null

SMILES: CCCC(=O)O[C@@H]1[C@@H](OC(=O)CCC)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O

InChI Key: InChIKey=SVFVLTOWILALBP-VHGNZEIKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50281112   

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))	BDBM50281112 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CCCC(=O)O[C@@H]1[C@@H](OC(=O)CCC)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O Show InChI InChI=1S/C33H42O15/c1-6-11-22(35)45-25-26(46-23(36)12-7-2)33(30(41)42)32(43,29(39)40)27(28(37)38)47-31(25,48-33)16-15-18(3)24(44-20(5)34)19(4)17-21-13-9-8-10-14-21/h8-10,13-14,19,24-27,43H,3,6-7,11-12,15-17H2,1-2,4-5H3,(H,37,38)(H,39,40)(H,41,42)/t19-,24-,25-,26-,27-,31+,32-,33+/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	>147	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)	BDBM50281112 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CCCC(=O)O[C@@H]1[C@@H](OC(=O)CCC)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O Show InChI InChI=1S/C33H42O15/c1-6-11-22(35)45-25-26(46-23(36)12-7-2)33(30(41)42)32(43,29(39)40)27(28(37)38)47-31(25,48-33)16-15-18(3)24(44-20(5)34)19(4)17-21-13-9-8-10-14-21/h8-10,13-14,19,24-27,43H,3,6-7,11-12,15-17H2,1-2,4-5H3,(H,37,38)(H,39,40)(H,41,42)/t19-,24-,25-,26-,27-,31+,32-,33+/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	59	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