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PubMed code 23006639

Compile data set for download or QSAR
Found 3 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)
BDBM50393871
PNG
(CHEMBL2158234)
Show SMILES Brc1ccc(cc1)-c1noc(n1)C(=O)NN=Cc1ccc2OCOc2c1 |w:16.18|
Show InChI InChI=1S/C17H11BrN4O4/c18-12-4-2-11(3-5-12)15-20-17(26-22-15)16(23)21-19-8-10-1-6-13-14(7-10)25-9-24-13/h1-8H,9H2,(H,21,23)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate after 10 mins


Bioorg Med Chem 20: 6423-33 (2012)


Article DOI: 10.1016/j.bmc.2012.08.047
BindingDB Entry DOI: 10.7270/Q2W95B8D
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50393873
PNG
(CHEMBL2158132)
Show SMILES COc1cc(C=NNC(=O)c2nc(no2)-c2ccc(Cl)cc2)ccc1O |w:5.4|
Show InChI InChI=1S/C17H13ClN4O4/c1-25-14-8-10(2-7-13(14)23)9-19-21-16(24)17-20-15(22-26-17)11-3-5-12(18)6-4-11/h2-9,23H,1H3,(H,21,24)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

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



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate after 10 mins


Bioorg Med Chem 20: 6423-33 (2012)


Article DOI: 10.1016/j.bmc.2012.08.047
BindingDB Entry DOI: 10.7270/Q2W95B8D
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50393872
PNG
(CHEMBL2158133)
Show SMILES COc1cc(C=NNC(=O)c2nc(no2)-c2ccc(Br)cc2)ccc1O |w:5.4|
Show InChI InChI=1S/C17H13BrN4O4/c1-25-14-8-10(2-7-13(14)23)9-19-21-16(24)17-20-15(22-26-17)11-3-5-12(18)6-4-11/h2-9,23H,1H3,(H,21,24)
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



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate after 10 mins


Bioorg Med Chem 20: 6423-33 (2012)


Article DOI: 10.1016/j.bmc.2012.08.047
BindingDB Entry DOI: 10.7270/Q2W95B8D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%