BDBM50253489 (+/-)-Ethyl-[2-hydroxy-2-[1-(3-fluoro)phenyl-2-methyl-5-(4-methylsulfonyl)phenyl-1H-pyrrol-3-yl]]acetate::CHEMBL494905

SMILES: CCOC(=O)C(O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1

InChI Key: InChIKey=QMMAGKWGLWQMID-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 = 50253489   

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))	BDBM50253489 ((+/-)-Ethyl-[2-hydroxy-2-[1-(3-fluoro)phenyl-2-met...) Show SMILES CCOC(=O)C(O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C22H22FNO5S/c1-4-29-22(26)21(25)19-13-20(15-8-10-18(11-9-15)30(3,27)28)24(14(19)2)17-7-5-6-16(23)12-17/h5-13,21,25H,4H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.13E+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 inhibition of LPS-stimulated PGE2 production 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
Cyclooxygenase (Homo sapiens (Human))	BDBM50253489 ((+/-)-Ethyl-[2-hydroxy-2-[1-(3-fluoro)phenyl-2-met...) Show SMILES CCOC(=O)C(O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C22H22FNO5S/c1-4-29-22(26)21(25)19-13-20(15-8-10-18(11-9-15)30(3,27)28)24(14(19)2)17-7-5-6-16(23)12-17/h5-13,21,25H,4H2,1-3H3	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	3.80E+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 human whole blood assessed as inhibition of TXB2 production 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
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50253489 ((+/-)-Ethyl-[2-hydroxy-2-[1-(3-fluoro)phenyl-2-met...) Show SMILES CCOC(=O)C(O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C22H22FNO5S/c1-4-29-22(26)21(25)19-13-20(15-8-10-18(11-9-15)30(3,27)28)24(14(19)2)17-7-5-6-16(23)12-17/h5-13,21,25H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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)	BDBM50253489 ((+/-)-Ethyl-[2-hydroxy-2-[1-(3-fluoro)phenyl-2-met...) Show SMILES CCOC(=O)C(O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C22H22FNO5S/c1-4-29-22(26)21(25)19-13-20(15-8-10-18(11-9-15)30(3,27)28)24(14(19)2)17-7-5-6-16(23)12-17/h5-13,21,25H,4H2,1-3H3	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 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