BDBM50474739 CHEMBL166706

SMILES: Cn1cc(cn1)C1=C(OC(C)(C)C1=O)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=XGCYTUGWLKNUHM-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 = 50474739   

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))	BDBM50474739 (CHEMBL166706) Show SMILES Cn1cc(cn1)C1=C(OC(C)(C)C1=O)c1ccc(cc1)S(N)(=O)=O |t:7| Show InChI InChI=1S/C16H17N3O4S/c1-16(2)15(20)13(11-8-18-19(3)9-11)14(23-16)10-4-6-12(7-5-10)24(17,21)22/h4-9H,1-3H3,(H2,17,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	86.4	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)	BDBM50474739 (CHEMBL166706) Show SMILES Cn1cc(cn1)C1=C(OC(C)(C)C1=O)c1ccc(cc1)S(N)(=O)=O |t:7| Show InChI InChI=1S/C16H17N3O4S/c1-16(2)15(20)13(11-8-18-19(3)9-11)14(23-16)10-4-6-12(7-5-10)24(17,21)22/h4-9H,1-3H3,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.87E+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