BDBM50038151 (6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-6-dodecyloxycarbonyloxy-4,7-dihydroxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid::CHEMBL338582

SMILES: CCCCCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O

InChI Key: InChIKey=DGHGACAIEVJLID-VSRKZNQXSA-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 = 50038151   

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 (Rattus norvegicus)	BDBM50038151 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C38H54O15/c1-5-6-7-8-9-10-11-12-13-17-22-49-35(47)51-30-29(40)36(52-31(32(41)42)37(48,33(43)44)38(30,53-36)34(45)46)21-20-24(2)28(50-26(4)39)25(3)23-27-18-15-14-16-19-27/h14-16,18-19,25,28-31,40,48H,2,5-13,17,20-23H2,1,3-4H3,(H,41,42)(H,43,44)(H,45,46)/t25-,28-,29-,30-,31?,36?,37?,38?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair