Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50528364'   

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))	BDBM50528364 (CHEMBL4453592) Show SMILES [H][C@@]12CC(C)(C)C(=O)C[C@]1(C)CC[C@]1(C)C2=CC2OC(=O)CC(O)[C@@]3(C)[C@@H](CC[C@]1(C)[C@]23[H])C(C)C |r,t:17| Show InChI InChI=1S/C30H46O4/c1-17(2)18-9-10-29(7)25-21(34-24(33)14-22(31)30(18,25)8)13-19-20-15-26(3,4)23(32)16-27(20,5)11-12-28(19,29)6/h13,17-18,20-22,25,31H,9-12,14-16H2,1-8H3/t18-,20-,21?,22?,25-,27-,28+,29+,30+/m0/s1	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	4.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 179: 272-309 (2019) Article DOI: 10.1016/j.ejmech.2019.06.034 BindingDB Entry DOI: 10.7270/Q2FX7DXP
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