BDBM50386158 CHEMBL2042357

SMILES: OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2C(O)=O)c(c1)[N+]([O-])=O

InChI Key: InChIKey=YJEOSHSLFWMFMN-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 = 50386158   

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))	BDBM50386158 (CHEMBL2042357) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2C(O)=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C23H16N4O6/c28-22(29)16-9-10-17(21(11-16)27(32)33)12-26-13-20(24-25-26)15-7-5-14(6-8-15)18-3-1-2-4-19(18)23(30)31/h1-11,13H,12H2,(H,28,29)(H,30,31)	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))	BDBM50386158 (CHEMBL2042357) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2C(O)=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C23H16N4O6/c28-22(29)16-9-10-17(21(11-16)27(32)33)12-26-13-20(24-25-26)15-7-5-14(6-8-15)18-3-1-2-4-19(18)23(30)31/h1-11,13H,12H2,(H,28,29)(H,30,31)	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))	BDBM50386158 (CHEMBL2042357) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2C(O)=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C23H16N4O6/c28-22(29)16-9-10-17(21(11-16)27(32)33)12-26-13-20(24-25-26)15-7-5-14(6-8-15)18-3-1-2-4-19(18)23(30)31/h1-11,13H,12H2,(H,28,29)(H,30,31)	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