BDBM50394770 CHEMBL2163379

SMILES: Cc1ccc2cccc(OC(=O)c3cccc(c3)[N+]([O-])=O)c2n1

InChI Key: InChIKey=YAZUAYXQPCAJST-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 = 50394770   

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))	BDBM50394770 (CHEMBL2163379) Show SMILES Cc1ccc2cccc(OC(=O)c3cccc(c3)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C17H12N2O4/c1-11-8-9-12-4-3-7-15(16(12)18-11)23-17(20)13-5-2-6-14(10-13)19(21)22/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL2-DE3 incubated 10 mins before substrate addition by fluorescence spectrophotom...				J Med Chem 55: 2597-605 (2012) Article DOI: 10.1021/jm201497k BindingDB Entry DOI: 10.7270/Q20P115J
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50394770 (CHEMBL2163379) Show SMILES Cc1ccc2cccc(OC(=O)c3cccc(c3)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C17H12N2O4/c1-11-8-9-12-4-3-7-15(16(12)18-11)23-17(20)13-5-2-6-14(10-13)19(21)22/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX in A23187-induced human whole blood assessed as reduction in LTB4 production pre-incubated for 20 mins before A23187 additi...				J Med Chem 55: 2597-605 (2012) Article DOI: 10.1021/jm201497k BindingDB Entry DOI: 10.7270/Q20P115J
					More data for this Ligand-Target Pair