BDBM50007622 CHEMBL1346687

SMILES: Cc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1

InChI Key: InChIKey=NTAOUIIDZHRJHI-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 = 50007622   

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)	BDBM50007622 (CHEMBL1346687) Show SMILES Cc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H19N3O2/c1-13-6-2-5-9-16(13)23-12-18(22)19-11-10-17-20-14-7-3-4-8-15(14)21-17/h2-9H,10-12H2,1H3,(H,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+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