BDBM50349915 CHEMBL1814724

SMILES: CC(C([O-])=O)c1ccc(CC2CCCC2=O)cc1-c1ccc(F)cc1

InChI Key: InChIKey=VASRVOKCIPXPBF-UHFFFAOYSA-M

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 = 50349915   

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))	BDBM50349915 (CHEMBL1814724) Show SMILES CC(C([O-])=O)c1ccc(CC2CCCC2=O)cc1-c1ccc(F)cc1 Show InChI InChI=1S/C21H21FO3/c1-13(21(24)25)18-10-5-14(11-16-3-2-4-20(16)23)12-19(18)15-6-8-17(22)9-7-15/h5-10,12-13,16H,2-4,11H2,1H3,(H,24,25)/p-1	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	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kumamoto University Curated by ChEMBL					Assay Description Inhibition of human whole blood COX-2 assessed as production of PGE2 after 24 hrs by EIA				Bioorg Med Chem 19: 3299-311 (2011) Article DOI: 10.1016/j.bmc.2011.04.050 BindingDB Entry DOI: 10.7270/Q2NZ881Z
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50349915 (CHEMBL1814724) Show SMILES CC(C([O-])=O)c1ccc(CC2CCCC2=O)cc1-c1ccc(F)cc1 Show InChI InChI=1S/C21H21FO3/c1-13(21(24)25)18-10-5-14(11-16-3-2-4-20(16)23)12-19(18)15-6-8-17(22)9-7-15/h5-10,12-13,16H,2-4,11H2,1H3,(H,24,25)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kumamoto University Curated by ChEMBL					Assay Description Inhibition of human whole blood COX-1 assessed as production of TXB2 after 24 hrs by EIA				Bioorg Med Chem 19: 3299-311 (2011) Article DOI: 10.1016/j.bmc.2011.04.050 BindingDB Entry DOI: 10.7270/Q2NZ881Z
					More data for this Ligand-Target Pair