BDBM50422583 CHEMBL134774

SMILES: CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cccc2ccccc12

InChI Key: InChIKey=YAFGADPAZOCEFD-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 = 50422583   

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))	BDBM50422583 (CHEMBL134774) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cccc2ccccc12 |(12.3,-6.58,;10.94,-5.8,;11.72,-4.44,;10.16,-7.15,;9.59,-5.01,;9.59,-3.47,;8.24,-2.7,;6.91,-3.47,;6.91,-5.01,;8.24,-5.78,;5.57,-2.7,;4.22,-3.47,;2.9,-2.7,;1.57,-3.47,;.22,-2.7,;.22,-1.15,;1.57,-.38,;2.9,-1.15,;4.22,-.38,;4.22,1.16,;5.57,-1.15,;6.91,-.38,;8.24,-1.15,;9.57,-.38,;9.57,1.16,;8.23,1.92,;8.21,3.45,;6.9,4.22,;5.56,3.44,;5.57,1.91,;6.91,1.16,)| Show InChI InChI=1S/C26H18O4S/c1-31(28,29)19-15-13-18(14-16-19)26-24(25(27)22-10-4-5-12-23(22)30-26)21-11-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.75E+3	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))	BDBM50422583 (CHEMBL134774) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cccc2ccccc12 |(12.3,-6.58,;10.94,-5.8,;11.72,-4.44,;10.16,-7.15,;9.59,-5.01,;9.59,-3.47,;8.24,-2.7,;6.91,-3.47,;6.91,-5.01,;8.24,-5.78,;5.57,-2.7,;4.22,-3.47,;2.9,-2.7,;1.57,-3.47,;.22,-2.7,;.22,-1.15,;1.57,-.38,;2.9,-1.15,;4.22,-.38,;4.22,1.16,;5.57,-1.15,;6.91,-.38,;8.24,-1.15,;9.57,-.38,;9.57,1.16,;8.23,1.92,;8.21,3.45,;6.9,4.22,;5.56,3.44,;5.57,1.91,;6.91,1.16,)| Show InChI InChI=1S/C26H18O4S/c1-31(28,29)19-15-13-18(14-16-19)26-24(25(27)22-10-4-5-12-23(22)30-26)21-11-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+6	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