BDBM50207448 2-(2',6'-diethoxy-2-fluoro-biphenyl4-yl)-propionic acid::CHEMBL257539

SMILES: CCOc1cccc(OCC)c1-c1ccc(cc1F)C(C)C(O)=O

InChI Key: InChIKey=TZOMOHQHOGZCPT-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 = 50207448   

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))	BDBM50207448 (2-(2',6'-diethoxy-2-fluoro-biphenyl4-yl)-propionic...) Show SMILES CCOc1cccc(OCC)c1-c1ccc(cc1F)C(C)C(O)=O |w:19.21,(26.76,-25.54,;28.1,-24.77,;29.43,-25.54,;30.76,-24.77,;30.77,-23.22,;32.1,-22.45,;33.43,-23.22,;33.44,-24.77,;34.77,-25.54,;36.1,-24.76,;37.44,-25.53,;32.1,-25.54,;32.1,-27.08,;30.76,-27.84,;30.76,-29.38,;32.1,-30.15,;33.44,-29.38,;33.43,-27.84,;34.76,-27.07,;32.1,-31.69,;30.77,-32.47,;33.43,-32.46,;33.44,-34.01,;34.77,-31.69,)| Show InChI InChI=1S/C19H21FO4/c1-4-23-16-7-6-8-17(24-5-2)18(16)14-10-9-13(11-15(14)20)12(3)19(21)22/h6-12H,4-5H2,1-3H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Chemical Biology and Center in Molecular Toxicology Curated by ChEMBL					Assay Description Inhibition of COX2				J Med Chem 50: 1425-41 (2007) Article DOI: 10.1021/jm0613166 BindingDB Entry DOI: 10.7270/Q2P26XTQ
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50207448 (2-(2',6'-diethoxy-2-fluoro-biphenyl4-yl)-propionic...) Show SMILES CCOc1cccc(OCC)c1-c1ccc(cc1F)C(C)C(O)=O |w:19.21,(26.76,-25.54,;28.1,-24.77,;29.43,-25.54,;30.76,-24.77,;30.77,-23.22,;32.1,-22.45,;33.43,-23.22,;33.44,-24.77,;34.77,-25.54,;36.1,-24.76,;37.44,-25.53,;32.1,-25.54,;32.1,-27.08,;30.76,-27.84,;30.76,-29.38,;32.1,-30.15,;33.44,-29.38,;33.43,-27.84,;34.76,-27.07,;32.1,-31.69,;30.77,-32.47,;33.43,-32.46,;33.44,-34.01,;34.77,-31.69,)| Show InChI InChI=1S/C19H21FO4/c1-4-23-16-7-6-8-17(24-5-2)18(16)14-10-9-13(11-15(14)20)12(3)19(21)22/h6-12H,4-5H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Chemical Biology and Center in Molecular Toxicology Curated by ChEMBL					Assay Description Inhibition of COX1				J Med Chem 50: 1425-41 (2007) Article DOI: 10.1021/jm0613166 BindingDB Entry DOI: 10.7270/Q2P26XTQ
					More data for this Ligand-Target Pair