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PubMed code 27475533

Compile data set for download or QSAR
Found 6 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)
BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Federal University of Alagoas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry


Bioorg Med Chem 24: 4228-4240 (2016)


Article DOI: 10.1016/j.bmc.2016.07.013
BindingDB Entry DOI: 10.7270/Q2CZ393W
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50187500
PNG
(CHEMBL3828526)
Show SMILES CCOC(=O)c1c2CCCCc2sc1\N=c1/scc(-c2ccccc2)n1CC=C
Show InChI InChI=1S/C23H24N2O2S2/c1-3-14-25-18(16-10-6-5-7-11-16)15-28-23(25)24-21-20(22(26)27-4-2)17-12-8-9-13-19(17)29-21/h3,5-7,10-11,15H,1,4,8-9,12-14H2,2H3/b24-23-
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PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Federal University of Alagoas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry


Bioorg Med Chem 24: 4228-4240 (2016)


Article DOI: 10.1016/j.bmc.2016.07.013
BindingDB Entry DOI: 10.7270/Q2CZ393W
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50187498
PNG
(CHEMBL3828195)
Show SMILES CCOC(=O)c1c2CCCCc2sc1\N=C1/SC(CC(O)=O)C(=O)N1CC=C
Show InChI InChI=1S/C19H22N2O5S2/c1-3-9-21-17(24)13(10-14(22)23)28-19(21)20-16-15(18(25)26-4-2)11-7-5-6-8-12(11)27-16/h3,13H,1,4-10H2,2H3,(H,22,23)/b20-19-
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n/an/a 5.00E+4n/an/an/an/an/an/a



Federal University of Alagoas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry


Bioorg Med Chem 24: 4228-4240 (2016)


Article DOI: 10.1016/j.bmc.2016.07.013
BindingDB Entry DOI: 10.7270/Q2CZ393W
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50187496
PNG
(CHEMBL3827174)
Show SMILES CCOC(=O)c1s\c(=N/c2sc3CCCCc3c2C(=O)OCC)n(CC=C)c1C
Show InChI InChI=1S/C21H26N2O4S2/c1-5-12-23-13(4)17(20(25)27-7-3)29-21(23)22-18-16(19(24)26-6-2)14-10-8-9-11-15(14)28-18/h5H,1,6-12H2,2-4H3/b22-21-
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PubMed
n/an/a 8.50E+4n/an/an/an/an/an/a



Federal University of Alagoas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry


Bioorg Med Chem 24: 4228-4240 (2016)


Article DOI: 10.1016/j.bmc.2016.07.013
BindingDB Entry DOI: 10.7270/Q2CZ393W
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50187499
PNG
(CHEMBL3827125)
Show SMILES CC(C)OC(=O)c1c2CCCCc2sc1\N=C1/SC(CC(O)=O)C(=O)N1CC=C
Show InChI InChI=1S/C20H24N2O5S2/c1-4-9-22-18(25)14(10-15(23)24)29-20(22)21-17-16(19(26)27-11(2)3)12-7-5-6-8-13(12)28-17/h4,11,14H,1,5-10H2,2-3H3,(H,23,24)/b21-20-
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PubMed
n/an/a 1.11E+5n/an/an/an/an/an/a



Federal University of Alagoas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry


Bioorg Med Chem 24: 4228-4240 (2016)


Article DOI: 10.1016/j.bmc.2016.07.013
BindingDB Entry DOI: 10.7270/Q2CZ393W
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50187497
PNG
(CHEMBL3827864)
Show SMILES CCOC(=O)c1c2CCCCc2sc1\N=C1/SC(CC(O)=O)C(=O)N1c1ccccc1
Show InChI InChI=1S/C22H22N2O5S2/c1-2-29-21(28)18-14-10-6-7-11-15(14)30-19(18)23-22-24(13-8-4-3-5-9-13)20(27)16(31-22)12-17(25)26/h3-5,8-9,16H,2,6-7,10-12H2,1H3,(H,25,26)/b23-22-
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Article
PubMed
n/an/a 1.21E+5n/an/an/an/an/an/a



Federal University of Alagoas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry


Bioorg Med Chem 24: 4228-4240 (2016)


Article DOI: 10.1016/j.bmc.2016.07.013
BindingDB Entry DOI: 10.7270/Q2CZ393W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%