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SMILES: Nc1ccccc1-c1nnc(o1)C(=O)NCc1cccc(c1)N1CCOCC1

InChI Key: InChIKey=UTZNVGFSDKSDKY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50295147   
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)		BDBM50295147
PNG
(5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic ...)
Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)NCc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C20H21N5O3/c21-17-7-2-1-6-16(17)19-23-24-20(28-19)18(26)22-13-14-4-3-5-15(12-14)25-8-10-27-11-9-25/h1-7,12H,8-11,13,21H2,(H,22,26)
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Article
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition

J Med Chem 52: 5005-8 (2010)


Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50
More data for this
Ligand-Target Pair