BDBM50015413 2-Hexyl-4,6,7-trimethyl-benzo[1,3]oxathiol-5-ol::CHEMBL35004

SMILES: CCCCCCC1Oc2c(S1)c(C)c(O)c(C)c2C

InChI Key: InChIKey=VBDXIKNSZNVCPT-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 = 50015413   

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))	BDBM50015413 (2-Hexyl-4,6,7-trimethyl-benzo[1,3]oxathiol-5-ol | ...) Show SMILES CCCCCCC1Oc2c(S1)c(C)c(O)c(C)c2C Show InChI InChI=1S/C16H24O2S/c1-5-6-7-8-9-13-18-15-11(3)10(2)14(17)12(4)16(15)19-13/h13,17H,5-9H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Company Ltd. Curated by ChEMBL					Assay Description Evaluated for inhibition of the formation and release of 5-lipoxygenase in isolated guinea pig ileum				J Med Chem 33: 1491-6 (1990) BindingDB Entry DOI: 10.7270/Q2NG4PM6
					More data for this Ligand-Target Pair