BDBM50421531 CHEMBL39255

SMILES: [O-][N+](=O)c1cccc(c1)-c1ccc([CH+][N-]NC(=O)c2ccc3ccccc3c2)o1

InChI Key: InChIKey=UTJVZQIQJAVXNH-UHFFFAOYSA-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 = 50421531   

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)	BDBM50421531 (CHEMBL39255) Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc([CH+][N-]NC(=O)c2ccc3ccccc3c2)o1 Show InChI InChI=1S/C22H15N3O4/c26-22(18-9-8-15-4-1-2-5-16(15)12-18)24-23-14-20-10-11-21(29-20)17-6-3-7-19(13-17)25(27)28/h1-14H,(H,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair