BDBM50133603 CHEMBL3633248

SMILES: COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CC(N)=O

InChI Key: InChIKey=GQWZBUKEJKGQTB-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50133603   

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))	BDBM50133603 (CHEMBL3633248) Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CC(N)=O Show InChI InChI=1S/C14H15N3O4S/c1-20-8-3-4-9(11(5-8)21-2)10-6-13(19)16-14(22)17(10)7-12(15)18/h3-6H,7H2,1-2H3,(H2,15,18)(H,16,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...				J Med Chem 58: 8513-28 (2015) BindingDB Entry DOI: 10.7270/Q2SQ926X
					More data for this Ligand-Target Pair
Myeloperoxidase (MPO) (Homo sapiens (Human))	BDBM50133603 (CHEMBL3633248) Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CC(N)=O Show InChI InChI=1S/C14H15N3O4S/c1-20-8-3-4-9(11(5-8)21-2)10-6-13(19)16-14(22)17(10)7-12(15)18/h3-6H,7H2,1-2H3,(H2,15,18)(H,16,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+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