BDBM50472629 CHEMBL62874

SMILES: CC(C)(C)c1cc(\C=C2\CCN(O)S2(=O)=O)cc(c1O)C(C)(C)C

InChI Key: InChIKey=ZHHHCZJNXYVNJZ-LCYFTJDESA-N

Data: 1 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 1 hit for monomerid = 50472629   

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
Cyclooxygenase (RAT)	BDBM50472629 (CHEMBL62874) Show SMILES CC(C)(C)c1cc(\C=C2\CCN(O)S2(=O)=O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C18H27NO4S/c1-17(2,3)14-10-12(11-15(16(14)20)18(4,5)6)9-13-7-8-19(21)24(13,22)23/h9-11,20-21H,7-8H2,1-6H3/b13-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair