BDBM50281113 2,6-dihydroxy-7-methylcarbonyloxy-5-[3-(2-methyl-1-methylcarbonyloxy-3-phenylpropyl)-3-butenyl]-4,8-dioxabicyclo[3.2.1]octane-1,2,3-tricarboxylic acid::CHEMBL314078

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

InChI Key: InChIKey=ZDTKVVYJPVMYES-SQEWKZTKSA-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 = 50281113   

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)	BDBM50281113 (2,6-dihydroxy-7-methylcarbonyloxy-5-[3-(2-methyl-1...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(C)=O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C27H32O14/c1-13(18(38-15(3)28)14(2)12-17-8-6-5-7-9-17)10-11-25-19(30)20(39-16(4)29)27(41-25,24(35)36)26(37,23(33)34)21(40-25)22(31)32/h5-9,14,18-21,30,37H,1,10-12H2,2-4H3,(H,31,32)(H,33,34)(H,35,36)/t14-,18-,19-,20-,21-,25+,26-,27+/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	2	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