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SMILES: COc1cc(C=NNC(=O)c2nc(no2)-c2ccc(Cl)cc2)ccc1O

InChI Key: InChIKey=GCBKBKADIBDGCO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50393873   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
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)
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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