BDBM50000862 6-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-phenoxymethyl]-3-methyl-3H-benzothiazol-2-one::CHEMBL330120

SMILES: COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)sc3c2)c1

InChI Key: InChIKey=DJTUUESGOZCESW-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 = 50000862   

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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50000862 (6-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)sc3c2)c1 Show InChI InChI=1S/C21H22FNO4S/c1-23-18-4-3-14(9-19(18)28-20(23)24)13-27-17-11-15(10-16(22)12-17)21(25-2)5-7-26-8-6-21/h3-4,9-12H,5-8,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase				J Med Chem 35: 2600-9 (1992) BindingDB Entry DOI: 10.7270/Q2Q240VJ
					More data for this Ligand-Target Pair