BDBM50253487 (+)-(S)-Ethyl-[2-hydroxy-2-[2-methyl-5-(4-methylsulfonyl)phenyl-1-phenyl-1H-pyrrol-3-yl]]acetate::CHEMBL494700

SMILES: CCOC(=O)[C@@H](O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1

InChI Key: InChIKey=DSEATYLBKDNYNP-NRFANRHFSA-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 = 50253487   

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))	BDBM50253487 ((+)-(S)-Ethyl-[2-hydroxy-2-[2-methyl-5-(4-methylsu...) Show SMILES CCOC(=O)[C@@H](O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 |r| Show InChI InChI=1S/C22H23NO5S/c1-4-28-22(25)21(24)19-14-20(16-10-12-18(13-11-16)29(3,26)27)23(15(19)2)17-8-6-5-7-9-17/h5-14,21,24H,4H2,1-3H3/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	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)	BDBM50253487 ((+)-(S)-Ethyl-[2-hydroxy-2-[2-methyl-5-(4-methylsu...) Show SMILES CCOC(=O)[C@@H](O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 |r| Show InChI InChI=1S/C22H23NO5S/c1-4-28-22(25)21(24)19-14-20(16-10-12-18(13-11-16)29(3,26)27)23(15(19)2)17-8-6-5-7-9-17/h5-14,21,24H,4H2,1-3H3/t21-/m0/s1	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