BDBM50213566 2-(2,3-dihydro-1,4-benzodioxin-6-yl) acetic acid::CHEMBL235786

SMILES: OC(=O)Cc1ccc2OCCOc2c1

InChI Key: InChIKey=BVRNERFWPQRVJB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50213566   

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))	BDBM50213566 (2-(2,3-dihydro-1,4-benzodioxin-6-yl) acetic acid |...) Show SMILES OC(=O)Cc1ccc2OCCOc2c1 Show InChI InChI=1S/C10H10O4/c11-10(12)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-2,5H,3-4,6H2,(H,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood after 15 mins				Bioorg Med Chem 15: 4876-90 (2007) Article DOI: 10.1016/j.bmc.2007.04.050 BindingDB Entry DOI: 10.7270/Q2VH5PN7
					More data for this Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9 (Rattus norvegicus)	BDBM50213566 (2-(2,3-dihydro-1,4-benzodioxin-6-yl) acetic acid |...) Show SMILES OC(=O)Cc1ccc2OCCOc2c1 Show InChI InChI=1S/C10H10O4/c11-10(12)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-2,5H,3-4,6H2,(H,11,12)	Reactome pathway KEGG GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction				Bioorg Med Chem 15: 4876-90 (2007) Article DOI: 10.1016/j.bmc.2007.04.050 BindingDB Entry DOI: 10.7270/Q2VH5PN7
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50213566 (2-(2,3-dihydro-1,4-benzodioxin-6-yl) acetic acid |...) Show SMILES OC(=O)Cc1ccc2OCCOc2c1 Show InChI InChI=1S/C10H10O4/c11-10(12)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-2,5H,3-4,6H2,(H,11,12)	PDB GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood after 15 mins				Bioorg Med Chem 15: 4876-90 (2007) Article DOI: 10.1016/j.bmc.2007.04.050 BindingDB Entry DOI: 10.7270/Q2VH5PN7
					More data for this Ligand-Target Pair