BDBM50116890 CHEMBL3613038

SMILES: CC(=O)Oc1ccc(\C=C\C(=O)OCCc2cnnn2CCCOC(=O)C2(C)CCc3c(C)c(OC(C)=O)c(C)c(C)c3O2)cc1OC(C)=O

InChI Key: InChIKey=CECUNZDQMSGENY-ZRDIBKRKSA-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 = 50116890   

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))	BDBM50116890 (CHEMBL3613038) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCc2cnnn2CCCOC(=O)C2(C)CCc3c(C)c(OC(C)=O)c(C)c(C)c3O2)cc1OC(C)=O Show InChI InChI=1S/C36H41N3O11/c1-21-22(2)34-29(23(3)33(21)49-26(6)42)13-15-36(7,50-34)35(44)46-17-8-16-39-28(20-37-38-39)14-18-45-32(43)12-10-27-9-11-30(47-24(4)40)31(19-27)48-25(5)41/h9-12,19-20H,8,13-18H2,1-7H3/b12-10+	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))	BDBM50116890 (CHEMBL3613038) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCc2cnnn2CCCOC(=O)C2(C)CCc3c(C)c(OC(C)=O)c(C)c(C)c3O2)cc1OC(C)=O Show InChI InChI=1S/C36H41N3O11/c1-21-22(2)34-29(23(3)33(21)49-26(6)42)13-15-36(7,50-34)35(44)46-17-8-16-39-28(20-37-38-39)14-18-45-32(43)12-10-27-9-11-30(47-24(4)40)31(19-27)48-25(5)41/h9-12,19-20H,8,13-18H2,1-7H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	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