Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50312675'   

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))	BDBM50312675 ((R)-Podophyllotoxinyl 4-(2-phenylpropylamino)-4-ox...) Show SMILES COc1cc(cc(OC)c1OC)[C@@H]1[C@H]2[C@@H](COC2=O)[C@H](OC(=O)CCC(=O)NC[C@H](C)c2ccccc2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C35H37NO10/c1-19(20-8-6-5-7-9-20)16-36-29(37)10-11-30(38)46-33-23-15-26-25(44-18-45-26)14-22(23)31(32-24(33)17-43-35(32)39)21-12-27(40-2)34(42-4)28(13-21)41-3/h5-9,12-15,19,24,31-33H,10-11,16-18H2,1-4H3,(H,36,37)/t19-,24+,31-,32+,33+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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 ovine COX1				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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