null

SMILES: C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)C3CCCCC3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O

InChI Key: InChIKey=GSVARVSEQLLQDR-IHQVGLRUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50281110   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Squalene synthase (Rattus norvegicus)	BDBM50281110 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)C3CCCCC3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C32H40O14/c1-17(22(43-19(3)33)18(2)16-20-10-6-4-7-11-20)14-15-30-23(34)24(44-27(37)21-12-8-5-9-13-21)32(46-30,29(40)41)31(42,28(38)39)25(45-30)26(35)36/h4,6-7,10-11,18,21-25,34,42H,1,5,8-9,12-16H2,2-3H3,(H,35,36)(H,38,39)(H,40,41)/t18-,22-,23-,24-,25-,30+,31-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50281110 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)C3CCCCC3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C32H40O14/c1-17(22(43-19(3)33)18(2)16-20-10-6-4-7-11-20)14-15-30-23(34)24(44-27(37)21-12-8-5-9-13-21)32(46-30,29(40)41)31(42,28(38)39)25(45-30)26(35)36/h4,6-7,10-11,18,21-25,34,42H,1,5,8-9,12-16H2,2-3H3,(H,35,36)(H,38,39)(H,40,41)/t18-,22-,23-,24-,25-,30+,31-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Candida albicans squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					More data for this Ligand-Target Pair