BDBM50218965 CHEMBL45396

SMILES: CC(=O)c1cccc(c1)C1=C(OC(C)(C)C1=O)c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=UZMDRBXCKGDLMV-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 = 50218965   

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))	BDBM50218965 (CHEMBL45396) Show SMILES CC(=O)c1cccc(c1)C1=C(OC(C)(C)C1=O)c1ccc(cc1)S(C)(=O)=O |t:10| Show InChI InChI=1S/C21H20O5S/c1-13(22)15-6-5-7-16(12-15)18-19(26-21(2,3)20(18)23)14-8-10-17(11-9-14)27(4,24)25/h5-12H,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Pacific Corporation R&D Center Curated by ChEMBL					Assay Description Ability to inhibit Prostaglandin G/H synthase 2 by using freshly harvested mouse peritoneal macrophages				Bioorg Med Chem Lett 11: 165-8 (2001) BindingDB Entry DOI: 10.7270/Q2Z03BB2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus (Mouse))	BDBM50218965 (CHEMBL45396) Show SMILES CC(=O)c1cccc(c1)C1=C(OC(C)(C)C1=O)c1ccc(cc1)S(C)(=O)=O |t:10| Show InChI InChI=1S/C21H20O5S/c1-13(22)15-6-5-7-16(12-15)18-19(26-21(2,3)20(18)23)14-8-10-17(11-9-14)27(4,24)25/h5-12H,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
AmorePacific R&D Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method				J Med Chem 47: 792-804 (2004) Article DOI: 10.1021/jm020545z BindingDB Entry DOI: 10.7270/Q2QZ2DPG
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus)	BDBM50218965 (CHEMBL45396) Show SMILES CC(=O)c1cccc(c1)C1=C(OC(C)(C)C1=O)c1ccc(cc1)S(C)(=O)=O |t:10| Show InChI InChI=1S/C21H20O5S/c1-13(22)15-6-5-7-16(12-15)18-19(26-21(2,3)20(18)23)14-8-10-17(11-9-14)27(4,24)25/h5-12H,1-4H3	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	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
AmorePacific R&D Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against prostaglandin G/H synthase 1 using mouse peritoneal macrophage method				J Med Chem 47: 792-804 (2004) Article DOI: 10.1021/jm020545z BindingDB Entry DOI: 10.7270/Q2QZ2DPG
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus)	BDBM50218965 (CHEMBL45396) Show SMILES CC(=O)c1cccc(c1)C1=C(OC(C)(C)C1=O)c1ccc(cc1)S(C)(=O)=O |t:10| Show InChI InChI=1S/C21H20O5S/c1-13(22)15-6-5-7-16(12-15)18-19(26-21(2,3)20(18)23)14-8-10-17(11-9-14)27(4,24)25/h5-12H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pacific Corporation R&D Center Curated by ChEMBL					Assay Description Ability to inhibit Prostaglandin G/H synthase 1 by using freshly harvested mouse peritoneal macrophages				Bioorg Med Chem Lett 11: 165-8 (2001) BindingDB Entry DOI: 10.7270/Q2Z03BB2
					More data for this Ligand-Target Pair