Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50283083'   

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
Squalene synthase (Homo sapiens (Human))	BDBM50283083 (2-(4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-...) Show SMILES CC(Cc1ccccc1)C(OC(C)=O)C(=C)CCC1OC(C(O)=O)C(O)(C(O1)C(O)=O)C(O)=O |(12.98,-2.74,;12.98,-4.29,;14.32,-5.06,;15.65,-4.29,;15.65,-2.74,;16.98,-1.97,;18.32,-2.74,;18.32,-4.29,;16.98,-5.06,;11.65,-5.06,;11.65,-6.6,;10.32,-7.37,;10.32,-8.92,;8.99,-6.6,;10.32,-4.3,;10.32,-2.76,;8.99,-5.07,;7.72,-4.36,;6.46,-5.08,;5.15,-5.46,;3.52,-4.82,;2.98,-3.37,;1.46,-3.09,;3.98,-2.18,;2.74,-6.18,;2.74,-7.72,;3.94,-5.76,;5.64,-6.37,;4.33,-7.26,;5.81,-7.65,;3.44,-8.47,;1.25,-5.78,;.48,-4.43,;.85,-7.26,)| Show InChI InChI=1S/C23H28O11/c1-12(17(32-14(3)24)13(2)11-15-7-5-4-6-8-15)9-10-16-33-18(20(25)26)23(31,22(29)30)19(34-16)21(27)28/h4-8,13,16-19,31H,1,9-11H2,2-3H3,(H,25,26)(H,27,28)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against Candida albicans squalene synthase				Bioorg Med Chem Lett 4: 2155-2160 (1994) Article DOI: 10.1016/S0960-894X(00)80062-1 BindingDB Entry DOI: 10.7270/Q2KP8230
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50283083 (2-(4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-...) Show SMILES CC(Cc1ccccc1)C(OC(C)=O)C(=C)CCC1OC(C(O)=O)C(O)(C(O1)C(O)=O)C(O)=O |(12.98,-2.74,;12.98,-4.29,;14.32,-5.06,;15.65,-4.29,;15.65,-2.74,;16.98,-1.97,;18.32,-2.74,;18.32,-4.29,;16.98,-5.06,;11.65,-5.06,;11.65,-6.6,;10.32,-7.37,;10.32,-8.92,;8.99,-6.6,;10.32,-4.3,;10.32,-2.76,;8.99,-5.07,;7.72,-4.36,;6.46,-5.08,;5.15,-5.46,;3.52,-4.82,;2.98,-3.37,;1.46,-3.09,;3.98,-2.18,;2.74,-6.18,;2.74,-7.72,;3.94,-5.76,;5.64,-6.37,;4.33,-7.26,;5.81,-7.65,;3.44,-8.47,;1.25,-5.78,;.48,-4.43,;.85,-7.26,)| Show InChI InChI=1S/C23H28O11/c1-12(17(32-14(3)24)13(2)11-15-7-5-4-6-8-15)9-10-16-33-18(20(25)26)23(31,22(29)30)19(34-16)21(27)28/h4-8,13,16-19,31H,1,9-11H2,2-3H3,(H,25,26)(H,27,28)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against rat liver squalene synthase				Bioorg Med Chem Lett 4: 2155-2160 (1994) Article DOI: 10.1016/S0960-894X(00)80062-1 BindingDB Entry DOI: 10.7270/Q2KP8230
					More data for this Ligand-Target Pair