BDBM50140137 CHEMBL3753908

SMILES: COc1ccc2cc(ccc2c1)C(C)C(=O)N1CCSCC1

InChI Key: InChIKey=NRSSJYANCHFWBR-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 = 50140137   

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
Seed linoleate 9S-lipoxygenase (Glycine max)	BDBM50140137 (CHEMBL3753908) Show SMILES COc1ccc2cc(ccc2c1)C(C)C(=O)N1CCSCC1 Show InChI InChI=1S/C18H21NO2S/c1-13(18(20)19-7-9-22-10-8-19)14-3-4-16-12-17(21-2)6-5-15(16)11-14/h3-6,11-13H,7-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aristotelian University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean lipoxygenase assessed as formation of 13-hydroperoxylinoleic acid after 7 mins				Bioorg Med Chem Lett 26: 910-3 (2016) BindingDB Entry DOI: 10.7270/Q2GM8955
					More data for this Ligand-Target Pair