BDBM50293280 3-(4-(hydroxymethyl)phenyl)-4-(4-(methylsulfonyl)phenyl)-1-propyl-1H-pyrrol-2(5H)-one::CHEMBL469785

SMILES: CCCN1CC(=C(C1=O)c1ccc(CO)cc1)c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=HOQRPUGACQIBBI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50293280   

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 (Homo sapiens (Human))	BDBM50293280 (3-(4-(hydroxymethyl)phenyl)-4-(4-(methylsulfonyl)p...) Show SMILES CCCN1CC(=C(C1=O)c1ccc(CO)cc1)c1ccc(cc1)S(C)(=O)=O |c:5| Show InChI InChI=1S/C21H23NO4S/c1-3-12-22-13-19(16-8-10-18(11-9-16)27(2,25)26)20(21(22)24)17-6-4-15(14-23)5-7-17/h4-11,23H,3,12-14H2,1-2H3	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	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX2 activity				Bioorg Med Chem Lett 19: 2270-2 (2009) Article DOI: 10.1016/j.bmcl.2009.02.090 BindingDB Entry DOI: 10.7270/Q2CF9PZR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus)	BDBM50293280 (3-(4-(hydroxymethyl)phenyl)-4-(4-(methylsulfonyl)p...) Show SMILES CCCN1CC(=C(C1=O)c1ccc(CO)cc1)c1ccc(cc1)S(C)(=O)=O |c:5| Show InChI InChI=1S/C21H23NO4S/c1-3-12-22-13-19(16-8-10-18(11-9-16)27(2,25)26)20(21(22)24)17-6-4-15(14-23)5-7-17/h4-11,23H,3,12-14H2,1-2H3	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	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in mouse peritoneal macrophages				Bioorg Med Chem Lett 19: 2270-2 (2009) Article DOI: 10.1016/j.bmcl.2009.02.090 BindingDB Entry DOI: 10.7270/Q2CF9PZR
					More data for this Ligand-Target Pair
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50293280 (3-(4-(hydroxymethyl)phenyl)-4-(4-(methylsulfonyl)p...) Show SMILES CCCN1CC(=C(C1=O)c1ccc(CO)cc1)c1ccc(cc1)S(C)(=O)=O |c:5| Show InChI InChI=1S/C21H23NO4S/c1-3-12-22-13-19(16-8-10-18(11-9-16)27(2,25)26)20(21(22)24)17-6-4-15(14-23)5-7-17/h4-11,23H,3,12-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse peritoneal macrophages				Bioorg Med Chem Lett 19: 2270-2 (2009) Article DOI: 10.1016/j.bmcl.2009.02.090 BindingDB Entry DOI: 10.7270/Q2CF9PZR
					More data for this Ligand-Target Pair