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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'feitosa' and Initial = 'lo'   
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)
BDBM50386184
PNG
(CHEMBL2042801)
Show SMILES COc1ccc2cc(O)c(cc2c1)C(=O)NN=Cc1c(O)ccc2ccccc12 |w:17.19|
Show InChI InChI=1S/C23H18N2O4/c1-29-17-8-6-15-12-22(27)19(11-16(15)10-17)23(28)25-24-13-20-18-5-3-2-4-14(18)7-9-21(20)26/h2-13,26-27H,1H3,(H,25,28)
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n/an/a 600n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos - Farmanguinhos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Eur J Med Chem 54: 512-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.041
BindingDB Entry DOI: 10.7270/Q2HM59HT
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50386183
PNG
(CHEMBL507837)
Show SMILES Brc1ccc(cc1)C(=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C16H11BrO3/c17-13-5-3-12(4-6-13)14(18)7-1-11-2-8-15-16(9-11)20-10-19-15/h1-9H,10H2/b7-1+
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n/an/a 2.00E+4n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos - Farmanguinhos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Eur J Med Chem 54: 512-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.041
BindingDB Entry DOI: 10.7270/Q2HM59HT
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50386181
PNG
(CHEMBL2042793)
Show SMILES COc1cc(\C=N\NC(=O)\C=C\c2cc(OC)c(OC)c(c2)[N+]([O-])=O)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C19H18N4O9/c1-30-15-9-12(7-13(18(15)25)22(26)27)10-20-21-17(24)5-4-11-6-14(23(28)29)19(32-3)16(8-11)31-2/h4-10,25H,1-3H3,(H,21,24)/b5-4+,20-10+
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n/an/a 4.47E+4n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos - Farmanguinhos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi C-terminally truncated cruzain expressed in Escherichia coli using Z-Phe-Arg-AMC as substrate incubated for 5 mins pr...


Eur J Med Chem 54: 512-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.041
BindingDB Entry DOI: 10.7270/Q2HM59HT
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50386179
PNG
(CHEMBL2042791)
Show SMILES COc1cc(\C=N\NC(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C20H21N3O8/c1-28-15-10-13(7-14(19(15)25)23(26)27)11-21-22-18(24)6-5-12-8-16(29-2)20(31-4)17(9-12)30-3/h5-11,25H,1-4H3,(H,22,24)/b6-5+,21-11+
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n/an/a 4.59E+4n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos - Farmanguinhos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi C-terminally truncated cruzain expressed in Escherichia coli using Z-Phe-Arg-AMC as substrate incubated for 5 mins pr...


Eur J Med Chem 54: 512-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.041
BindingDB Entry DOI: 10.7270/Q2HM59HT
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50386185
PNG
(CHEMBL2042780)
Show SMILES Oc1ccccc1\C=N\NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C16H14N2O2/c19-15-9-5-4-8-14(15)12-17-18-16(20)11-10-13-6-2-1-3-7-13/h1-12,19H,(H,18,20)/b11-10+,17-12+
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n/an/a 5.22E+4n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos - Farmanguinhos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi C-terminally truncated cruzain expressed in Escherichia coli using Z-Phe-Arg-AMC as substrate incubated for 5 mins pr...


Eur J Med Chem 54: 512-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.041
BindingDB Entry DOI: 10.7270/Q2HM59HT
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50386186
PNG
(CHEMBL2042788)
Show SMILES Oc1ccccc1\C=N\NC(=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C17H14N2O4/c20-14-4-2-1-3-13(14)10-18-19-17(21)8-6-12-5-7-15-16(9-12)23-11-22-15/h1-10,20H,11H2,(H,19,21)/b8-6+,18-10+
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n/an/a 7.48E+4n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos - Farmanguinhos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi C-terminally truncated cruzain expressed in Escherichia coli using Z-Phe-Arg-AMC as substrate incubated for 5 mins pr...


Eur J Med Chem 54: 512-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.041
BindingDB Entry DOI: 10.7270/Q2HM59HT
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50386180
PNG
(CHEMBL2042792)
Show SMILES COc1cc(\C=C\C(=O)N\N=C\c2ccccc2O)cc(c1OC)[N+]([O-])=O
Show InChI InChI=1S/C18H17N3O6/c1-26-16-10-12(9-14(21(24)25)18(16)27-2)7-8-17(23)20-19-11-13-5-3-4-6-15(13)22/h3-11,22H,1-2H3,(H,20,23)/b8-7+,19-11+
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n/an/a 8.39E+4n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos - Farmanguinhos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi C-terminally truncated cruzain expressed in Escherichia coli using Z-Phe-Arg-AMC as substrate incubated for 5 mins pr...


Eur J Med Chem 54: 512-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.041
BindingDB Entry DOI: 10.7270/Q2HM59HT
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50386182
PNG
(CHEMBL2042797)
Show SMILES Oc1ccccc1\C=N\NC(=O)CCc1ccccc1
Show InChI InChI=1S/C16H16N2O2/c19-15-9-5-4-8-14(15)12-17-18-16(20)11-10-13-6-2-1-3-7-13/h1-9,12,19H,10-11H2,(H,18,20)/b17-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos - Farmanguinhos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi C-terminally truncated cruzain expressed in Escherichia coli using Z-Phe-Arg-AMC as substrate incubated for 5 mins pr...


Eur J Med Chem 54: 512-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.041
BindingDB Entry DOI: 10.7270/Q2HM59HT
More data for this
Ligand-Target Pair