BDBM50382180 CHEMBL2023859

SMILES: Clc1ccccc1-c1csc(Nc2ccc3OCOc3c2)n1

InChI Key: InChIKey=OKSGHBGVUFNOOY-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 = 50382180   

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))	BDBM50382180 (CHEMBL2023859) Show SMILES Clc1ccccc1-c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C16H11ClN2O2S/c17-12-4-2-1-3-11(12)13-8-22-16(19-13)18-10-5-6-14-15(7-10)21-9-20-14/h1-8H,9H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	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