BDBM50226346 CHEMBL34003

SMILES: CC(C(=O)OCCNC(C)=O)c1ccc2OCc3ccccc3Oc2c1

InChI Key: InChIKey=XBPJKECUYUUSQD-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 = 50226346   

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 (cyclooxygenase) (Ovis aries (Sheep))	BDBM50226346 (CHEMBL34003) Show SMILES CC(C(=O)OCCNC(C)=O)c1ccc2OCc3ccccc3Oc2c1 Show InChI InChI=1S/C20H21NO5/c1-13(20(23)24-10-9-21-14(2)22)15-7-8-18-19(11-15)26-17-6-4-3-5-16(17)12-25-18/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase of ram seminal vesicle microsomes				J Med Chem 29: 1436-41 (1986) BindingDB Entry DOI: 10.7270/Q2X06974
					More data for this Ligand-Target Pair