BDBM50422582 CHEMBL334335

SMILES: NS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc2OCOc2c1

InChI Key: InChIKey=VKPMYIGLKDLTEV-UHFFFAOYSA-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 = 50422582   

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
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus (Mouse))	BDBM50422582 (CHEMBL334335) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc2OCOc2c1 Show InChI InChI=1S/C22H15NO6S/c23-30(25,26)15-8-5-13(6-9-15)22-20(14-7-10-18-19(11-14)28-12-27-18)21(24)16-3-1-2-4-17(16)29-22/h1-11H,12H2,(H2,23,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	925	n/a	n/a	n/a	n/a	n/a	n/a
AmorePacific Corporation R&D Center Curated by ChEMBL					Assay Description In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages				Bioorg Med Chem Lett 13: 413-7 (2003) BindingDB Entry DOI: 10.7270/Q29Z973Q
					More data for this Ligand-Target Pair
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50422582 (CHEMBL334335) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc2OCOc2c1 Show InChI InChI=1S/C22H15NO6S/c23-30(25,26)15-8-5-13(6-9-15)22-20(14-7-10-18-19(11-14)28-12-27-18)21(24)16-3-1-2-4-17(16)29-22/h1-11H,12H2,(H2,23,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Devi Ahilya Vishwavidyalaya Curated by ChEMBL					Assay Description In vitro inhibitory activity against Prostaglandin G/H synthase 2 from mouse peritoneal macrophages				Bioorg Med Chem Lett 14: 4005-11 (2004) Article DOI: 10.1016/j.bmcl.2004.05.059 BindingDB Entry DOI: 10.7270/Q2C24XQT
					More data for this Ligand-Target Pair