BDBM50133598 CHEMBL3633458

SMILES: COc1ccccc1-c1cc(=O)[nH]c(=S)[nH]1

InChI Key: InChIKey=CHIYLSFVNLCDBQ-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 = 50133598   

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))	BDBM50133598 (CHEMBL3633458) Show SMILES COc1ccccc1-c1cc(=O)[nH]c(=S)[nH]1 Show InChI InChI=1S/C11H10N2O2S/c1-15-9-5-3-2-4-7(9)8-6-10(14)13-11(16)12-8/h2-6H,1H3,(H2,12,13,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Irreversible inhibition of MPO in LPS-stimulated human whole blood after 4 hrs by Amplex Red/H2O2-based fluorescence plate reader analysis				J Med Chem 58: 8513-28 (2015) BindingDB Entry DOI: 10.7270/Q2SQ926X
					More data for this Ligand-Target Pair