BDBM50116891 CHEMBL3613037

SMILES: CC(=O)Oc1ccc(\C=C\C(=O)OCCCn2cc(CCOC(=O)\C=C\c3ccc(OC(C)=O)c(OC(C)=O)c3)nn2)cc1OC(C)=O

InChI Key: InChIKey=MVKNBFLZWBYQET-QHKWOANTSA-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 = 50116891   

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))	BDBM50116891 (CHEMBL3613037) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCn2cc(CCOC(=O)\C=C\c3ccc(OC(C)=O)c(OC(C)=O)c3)nn2)cc1OC(C)=O Show InChI InChI=1S/C33H33N3O12/c1-21(37)45-28-10-6-25(18-30(28)47-23(3)39)8-12-32(41)43-16-5-15-36-20-27(34-35-36)14-17-44-33(42)13-9-26-7-11-29(46-22(2)38)31(19-26)48-24(4)40/h6-13,18-20H,5,14-17H2,1-4H3/b12-8+,13-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human neutrophils assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 15 mins before A23187 and arachidon...				Eur J Med Chem 101: 573-83 (2015) BindingDB Entry DOI: 10.7270/Q2V69MDP
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50116891 (CHEMBL3613037) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCn2cc(CCOC(=O)\C=C\c3ccc(OC(C)=O)c(OC(C)=O)c3)nn2)cc1OC(C)=O Show InChI InChI=1S/C33H33N3O12/c1-21(37)45-28-10-6-25(18-30(28)47-23(3)39)8-12-32(41)43-16-5-15-36-20-27(34-35-36)14-17-44-33(42)13-9-26-7-11-29(46-22(2)38)31(19-26)48-24(4)40/h6-13,18-20H,5,14-17H2,1-4H3/b12-8+,13-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of human 5-LOX expressed in Escherichia coli Bl21 (DE3) assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 10 mins b...				Eur J Med Chem 101: 573-83 (2015) BindingDB Entry DOI: 10.7270/Q2V69MDP
					More data for this Ligand-Target Pair