BDBM50331900 CHEMBL1289227::E-6-Chloro-3-[[4-(methylsulfonyl)phenyl]methylene]-indolin-2-one
SMILES: CS(=O)(=O)c1ccc(\C=C2\C(=O)Nc3cc(Cl)ccc23)cc1
InChI Key: InChIKey=SBWAYPHCJJARIX-RIYZIHGNSA-N
Data: 2 IC50
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 (Oryctolagus cuniculus) | BDBM50331900 (CHEMBL1289227 | E-6-Chloro-3-[[4-(methylsulfonyl)p...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c... | Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-1 (Oryctolagus cuniculus) | BDBM50331900 (CHEMBL1289227 | E-6-Chloro-3-[[4-(methylsulfonyl)p...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of COX-1 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs by HPLC in presence of c... | Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ | |||||||||||
More data for this Ligand-Target Pair |