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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50386181'   
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)		BDBM50386181
PNG
(CHEMBL2042793)
Show SMILES COc1cc(\C=N\NC(=O)\C=C\c2cc(OC)c(OC)c(c2)[N+]([O-])=O)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C19H18N4O9/c1-30-15-9-12(7-13(18(15)25)22(26)27)10-20-21-17(24)5-4-11-6-14(23(28)29)19(32-3)16(8-11)31-2/h4-10,25H,1-3H3,(H,21,24)/b5-4+,20-10+
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Similars
Article
PubMed
n/an/a 4.47E+4n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos - Farmanguinhos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi C-terminally truncated cruzain expressed in Escherichia coli using Z-Phe-Arg-AMC as substrate incubated for 5 mins pr...

Eur J Med Chem 54: 512-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.041
BindingDB Entry DOI: 10.7270/Q2HM59HT
More data for this
Ligand-Target Pair