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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50007633'   
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)
BDBM50007633
PNG
(CHEMBL3233115)
Show SMILES Clc1ccccc1OCC(=O)NCCc1nc2ccccc2n1CCC=C
Show InChI InChI=1S/C21H22ClN3O2/c1-2-3-14-25-18-10-6-5-9-17(18)24-20(25)12-13-23-21(26)15-27-19-11-7-4-8-16(19)22/h2,4-11H,1,3,12-15H2,(H,23,26)
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

n/an/a 2.39E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50007633
PNG
(CHEMBL3233115)
Show SMILES Clc1ccccc1OCC(=O)NCCc1nc2ccccc2n1CCC=C
Show InChI InChI=1S/C21H22ClN3O2/c1-2-3-14-25-18-10-6-5-9-17(18)24-20(25)12-13-23-21(26)15-27-19-11-7-4-8-16(19)22/h2,4-11H,1,3,12-15H2,(H,23,26)
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 2.39E+4n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins


J Med Chem 57: 2380-92 (2014)


Article DOI: 10.1021/jm401709b
BindingDB Entry DOI: 10.7270/Q2GT5PPC
More data for this
Ligand-Target Pair