BDBM50382178 CHEMBL2023861

SMILES: COc1cccc(c1)-c1csc(Nc2ccc3OCOc3c2)n1

InChI Key: InChIKey=DCDFZCCMGRLMFA-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 = 50382178   

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))	BDBM50382178 (CHEMBL2023861) Show SMILES COc1cccc(c1)-c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C17H14N2O3S/c1-20-13-4-2-3-11(7-13)14-9-23-17(19-14)18-12-5-6-15-16(8-12)22-10-21-15/h2-9H,10H2,1H3,(H,18,19)	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
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of COX2 by fluorescence assay				Bioorg Med Chem Lett 22: 3567-70 (2012) Article DOI: 10.1016/j.bmcl.2012.03.013 BindingDB Entry DOI: 10.7270/Q2RB75MP
					More data for this Ligand-Target Pair