BDBM50004425 CHEMBL3238207

SMILES: Cc1cccc(OC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1

InChI Key: InChIKey=PENUYFIKYBEYBN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50004425   

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))	BDBM50004425 (CHEMBL3238207) Show SMILES Cc1cccc(OC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1 Show InChI InChI=1S/C14H10N2O6/c1-9-3-2-4-13(5-9)22-14(17)10-6-11(15(18)19)8-12(7-10)16(20)21/h2-8H,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	6	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50004425 (CHEMBL3238207) Show SMILES Cc1cccc(OC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1 Show InChI InChI=1S/C14H10N2O6/c1-9-3-2-4-13(5-9)22-14(17)10-6-11(15(18)19)8-12(7-10)16(20)21/h2-8H,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	900	n/a	n/a	n/a	n/a	n/a	n/a
School of Advanced Sciences Curated by ChEMBL					Assay Description Inhibition of 5-LOX in A23187-stimulated human neutrophils preincubated for 15 mins followed by A23187 stimulation and measured after 10 mins				Bioorg Med Chem 27: 3745-3759 (2019) Article DOI: 10.1016/j.bmc.2019.06.040
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50004425 (CHEMBL3238207) Show SMILES Cc1cccc(OC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1 Show InChI InChI=1S/C14H10N2O6/c1-9-3-2-4-13(5-9)22-14(17)10-6-11(15(18)19)8-12(7-10)16(20)21/h2-8H,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	500	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair