Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM113768'   

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))	BDBM113768 ((E)-N-(3,4-Dihydroxyphenethyl)-6-((1R,2R)-3,3-dime...) Show SMILES CC(=C)CC[C@@H]1[C@@H](CC1(C)C)C(=C)CC\C=C\C(=O)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C26H37NO3/c1-18(2)10-12-22-21(17-26(22,4)5)19(3)8-6-7-9-25(30)27-15-14-20-11-13-23(28)24(29)16-20/h7,9,11,13,16,21-22,28-29H,1,3,6,8,10,12,14-15,17H2,2,4-5H3,(H,27,30)/b9-7+/t21-,22+/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	800	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))	BDBM113768 ((E)-N-(3,4-Dihydroxyphenethyl)-6-((1R,2R)-3,3-dime...) Show SMILES CC(=C)CC[C@@H]1[C@@H](CC1(C)C)C(=C)CC\C=C\C(=O)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C26H37NO3/c1-18(2)10-12-22-21(17-26(22,4)5)19(3)8-6-7-9-25(30)27-15-14-20-11-13-23(28)24(29)16-20/h7,9,11,13,16,21-22,28-29H,1,3,6,8,10,12,14-15,17H2,2,4-5H3,(H,27,30)/b9-7+/t21-,22+/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	8.90E+3	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