BDBM50224126 CHEMBL398383::Ehyl-2-methyl-1-[4-(methylsulfonyl)phenyl]-5-[3,4-(difluoro)phenyl]-1H-pyrrol-3-acetate

SMILES: CCOC(=O)Cc1cc(-c2ccc(F)c(F)c2)n(c1C)-c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=BEWBVGPOPQDTAO-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 = 50224126   

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 (cyclooxygenase) (Mus musculus)	BDBM50224126 (CHEMBL398383 | Ehyl-2-methyl-1-[4-(methylsulfonyl)...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(F)c(F)c2)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H21F2NO4S/c1-4-29-22(26)13-16-12-21(15-5-10-19(23)20(24)11-15)25(14(16)2)17-6-8-18(9-7-17)30(3,27)28/h5-12H,4,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50224126 (CHEMBL398383 | Ehyl-2-methyl-1-[4-(methylsulfonyl)...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(F)c(F)c2)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H21F2NO4S/c1-4-29-22(26)13-16-12-21(15-5-10-19(23)20(24)11-15)25(14(16)2)17-6-8-18(9-7-17)30(3,27)28/h5-12H,4,13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair