BDBM50063975 CHEMBL3402596

SMILES: CCOC(=O)Cc1cc(-c2ccc(cc2)S(N)(=O)=O)n(c1C)-c1cccc(F)c1

InChI Key: InChIKey=VMAMODBWXOFAPV-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50063975   

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 G/H synthase 2 (Homo sapiens (Human))	BDBM50063975 (CHEMBL3402596) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(N)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C21H21FN2O4S/c1-3-28-21(25)12-16-11-20(15-7-9-19(10-8-15)29(23,26)27)24(14(16)2)18-6-4-5-17(22)13-18/h4-11,13H,3,12H2,1-2H3,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using PGEH2 as substrate after 10 mins by EIA				Bioorg Med Chem 23: 810-20 (2015) Article DOI: 10.1016/j.bmc.2014.12.041 BindingDB Entry DOI: 10.7270/Q2NV9KZ4
					More data for this Ligand-Target Pair