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SMILES: CC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1

InChI Key: InChIKey=VYQGJUFDIVWVNR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50400196   
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)		BDBM50400196
PNG
(CHEMBL2180340)
Show SMILES CC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:5.4,3.16|
Show InChI InChI=1S/C19H19N3O2S/c1-14(13-24-17-11-7-4-8-12-17)20-21-19-22(18(23)15(2)25-19)16-9-5-3-6-10-16/h3-12,15H,13H2,1-2H3
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Article
PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition

J Med Chem 55: 10918-36 (2012)


Article DOI: 10.1021/jm301518v
BindingDB Entry DOI: 10.7270/Q22Z16N8
More data for this
Ligand-Target Pair