BDBM50297687 2-(cyclopentyloxy)-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidine::CHEMBL551418

SMILES: CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OC2CCCC2)n1)C(F)(F)F

InChI Key: InChIKey=MVDDLZDKJHVWJY-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 = 50297687   

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))	BDBM50297687 (2-(cyclopentyloxy)-4-(4-(methylsulfonyl)phenyl)-6-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OC2CCCC2)n1)C(F)(F)F Show InChI InChI=1S/C17H17F3N2O3S/c1-26(23,24)13-8-6-11(7-9-13)14-10-15(17(18,19)20)22-16(21-14)25-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3	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	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50297687 (2-(cyclopentyloxy)-4-(4-(methylsulfonyl)phenyl)-6-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OC2CCCC2)n1)C(F)(F)F Show InChI InChI=1S/C17H17F3N2O3S/c1-26(23,24)13-8-6-11(7-9-13)14-10-15(17(18,19)20)22-16(21-14)25-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX1 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair