BDBM50051870 (1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-3-acetyl-4,6,7-trihydroxy-2,8-dioxa-bicyclo[3.2.1]octane-4,5-dicarboxylic acid::CHEMBL31129

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

InChI Key: InChIKey=XVJDYGZYSUHJJS-JCCMDRTQSA-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 = 50051870   

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)	BDBM50051870 ((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](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(C)=O)C(O)=O Show InChI InChI=1S/C26H32O12/c1-13(18(36-16(4)28)14(2)12-17-8-6-5-7-9-17)10-11-24-19(29)20(30)26(38-24,23(33)34)25(35,22(31)32)21(37-24)15(3)27/h5-9,14,18-21,29-30,35H,1,10-12H2,2-4H3,(H,31,32)(H,33,34)/t14-,18-,19-,20-,21-,24+,25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against Squalene synthase from rats				J Med Chem 39: 1413-22 (1996) Article DOI: 10.1021/jm950893j BindingDB Entry DOI: 10.7270/Q2Z0377G
					More data for this Ligand-Target Pair