BDBM50007624 CHEMBL3233089

SMILES: Brc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1

InChI Key: InChIKey=SEMDAOTWMGQJDD-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 = 50007624   

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)	BDBM50007624 (CHEMBL3233089) Show SMILES Brc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C17H16BrN3O2/c18-12-5-7-13(8-6-12)23-11-17(22)19-10-9-16-20-14-3-1-2-4-15(14)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair