BDBM50088508 CHEMBL3526978

SMILES: COc1cc(ccc1C#CC1CC1)C(=O)NS(=O)(=O)c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=KFWMCPHFJZDJRJ-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 = 50088508   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50088508 (CHEMBL3526978) Show SMILES COc1cc(ccc1C#CC1CC1)C(=O)NS(=O)(=O)c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C19H18N2O6S2/c1-27-16-12-15(11-10-14(16)9-8-13-6-7-13)19(22)21-29(25,26)18-5-3-2-4-17(18)28(20,23)24/h2-5,10-13H,6-7H2,1H3,(H,21,22)(H2,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human mPGES-1 expressed in Sf9 insect cells assessed as reduction in conversion of PGH2 to PGE2 preincubated for 15 mins followed by su...				Bioorg Med Chem Lett 26: 5977-5984 (2016) Article DOI: 10.1016/j.bmcl.2016.10.079 BindingDB Entry DOI: 10.7270/Q2XK8HJ8
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50088508 (CHEMBL3526978) Show SMILES COc1cc(ccc1C#CC1CC1)C(=O)NS(=O)(=O)c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C19H18N2O6S2/c1-27-16-12-15(11-10-14(16)9-8-13-6-7-13)19(22)21-29(25,26)18-5-3-2-4-17(18)28(20,23)24/h2-5,10-13H,6-7H2,1H3,(H,21,22)(H2,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human mPGES-1 by whole blood assay				Drug Metab Dispos 41: 634-41 (2013) Article DOI: 10.1124/dmd.112.048983 BindingDB Entry DOI: 10.7270/Q2JM2CC1
					More data for this Ligand-Target Pair