BDBM50446406 CHEMBL3109729

SMILES: O=C1CC(=O)C(=O)C(CC2CCCCC2)C1=O

InChI Key: InChIKey=GOKJZGQEVSPXHE-UHFFFAOYSA-N

Data: 2 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 = 50446406   

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))	BDBM50446406 (CHEMBL3109729) Show SMILES O=C1CC(=O)C(=O)C(CC2CCCCC2)C1=O Show InChI InChI=1S/C13H16O4/c14-10-7-11(15)13(17)9(12(10)16)6-8-4-2-1-3-5-8/h8-9H,1-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins				Eur J Med Chem 67: 269-79 (2013) Article DOI: 10.1016/j.ejmech.2013.06.039 BindingDB Entry DOI: 10.7270/Q2XW4M9Z
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50446406 (CHEMBL3109729) Show SMILES O=C1CC(=O)C(=O)C(CC2CCCCC2)C1=O Show InChI InChI=1S/C13H16O4/c14-10-7-11(15)13(17)9(12(10)16)6-8-4-2-1-3-5-8/h8-9H,1-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins				Eur J Med Chem 67: 269-79 (2013) Article DOI: 10.1016/j.ejmech.2013.06.039 BindingDB Entry DOI: 10.7270/Q2XW4M9Z
					More data for this Ligand-Target Pair