BDBM50365266 CHEMBL1958348

SMILES: CC(=O)Oc1ccccc1C(=O)Oc1ccc(CCO)cc1

InChI Key: InChIKey=BENNDTBUIUJRDT-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 = 50365266   

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
Cyclooxygenase (Homo sapiens (Human))	BDBM50365266 (CHEMBL1958348) Show SMILES CC(=O)Oc1ccccc1C(=O)Oc1ccc(CCO)cc1 Show InChI InChI=1S/C17H16O5/c1-12(19)21-16-5-3-2-4-15(16)17(20)22-14-8-6-13(7-9-14)10-11-18/h2-9,18H,10-11H2,1H3	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	380	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 55: 688-96 (2012) Article DOI: 10.1021/jm200973j BindingDB Entry DOI: 10.7270/Q2HM58Z7
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50365266 (CHEMBL1958348) Show SMILES CC(=O)Oc1ccccc1C(=O)Oc1ccc(CCO)cc1 Show InChI InChI=1S/C17H16O5/c1-12(19)21-16-5-3-2-4-15(16)17(20)22-14-8-6-13(7-9-14)10-11-18/h2-9,18H,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX1				J Med Chem 55: 688-96 (2012) Article DOI: 10.1021/jm200973j BindingDB Entry DOI: 10.7270/Q2HM58Z7
					More data for this Ligand-Target Pair