Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50464841'   

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 2 (Homo sapiens (Human))	BDBM50464841 (CHEMBL4277617) Show SMILES OC(=O)c1ccc(cc1)-n1cc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)nn1 Show InChI InChI=1S/C24H17N5O3S/c30-22-20-8-4-5-9-21(20)25-24(29(22)19-6-2-1-3-7-19)33-15-17-14-28(27-26-17)18-12-10-16(11-13-18)23(31)32/h1-14H,15H2,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha production using arachidonic acid as substrate by colorimetric method				Eur J Med Chem 144: 635-650 (2018) Article DOI: 10.1016/j.ejmech.2017.12.065 BindingDB Entry DOI: 10.7270/Q2FX7D4C
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