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PubMed code 18996017

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)
BDBM50246505
PNG
(2-(N'-4-chloro-benzylidenehydrazino)-4-trifluorome...)
Show SMILES FC(F)(F)c1ccnc(N=NCc2ccc(Cl)cc2)n1 |w:9.8|
Show InChI InChI=1S/C12H8ClF3N4/c13-9-3-1-8(2-4-9)7-18-20-11-17-6-5-10(19-11)12(14,15)16/h1-6H,7H2
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.50E+4n/an/an/an/an/an/a



Universidade Federal de Santa Maria

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi C-terminal truncated cruzain expressed in DH5alpha Escherichia coli by well-microplate spectrophotometry


Bioorg Med Chem 16: 10236-43 (2008)


Article DOI: 10.1016/j.bmc.2008.10.052
BindingDB Entry DOI: 10.7270/Q2PC327Q
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50246506
PNG
(2-(N'-4-methoxy-benzylidenehydrazino)-4-trifluorom...)
Show SMILES COc1ccc(CN=Nc2nccc(n2)C(F)(F)F)cc1 |w:8.8|
Show InChI InChI=1S/C13H11F3N4O/c1-21-10-4-2-9(3-5-10)8-18-20-12-17-7-6-11(19-12)13(14,15)16/h2-7H,8H2,1H3
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Santa Maria

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi C-terminal truncated cruzain expressed in DH5alpha Escherichia coli by well-microplate spectrophotometry


Bioorg Med Chem 16: 10236-43 (2008)


Article DOI: 10.1016/j.bmc.2008.10.052
BindingDB Entry DOI: 10.7270/Q2PC327Q
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50246508
PNG
(2-(N'-2-Methyl-benzylidenehydrazino)-6-methyl-4-tr...)
Show SMILES Cc1cc(nc(N=NCc2ccccc2C)n1)C(F)(F)F |w:6.5|
Show InChI InChI=1S/C14H13F3N4/c1-9-5-3-4-6-11(9)8-18-21-13-19-10(2)7-12(20-13)14(15,16)17/h3-7H,8H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Santa Maria

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi C-terminal truncated cruzain expressed in DH5alpha Escherichia coli by well-microplate spectrophotometry


Bioorg Med Chem 16: 10236-43 (2008)


Article DOI: 10.1016/j.bmc.2008.10.052
BindingDB Entry DOI: 10.7270/Q2PC327Q
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50246463
PNG
(2-(N'-2-Methyl-benzylidenehydrazino)-4-trifluorome...)
Show SMILES Cc1ccccc1CN=Nc1nccc(n1)C(F)(F)F |w:9.10|
Show InChI InChI=1S/C13H11F3N4/c1-9-4-2-3-5-10(9)8-18-20-12-17-7-6-11(19-12)13(14,15)16/h2-7H,8H2,1H3
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Santa Maria

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi C-terminal truncated cruzain expressed in DH5alpha Escherichia coli by well-microplate spectrophotometry


Bioorg Med Chem 16: 10236-43 (2008)


Article DOI: 10.1016/j.bmc.2008.10.052
BindingDB Entry DOI: 10.7270/Q2PC327Q
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50246504
PNG
(2-(N'-4-Methyl-benzylidenehydrazino)-4-trifluorome...)
Show SMILES Cc1ccc(CN=Nc2nccc(n2)C(F)(F)F)cc1 |w:7.7|
Show InChI InChI=1S/C13H11F3N4/c1-9-2-4-10(5-3-9)8-18-20-12-17-7-6-11(19-12)13(14,15)16/h2-7H,8H2,1H3
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Santa Maria

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi C-terminal truncated cruzain expressed in DH5alpha Escherichia coli by well-microplate spectrophotometry


Bioorg Med Chem 16: 10236-43 (2008)


Article DOI: 10.1016/j.bmc.2008.10.052
BindingDB Entry DOI: 10.7270/Q2PC327Q
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50246507
PNG
(2-(N'-4-Nitro-benzylidenehydrazino)-4-trifluoromet...)
Show SMILES [O-][N+](=O)c1ccc(CN=Nc2nccc(n2)C(F)(F)F)cc1 |w:9.9|
Show InChI InChI=1S/C12H8F3N5O2/c13-12(14,15)10-5-6-16-11(18-10)19-17-7-8-1-3-9(4-2-8)20(21)22/h1-6H,7H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Universidade Federal de Santa Maria

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi C-terminal truncated cruzain expressed in DH5alpha Escherichia coli by well-microplate spectrophotometry


Bioorg Med Chem 16: 10236-43 (2008)


Article DOI: 10.1016/j.bmc.2008.10.052
BindingDB Entry DOI: 10.7270/Q2PC327Q
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50245873
PNG
(2-(N'-4-chloro-benzylidenehydrazino)-6-methyl-4-tr...)
Show SMILES Cc1cc(nc(N=NCc2ccc(Cl)cc2)n1)C(F)(F)F |w:6.5|
Show InChI InChI=1S/C13H10ClF3N4/c1-8-6-11(13(15,16)17)20-12(19-8)21-18-7-9-2-4-10(14)5-3-9/h2-6H,7H2,1H3
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Universidade Federal de Santa Maria

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi C-terminal truncated cruzain expressed in DH5alpha Escherichia coli by well-microplate spectrophotometry


Bioorg Med Chem 16: 10236-43 (2008)


Article DOI: 10.1016/j.bmc.2008.10.052
BindingDB Entry DOI: 10.7270/Q2PC327Q
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50246509
PNG
(2-(N'-2-Methoxy-benzylidenehydrazino)-6-methyl-4-t...)
Show SMILES COc1ccccc1CN=Nc1nc(C)cc(n1)C(F)(F)F |w:10.11|
Show InChI InChI=1S/C14H13F3N4O/c1-9-7-12(14(15,16)17)20-13(19-9)21-18-8-10-5-3-4-6-11(10)22-2/h3-7H,8H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



Universidade Federal de Santa Maria

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi C-terminal truncated cruzain expressed in DH5alpha Escherichia coli by well-microplate spectrophotometry


Bioorg Med Chem 16: 10236-43 (2008)


Article DOI: 10.1016/j.bmc.2008.10.052
BindingDB Entry DOI: 10.7270/Q2PC327Q
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50246462
PNG
(2-(N'-Benzylidenehydrazino)-4-trifluoromethylpyrim...)
Show SMILES FC(F)(F)c1ccnc(N=NCc2ccccc2)n1 |w:9.8|
Show InChI InChI=1S/C12H9F3N4/c13-12(14,15)10-6-7-16-11(18-10)19-17-8-9-4-2-1-3-5-9/h1-7H,8H2
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



Universidade Federal de Santa Maria

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi C-terminal truncated cruzain expressed in DH5alpha Escherichia coli by well-microplate spectrophotometry


Bioorg Med Chem 16: 10236-43 (2008)


Article DOI: 10.1016/j.bmc.2008.10.052
BindingDB Entry DOI: 10.7270/Q2PC327Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%