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PubMed code 20961766

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)
BDBM50114613
PNG
((1E)-1-(3-bromophenyl)propan-1-one thiosemicarbazo...)
Show SMILES CCC(=NNC(N)=S)c1cccc(Br)c1 |w:3.3|
Show InChI InChI=1S/C10H12BrN3S/c1-2-9(13-14-10(12)15)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H3,12,14,15)
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

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



Federal University of Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins


Bioorg Med Chem 18: 7826-35 (2010)


Article DOI: 10.1016/j.bmc.2010.09.056
BindingDB Entry DOI: 10.7270/Q2CV4J17
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50330929
PNG
(2-[(p-Methylphenyl)thiopropylidenehydrazinyl]-5-me...)
Show SMILES Cc1sc(N=NCCCSc2ccccc2)nc1S |w:4.3|
Show InChI InChI=1S/C13H15N3S3/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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Federal University of Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins


Bioorg Med Chem 18: 7826-35 (2010)


Article DOI: 10.1016/j.bmc.2010.09.056
BindingDB Entry DOI: 10.7270/Q2CV4J17
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50114653
PNG
((1E)-1-(3,4-dichlorophenyl)ethan-1-one thiosemicar...)
Show SMILES CC(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:2.2|
Show InChI InChI=1S/C9H9Cl2N3S/c1-5(13-14-9(12)15)6-2-3-7(10)8(11)4-6/h2-4H,1H3,(H3,12,14,15)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Federal University of Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins


Bioorg Med Chem 18: 7826-35 (2010)


Article DOI: 10.1016/j.bmc.2010.09.056
BindingDB Entry DOI: 10.7270/Q2CV4J17
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50330926
PNG
(2-[(p-Chlorophenylthio)propylide-1-enehydrazinyl]-...)
Show SMILES Cc1sc(N=NCCCSc2ccc(Cl)cc2)nc1O |w:4.3|
Show InChI InChI=1S/C13H14ClN3OS2/c1-9-12(18)16-13(20-9)17-15-7-2-8-19-11-5-3-10(14)4-6-11/h3-6,18H,2,7-8H2,1H3
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Federal University of Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins


Bioorg Med Chem 18: 7826-35 (2010)


Article DOI: 10.1016/j.bmc.2010.09.056
BindingDB Entry DOI: 10.7270/Q2CV4J17
More data for this
Ligand-Target Pair
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
PDB
MMDB

UniProtKB/SwissProt

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

Similars

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



Federal University of Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins


Bioorg Med Chem 18: 7826-35 (2010)


Article DOI: 10.1016/j.bmc.2010.09.056
BindingDB Entry DOI: 10.7270/Q2CV4J17
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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.04E+4n/an/an/an/an/an/a



Federal University of Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins


Bioorg Med Chem 18: 7826-35 (2010)


Article DOI: 10.1016/j.bmc.2010.09.056
BindingDB Entry DOI: 10.7270/Q2CV4J17
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%