BDBM50120573 (S)-5-Ethyl-3-isopropoxy-4-(4-methanesulfonyl-phenyl)-5-methyl-5H-furan-2-one::5-Ethyl-3-isopropoxy-4-(4-methanesulfonyl-phenyl)-5-methyl-5H-furan-2-one::CHEMBL443278

SMILES: CC[C@]1(C)OC(=O)C(OC(C)C)=C1c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=FZYAFLPJDVKKQI-KRWDZBQOSA-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 = 50120573   

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))	BDBM50120573 ((S)-5-Ethyl-3-isopropoxy-4-(4-methanesulfonyl-phen...) Show SMILES CC[C@]1(C)OC(=O)C(OC(C)C)=C1c1ccc(cc1)S(C)(=O)=O |c:11| Show InChI InChI=1S/C17H22O5S/c1-6-17(4)14(15(16(18)22-17)21-11(2)3)12-7-9-13(10-8-12)23(5,19)20/h7-11H,6H2,1-5H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibitory potency of the compound was determined against Prostaglandin G/H synthase 1 in human whole blood assay				Bioorg Med Chem Lett 12: 3317-20 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9VZ6
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50120573 ((S)-5-Ethyl-3-isopropoxy-4-(4-methanesulfonyl-phen...) Show SMILES CC[C@]1(C)OC(=O)C(OC(C)C)=C1c1ccc(cc1)S(C)(=O)=O |c:11| Show InChI InChI=1S/C17H22O5S/c1-6-17(4)14(15(16(18)22-17)21-11(2)3)12-7-9-13(10-8-12)23(5,19)20/h7-11H,6H2,1-5H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against prostaglandin G/H synthase 2 of human whole blood				Bioorg Med Chem Lett 15: 2259-63 (2005) Article DOI: 10.1016/j.bmcl.2005.03.009 BindingDB Entry DOI: 10.7270/Q2M32V8X
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50120573 ((S)-5-Ethyl-3-isopropoxy-4-(4-methanesulfonyl-phen...) Show SMILES CC[C@]1(C)OC(=O)C(OC(C)C)=C1c1ccc(cc1)S(C)(=O)=O |c:11| Show InChI InChI=1S/C17H22O5S/c1-6-17(4)14(15(16(18)22-17)21-11(2)3)12-7-9-13(10-8-12)23(5,19)20/h7-11H,6H2,1-5H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibitory potency of the compound was determined against Prostaglandin G/H synthase 2 in human whole blood assay				Bioorg Med Chem Lett 12: 3317-20 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9VZ6
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50120573 ((S)-5-Ethyl-3-isopropoxy-4-(4-methanesulfonyl-phen...) Show SMILES CC[C@]1(C)OC(=O)C(OC(C)C)=C1c1ccc(cc1)S(C)(=O)=O |c:11| Show InChI InChI=1S/C17H22O5S/c1-6-17(4)14(15(16(18)22-17)21-11(2)3)12-7-9-13(10-8-12)23(5,19)20/h7-11H,6H2,1-5H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against prostaglandin G/H synthase 1 of human whole blood				Bioorg Med Chem Lett 15: 2259-63 (2005) Article DOI: 10.1016/j.bmcl.2005.03.009 BindingDB Entry DOI: 10.7270/Q2M32V8X
					More data for this Ligand-Target Pair