BDBM50116895 CHEMBL3613033

SMILES: CC(=O)Oc1ccc(\C=C\C(=O)OCCCCCCCCc2cnnn2CCCO)cc1OC(C)=O

InChI Key: InChIKey=CAVBFQXQFHVKJH-WYMLVPIESA-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 = 50116895   

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))	BDBM50116895 (CHEMBL3613033) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCCCCCCc2cnnn2CCCO)cc1OC(C)=O Show InChI InChI=1S/C26H35N3O7/c1-20(31)35-24-13-11-22(18-25(24)36-21(2)32)12-14-26(33)34-17-8-6-4-3-5-7-10-23-19-27-28-29(23)15-9-16-30/h11-14,18-19,30H,3-10,15-17H2,1-2H3/b14-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+3	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))	BDBM50116895 (CHEMBL3613033) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCCCCCCc2cnnn2CCCO)cc1OC(C)=O Show InChI InChI=1S/C26H35N3O7/c1-20(31)35-24-13-11-22(18-25(24)36-21(2)32)12-14-26(33)34-17-8-6-4-3-5-7-10-23-19-27-28-29(23)15-9-16-30/h11-14,18-19,30H,3-10,15-17H2,1-2H3/b14-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	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