BDBM50232000 CHEMBL4065980

SMILES: COC1=CC(=O)C(OC)=C(C(CCCCCCCCCO)OC(C)=O)C1=O

InChI Key: InChIKey=VLFKWGWFCYFHPN-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 = 50232000   

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))	BDBM50232000 (CHEMBL4065980) Show SMILES COC1=CC(=O)C(OC)=C(C(CCCCCCCCCO)OC(C)=O)C1=O |t:2,8| Show InChI InChI=1S/C20H30O7/c1-14(22)27-16(11-9-7-5-4-6-8-10-12-21)18-19(24)17(25-2)13-15(23)20(18)26-3/h13,16,21H,4-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second University of Naples Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of A23187-induced product formation using arachidonic acid as substrate prei...				Eur J Med Chem 127: 715-726 (2017) BindingDB Entry DOI: 10.7270/Q2DR2XQ8
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50232000 (CHEMBL4065980) Show SMILES COC1=CC(=O)C(OC)=C(C(CCCCCCCCCO)OC(C)=O)C1=O |t:2,8| Show InChI InChI=1S/C20H30O7/c1-14(22)27-16(11-9-7-5-4-6-8-10-12-21)18-19(24)17(25-2)13-15(23)20(18)26-3/h13,16,21H,4-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Second University of Naples Curated by ChEMBL					Assay Description Inhibition of recombinant human 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate preincubated for 15 mins follow...				Eur J Med Chem 127: 715-726 (2017) BindingDB Entry DOI: 10.7270/Q2DR2XQ8
					More data for this Ligand-Target Pair