BDBM50224118 CHEMBL237592::ethyl-2-methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-(fluoro)phenyl]-1H-pyrrol-3-acetate

SMILES: CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1

InChI Key: InChIKey=UVNMAAHEMZZIAX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50224118   

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-1 (COX-1) (Homo sapiens (Human))	BDBM50224118 (CHEMBL237592 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)13-17-12-21(16-8-10-20(11-9-16)29(3,26)27)24(15(17)2)19-7-5-6-18(23)14-19/h5-12,14H,4,13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as TXB2 production				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))	BDBM50224118 (CHEMBL237592 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)13-17-12-21(16-8-10-20(11-9-16)29(3,26)27)24(15(17)2)19-7-5-6-18(23)14-19/h5-12,14H,4,13H2,1-3H3	PDB UniProtKB/SwissProt 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
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
Cyclooxygenase (Homo sapiens (Human))	BDBM50224118 (CHEMBL237592 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)13-17-12-21(16-8-10-20(11-9-16)29(3,26)27)24(15(17)2)19-7-5-6-18(23)14-19/h5-12,14H,4,13H2,1-3H3	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	2.10E+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-induced monocyte assessed as PGE2 production in human whole blood				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
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus)	BDBM50224118 (CHEMBL237592 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)13-17-12-21(16-8-10-20(11-9-16)29(3,26)27)24(15(17)2)19-7-5-6-18(23)14-19/h5-12,14H,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