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SMILES: CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1cscn1)C(O)=O

InChI Key: InChIKey=STTBFTNNVHDINY-LFFOYWGTSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50033190   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Squalene synthase


(Rattus norvegicus)		BDBM50033190
PNG
((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...)
Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1cscn1)C(O)=O |TLB:39:38:33:12.13,47:38:33:12.13,14:13:33:38.40.41,THB:42:40:33:12.13,11:12:33:38.40.41|
Show InChI InChI=1S/C37H47NO11S/c1-7-21(2)17-22(3)13-14-28(40)47-32-30(41)35(16-15-23(4)29(25(6)39)24(5)18-26-11-9-8-10-12-26)48-31(27-19-50-20-38-27)36(46,33(42)43)37(32,49-35)34(44)45/h8-14,19-22,24,29-32,41,46H,4,7,15-18H2,1-3,5-6H3,(H,42,43)(H,44,45)/b14-13+/t21-,22+,24+,29+,30+,31+,32+,35-,36+,37-/m0/s1
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Similars
PubMed
n/an/a 92n/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against Squalene synthase in rat

J Med Chem 38: 3502-13 (1995)


BindingDB Entry DOI: 10.7270/Q2M61J99
More data for this
Ligand-Target Pair