BDBM50512024 CHEMBL4476757

SMILES: NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(=O)OCCN1CCOCC1

InChI Key: InChIKey=CWFXEOVJHOPAAC-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 = 50512024   

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))	BDBM50512024 (CHEMBL4476757) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(=O)OCCN1CCOCC1 Show InChI InChI=1S/C23H23F3N4O5S/c24-23(25,26)17-3-1-16(2-4-17)21-15-20(22(31)35-14-11-29-9-12-34-13-10-29)28-30(21)18-5-7-19(8-6-18)36(27,32)33/h1-8,15H,9-14H2,(H2,27,32,33)	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	190	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)	BDBM50512024 (CHEMBL4476757) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(=O)OCCN1CCOCC1 Show InChI InChI=1S/C23H23F3N4O5S/c24-23(25,26)17-3-1-16(2-4-17)21-15-20(22(31)35-14-11-29-9-12-34-13-10-29)28-30(21)18-5-7-19(8-6-18)36(27,32)33/h1-8,15H,9-14H2,(H2,27,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	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