InChI InChI=1S/C15H11N5O2S/c21-20(22)13-6-3-4-11(8-13)14-10-23-15(18-14)19-17-9-12-5-1-2-7-16-12/h1-10H,(H,18,19)/b17-9+
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CHEMBL
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UniChem

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Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...


Eur J Med Chem 86: 48-59 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.012
BindingDB Entry DOI: 10.7270/Q2W097M2
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50058803
PNG
(CHEMBL2409542)
Show SMILES C\C(=N/Nc1nc(cs1)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C16H14N4S/c1-12(14-9-5-6-10-17-14)19-20-16-18-15(11-21-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,18,20)/b19-12+
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CHEMBL
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UniChem

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Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...


Eur J Med Chem 86: 48-59 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.012
BindingDB Entry DOI: 10.7270/Q2W097M2
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50058807
PNG
(CHEMBL3329520)
Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1Cl)c1ccccn1
Show InChI InChI=1S/C16H12Cl2N4S/c1-10(14-4-2-3-7-19-14)21-22-16-20-15(9-23-16)12-6-5-11(17)8-13(12)18/h2-9H,1H3,(H,20,22)/b21-10+
PDB
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UniChem

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Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...


Eur J Med Chem 86: 48-59 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.012
BindingDB Entry DOI: 10.7270/Q2W097M2
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50058801
PNG
(CHEMBL3329506)
Show SMILES Brc1ccc(cc1)-c1csc(N\N=C\c2ccccn2)n1
Show InChI InChI=1S/C15H11BrN4S/c16-12-6-4-11(5-7-12)14-10-21-15(19-14)20-18-9-13-3-1-2-8-17-13/h1-10H,(H,19,20)/b18-9+
PDB
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 9.50E+3n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...


Eur J Med Chem 86: 48-59 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.012
BindingDB Entry DOI: 10.7270/Q2W097M2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%