BDBM50281106 (1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-4,7-dihydroxy-6-nonyloxycarbonyloxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid::CHEMBL88601

SMILES: CCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O

InChI Key: InChIKey=NSIRWOKEFASLAP-SNSJSOOVSA-N

Data: 2 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 2 hits for monomerid = 50281106   

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 (Homo sapiens (Human))	BDBM50281106 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H48O15/c1-5-6-7-8-9-10-14-19-46-32(44)48-27-26(37)33(49-28(29(38)39)34(45,30(40)41)35(27,50-33)31(42)43)18-17-21(2)25(47-23(4)36)22(3)20-24-15-12-11-13-16-24/h11-13,15-16,22,25-28,37,45H,2,5-10,14,17-20H2,1,3-4H3,(H,38,39)(H,40,41)(H,42,43)/t22-,25-,26-,27-,28-,33+,34-,35+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia 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 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 synthetase (Rattus norvegicus)	BDBM50281106 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H48O15/c1-5-6-7-8-9-10-14-19-46-32(44)48-27-26(37)33(49-28(29(38)39)34(45,30(40)41)35(27,50-33)31(42)43)18-17-21(2)25(47-23(4)36)22(3)20-24-15-12-11-13-16-24/h11-13,15-16,22,25-28,37,45H,2,5-10,14,17-20H2,1,3-4H3,(H,38,39)(H,40,41)(H,42,43)/t22-,25-,26-,27-,28-,33+,34-,35+/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	7	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