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SMILES: CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(O)[C@H](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=PUPPABMYTYFJCM-ZMWJWDJJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50281068   
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)		BDBM50281068
PNG
((1S,3S,4S,5R,6R,7R)-1-((4R,5S)-3,4-Dihydroxy-5-met...)
Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(O)[C@H](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/C32H46O14/c1-5-17(2)15-18(3)11-12-22(34)44-25-24(36)30(14-13-21(33)23(35)19(4)16-20-9-7-6-8-10-20)45-26(27(37)38)31(43,28(39)40)32(25,46-30)29(41)42/h6-10,17-19,21,23-26,33,35-36,43H,5,11-16H2,1-4H3,(H,37,38)(H,39,40)(H,41,42)/t17-,18+,19-,21?,23+,24+,25+,26+,30-,31+,32-/m0/s1
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Article
n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition of Squalene synthase activity, measured using juvenile male rat liver microsomes

Bioorg Med Chem Lett 3: 2527-2532 (1993)


Article DOI: 10.1016/S0960-894X(01)80710-1
BindingDB Entry DOI: 10.7270/Q2HM58CM
More data for this
Ligand-Target Pair