BDBM50386161 CHEMBL2042354

SMILES: OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2cccc(c2)C(=O)N2CCOCC2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=MODPZAAGKCTXOM-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 = 50386161   

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
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50386161 (CHEMBL2042354) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2cccc(c2)C(=O)N2CCOCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C27H23N5O6/c33-26(30-10-12-38-13-11-30)21-3-1-2-20(14-21)18-4-6-19(7-5-18)24-17-31(29-28-24)16-23-9-8-22(27(34)35)15-25(23)32(36)37/h1-9,14-15,17H,10-13,16H2,(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cell assessed as inhibition of PGE2 production preincubated for 15 mins before substrate addit...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50386161 (CHEMBL2042354) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2cccc(c2)C(=O)N2CCOCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C27H23N5O6/c33-26(30-10-12-38-13-11-30)21-3-1-2-20(14-21)18-4-6-19(7-5-18)24-17-31(29-28-24)16-23-9-8-22(27(34)35)15-25(23)32(36)37/h1-9,14-15,17H,10-13,16H2,(H,34,35)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50386161 (CHEMBL2042354) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2cccc(c2)C(=O)N2CCOCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C27H23N5O6/c33-26(30-10-12-38-13-11-30)21-3-1-2-20(14-21)18-4-6-19(7-5-18)24-17-31(29-28-24)16-23-9-8-22(27(34)35)15-25(23)32(36)37/h1-9,14-15,17H,10-13,16H2,(H,34,35)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair