BDBM50499542 CHEMBL3739930

SMILES: COc1cc2[nH]c(=S)n(NC(=O)c3cccc(F)c3)c(=O)c2cc1OC

InChI Key: InChIKey=JHBSYDFQQLGKCG-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 = 50499542   

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 (Homo sapiens (Human))	BDBM50499542 (CHEMBL3739930) Show SMILES COc1cc2[nH]c(=S)n(NC(=O)c3cccc(F)c3)c(=O)c2cc1OC Show InChI InChI=1S/C17H14FN3O4S/c1-24-13-7-11-12(8-14(13)25-2)19-17(26)21(16(11)23)20-15(22)9-4-3-5-10(18)6-9/h3-8H,1-2H3,(H,19,26)(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of human recombinant myeloperoxidase by amplex red assay				ACS Med Chem Lett 6: 1047-52 (2015) Article DOI: 10.1021/acsmedchemlett.5b00287 BindingDB Entry DOI: 10.7270/Q26W9F24
					More data for this Ligand-Target Pair