BDBM50281079 (1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-4,6,7-trihydroxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid 4-methyl ester::CHEMBL310898

SMILES: COC(=O)[C@]1(O)[C@H](O[C@@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1([C@H](O)[C@H]2O)C(O)=O)C(O)=O

InChI Key: InChIKey=SVCHDMWNEHYJOZ-HJCGNFHPSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50281079   

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 synthetase (Rattus norvegicus)	BDBM50281079 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES COC(=O)[C@]1(O)[C@H](O[C@@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1([C@H](O)[C@H]2O)C(O)=O)C(O)=O Show InChI InChI=1S/C26H32O13/c1-13(17(37-15(3)27)14(2)12-16-8-6-5-7-9-16)10-11-24-18(28)19(29)26(39-24,22(32)33)25(35,23(34)36-4)20(38-24)21(30)31/h5-9,14,17-20,28-29,35H,1,10-12H2,2-4H3,(H,30,31)(H,32,33)/t14-,17-,18-,19-,20-,24+,25-,26+/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	355	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme				Bioorg Med Chem Lett 3: 2541-2546 (1993) Article DOI: 10.1016/S0960-894X(01)80713-7 BindingDB Entry DOI: 10.7270/Q26Q1XQP
					More data for this Ligand-Target Pair