BDBM50116892 CHEMBL3613036

SMILES: CC(=O)Oc1ccc(\C=C\C(=O)OCCCn2cc(CCO)nn2)cc1OC(C)=O

InChI Key: InChIKey=KWVYOIBFLOAUJY-FNORWQNLSA-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 = 50116892   

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))	BDBM50116892 (CHEMBL3613036) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCn2cc(CCO)nn2)cc1OC(C)=O Show InChI InChI=1S/C20H23N3O7/c1-14(25)29-18-6-4-16(12-19(18)30-15(2)26)5-7-20(27)28-11-3-9-23-13-17(8-10-24)21-22-23/h4-7,12-13,24H,3,8-11H2,1-2H3/b7-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.60E+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))	BDBM50116892 (CHEMBL3613036) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCn2cc(CCO)nn2)cc1OC(C)=O Show InChI InChI=1S/C20H23N3O7/c1-14(25)29-18-6-4-16(12-19(18)30-15(2)26)5-7-20(27)28-11-3-9-23-13-17(8-10-24)21-22-23/h4-7,12-13,24H,3,8-11H2,1-2H3/b7-5+	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 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