BDBM50035282 CHEMBL3343337

SMILES: COc1n(CCCCCO)nc2ccccc12

InChI Key: InChIKey=NLXHSSDICCHMHT-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 = 50035282   

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
Myeloperoxidase (MPO) (Homo sapiens (Human))	BDBM50035282 (CHEMBL3343337) Show SMILES COc1n(CCCCCO)nc2ccccc12 Show InChI InChI=1S/C13H18N2O2/c1-17-13-11-7-3-4-8-12(11)14-15(13)9-5-2-6-10-16/h3-4,7-8,16H,2,5-6,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...				Bioorg Med Chem 22: 6422-9 (2014) Article DOI: 10.1016/j.bmc.2014.09.044 BindingDB Entry DOI: 10.7270/Q2M0472H
					More data for this Ligand-Target Pair