null

SMILES: C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)CCCCCCc3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O

InChI Key: InChIKey=DZXNRBMUXIGTCI-NPMPBPQBSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50281116   

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 (Homo sapiens (Human))	BDBM50281116 ((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)CCCCCCc3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C38H46O14/c1-23(29(49-25(3)39)24(2)22-27-17-11-7-12-18-27)20-21-36-30(41)31(50-28(40)19-13-5-4-8-14-26-15-9-6-10-16-26)38(52-36,35(46)47)37(48,34(44)45)32(51-36)33(42)43/h6-7,9-12,15-18,24,29-32,41,48H,1,4-5,8,13-14,19-22H2,2-3H3,(H,42,43)(H,44,45)(H,46,47)/t24-,29-,30-,31-,32-,36+,37-,38+/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	7	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
Squalene synthase (Rattus norvegicus)	BDBM50281116 ((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)CCCCCCc3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C38H46O14/c1-23(29(49-25(3)39)24(2)22-27-17-11-7-12-18-27)20-21-36-30(41)31(50-28(40)19-13-5-4-8-14-26-15-9-6-10-16-26)38(52-36,35(46)47)37(48,34(44)45)32(51-36)33(42)43/h6-7,9-12,15-18,24,29-32,41,48H,1,4-5,8,13-14,19-22H2,2-3H3,(H,42,43)(H,44,45)(H,46,47)/t24-,29-,30-,31-,32-,36+,37-,38+/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	9	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