null

SMILES: COc1ccc(cc1)-c1nc(SC)nnc1-c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=ATDQDQLMBRWASH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50495223   

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 2 (Ovis aries (Sheep))	BDBM50495223 (CHEMBL3103779) Show SMILES COc1ccc(cc1)-c1nc(SC)nnc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H17N3O3S2/c1-24-14-8-4-12(5-9-14)16-17(20-21-18(19-16)25-2)13-6-10-15(11-7-13)26(3,22)23/h4-11H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX2 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50495223 (CHEMBL3103779) Show SMILES COc1ccc(cc1)-c1nc(SC)nnc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H17N3O3S2/c1-24-14-8-4-12(5-9-14)16-17(20-21-18(19-16)25-2)13-6-10-15(11-7-13)26(3,22)23/h4-11H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					More data for this Ligand-Target Pair