BDBM50253601 CHEMBL493297::Ethyl-[2-ethoxy-2-[1-(4-methoxy)phenyl-2-methyl-5-(4-methylsulfonyl)phenyl-1H-pyrrol-3-yl]]acetate

SMILES: CCOC(C(=O)OCC)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1

InChI Key: InChIKey=ZFKIBWYUMBAGLZ-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 = 50253601   

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-2 (COX-2) (Mus musculus (Mouse))	BDBM50253601 (CHEMBL493297 | Ethyl-[2-ethoxy-2-[1-(4-methoxy)phe...) Show SMILES CCOC(C(=O)OCC)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1 Show InChI InChI=1S/C25H29NO6S/c1-6-31-24(25(27)32-7-2)22-16-23(18-8-14-21(15-9-18)33(5,28)29)26(17(22)3)19-10-12-20(30-4)13-11-19/h8-16,24H,6-7H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	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 mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay				Bioorg Med Chem 16: 8072-81 (2008) Article DOI: 10.1016/j.bmc.2008.07.058 BindingDB Entry DOI: 10.7270/Q24J0DZW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus)	BDBM50253601 (CHEMBL493297 | Ethyl-[2-ethoxy-2-[1-(4-methoxy)phe...) Show SMILES CCOC(C(=O)OCC)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1 Show InChI InChI=1S/C25H29NO6S/c1-6-31-24(25(27)32-7-2)22-16-23(18-8-14-21(15-9-18)33(5,28)29)26(17(22)3)19-10-12-20(30-4)13-11-19/h8-16,24H,6-7H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase 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 arachidonic acid-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay				Bioorg Med Chem 16: 8072-81 (2008) Article DOI: 10.1016/j.bmc.2008.07.058 BindingDB Entry DOI: 10.7270/Q24J0DZW
					More data for this Ligand-Target Pair