null

SMILES: CC(C)(C)c1cc(NCc2cccs2)nc(n1)-c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=ADAAPCVTXUOYLW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50373590   

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 (Homo sapiens (Human))	BDBM50373590 (CHEMBL405071) Show SMILES CC(C)(C)c1cc(NCc2cccs2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H23N3O2S2/c1-20(2,3)17-12-18(21-13-15-6-5-11-26-15)23-19(22-17)14-7-9-16(10-8-14)27(4,24)25/h5-12H,13H2,1-4H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.1	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373590 (CHEMBL405071) Show SMILES CC(C)(C)c1cc(NCc2cccs2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H23N3O2S2/c1-20(2,3)17-12-18(21-13-15-6-5-11-26-15)23-19(22-17)14-7-9-16(10-8-14)27(4,24)25/h5-12H,13H2,1-4H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.22E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of COX2 in Homo sapiens (human) whole blood				Citation and Details Article DOI: 10.1007/s00044-011-9566-8 BindingDB Entry DOI: 10.7270/Q2Q81GZM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373590 (CHEMBL405071) Show SMILES CC(C)(C)c1cc(NCc2cccs2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H23N3O2S2/c1-20(2,3)17-12-18(21-13-15-6-5-11-26-15)23-19(22-17)14-7-9-16(10-8-14)27(4,24)25/h5-12H,13H2,1-4H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of COX2 in Homo sapiens (human) whole blood				Citation and Details Article DOI: 10.1007/s00044-011-9566-8 BindingDB Entry DOI: 10.7270/Q2Q81GZM
					More data for this Ligand-Target Pair