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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50451627'   
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)
BDBM50451627
PNG
(CHEMBL4213786)
Show SMILES ON=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C19H21N3O4/c23-18(20-11-12-21-25)17(13-15-7-3-1-4-8-15)22-19(24)26-14-16-9-5-2-6-10-16/h1-10,12,17,25H,11,13-14H2,(H,20,23)(H,22,24)/t17-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
100n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-7-amido-4-methylcoumarin as substrate by fluorometric method


Bioorg Med Chem Lett 27: 5031-5035 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.002
BindingDB Entry DOI: 10.7270/Q2125W7D
More data for this
Ligand-Target Pair