Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50312673'   

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 (Mus musculus (Mouse))	BDBM50312673 ((S)-N-{(Succinylpodophyllotoxinyl)but-4-yl}-2-(6-m...) Show SMILES COc1ccc2cc(ccc2c1)[C@@H](C)C(=O)NCCCCNC(=O)CCC(=O)O[C@H]1[C@@H]2COC(=O)[C@H]2[C@@H](c2cc(OC)c(OC)c(OC)c2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C44H48N2O12/c1-24(25-8-9-27-17-29(51-2)11-10-26(27)16-25)43(49)46-15-7-6-14-45-37(47)12-13-38(48)58-41-31-21-34-33(56-23-57-34)20-30(31)39(40-32(41)22-55-44(40)50)28-18-35(52-3)42(54-5)36(19-28)53-4/h8-11,16-21,24,32,39-41H,6-7,12-15,22-23H2,1-5H3,(H,45,47)(H,46,49)/t24-,32-,39+,40-,41-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse COX2				Bioorg Med Chem Lett 20: 1787-91 (2010) Article DOI: 10.1016/j.bmcl.2010.01.009 BindingDB Entry DOI: 10.7270/Q2J966H5
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