BDBM50422578 CHEMBL422623

SMILES: CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=S)c1-c1ccccc1

InChI Key: InChIKey=IDYBRYMFBQKRBI-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 = 50422578   

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))	BDBM50422578 (CHEMBL422623) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=S)c1-c1ccccc1 Show InChI InChI=1S/C22H16O3S2/c1-27(23,24)17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)22(26)18-9-5-6-10-19(18)25-21/h2-14H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
AmorePacific Corporation R&D Center Curated by ChEMBL					Assay Description In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages				Bioorg Med Chem Lett 13: 413-7 (2003) BindingDB Entry DOI: 10.7270/Q29Z973Q
					More data for this Ligand-Target Pair
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50422578 (CHEMBL422623) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=S)c1-c1ccccc1 Show InChI InChI=1S/C22H16O3S2/c1-27(23,24)17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)22(26)18-9-5-6-10-19(18)25-21/h2-14H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
Devi Ahilya Vishwavidyalaya Curated by ChEMBL					Assay Description In vitro inhibitory activity against Prostaglandin G/H synthase 2 from mouse peritoneal macrophages				Bioorg Med Chem Lett 14: 4005-11 (2004) Article DOI: 10.1016/j.bmcl.2004.05.059 BindingDB Entry DOI: 10.7270/Q2C24XQT
					More data for this Ligand-Target Pair