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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50421523'   
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)
BDBM50421523
PNG
(CHEMBL40119)
Show SMILES COc1cc(OC)cc(c1)C(=O)N\N=C\c1ccc(o1)C(O)=O
Show InChI InChI=1S/C15H14N2O6/c1-21-11-5-9(6-12(7-11)22-2)14(18)17-16-8-10-3-4-13(23-10)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)/b16-8+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi


Bioorg Med Chem Lett 12: 1537-41 (2002)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2W37XGT
More data for this
Ligand-Target Pair