BDBM50382186 CHEMBL1907465

SMILES: COc1ccccc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1

InChI Key: InChIKey=QCNGIJIVWHSJHP-UHFFFAOYSA-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 = 50382186   

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 (Homo sapiens (Human))	BDBM50382186 (CHEMBL1907465) Show SMILES COc1ccccc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1 Show InChI InChI=1S/C22H18N2O2S/c1-25-21-10-6-5-9-19(21)20-15-27-22(24-20)23-16-11-13-18(14-12-16)26-17-7-3-2-4-8-17/h2-15H,1H3,(H,23,24)	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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of COX2 by fluorescence assay				Bioorg Med Chem Lett 22: 3567-70 (2012) Article DOI: 10.1016/j.bmcl.2012.03.013 BindingDB Entry DOI: 10.7270/Q2RB75MP
					More data for this Ligand-Target Pair