Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50317925'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50317925 ((2R*,4R*,6S*)-2-(4-Bromophenyl)-6-((ethylthio)meth...) Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccc(Br)cc1)c1ccccc1 |r| Show InChI InChI=1S/C20H23BrO2S/c1-2-24-14-18-12-20(22,16-6-4-3-5-7-16)13-19(23-18)15-8-10-17(21)11-9-15/h3-11,18-19,22H,2,12-14H2,1H3/t18-,19+,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method				J Med Chem 53: 3707-17 (2010) Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF
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