BDBM50386179 CHEMBL2042791

SMILES: COc1cc(\C=N\NC(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc(c1O)[N+]([O-])=O

InChI Key: InChIKey=IPLZMCMOVLMPTM-FXIKFWFJSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50386179   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cruzipain (Trypanosoma cruzi)	BDBM50386179 (CHEMBL2042791) Show SMILES COc1cc(\C=N\NC(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc(c1O)[N+]([O-])=O Show InChI InChI=1S/C20H21N3O8/c1-28-15-10-13(7-14(19(15)25)23(26)27)11-21-22-18(24)6-5-12-8-16(29-2)20(31-4)17(9-12)30-3/h5-11,25H,1-4H3,(H,22,24)/b6-5+,21-11+	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.59E+4	n/a	n/a	n/a	n/a	n/a	n/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