BDBM50512018 CHEMBL4569865

SMILES: CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)OCCCN1CCOCC1

InChI Key: InChIKey=OQDFOVAJWLYIQE-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 = 50512018   

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/G/H synthase 2 (Homo sapiens (Human))	BDBM50512018 (CHEMBL4569865) Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)OCCCN1CCOCC1 Show InChI InChI=1S/C25H30N4O6S/c1-2-34-21-8-4-19(5-9-21)24-18-23(25(30)35-15-3-12-28-13-16-33-17-14-28)27-29(24)20-6-10-22(11-7-20)36(26,31)32/h4-11,18H,2-3,12-17H2,1H3,(H2,26,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50512018 (CHEMBL4569865) Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)OCCCN1CCOCC1 Show InChI InChI=1S/C25H30N4O6S/c1-2-34-21-8-4-19(5-9-21)24-18-23(25(30)35-15-3-12-28-13-16-33-17-14-28)27-29(24)20-6-10-22(11-7-20)36(26,31)32/h4-11,18H,2-3,12-17H2,1H3,(H2,26,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008
					More data for this Ligand-Target Pair