Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM113763'   

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))	BDBM113763 (β-Caryophyllene (1) | β-humulene | (W...) Show SMILES C\C1=C/CCC(=C)[C@@H]2CC(C)(C)[C@@H]2CC1 |r,c:1| Show InChI InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	8.0	25
University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland.					Assay Description Tested compounds (50 uM), DuP-597 (0.5 uM; positive control), 11f and 11eie(1 nM - 200 uM ) or vehicle were pre-incubated with COX-FIS assay buffer (...				ACS Chem Biol 9: 1499-507 (2014) Article DOI: 10.1021/cb500177c BindingDB Entry DOI: 10.7270/Q2T15295
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM113763 (β-Caryophyllene (1) | β-humulene | (W...) Show SMILES C\C1=C/CCC(=C)[C@@H]2CC(C)(C)[C@@H]2CC1 |r,c:1| Show InChI InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	8.0	25
University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland.					Assay Description Tested compounds (50 uM), DuP-597 (0.5 uM; positive control), 11f and 11eie(1 nM - 200 uM ) or vehicle were pre-incubated with COX-FIS assay buffer (...				ACS Chem Biol 9: 1499-507 (2014) Article DOI: 10.1021/cb500177c BindingDB Entry DOI: 10.7270/Q2T15295
					More data for this Ligand-Target Pair