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BDBM50281073 Squalestatin analog::[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl phosphonato]formate

SMILES: [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#8]P([#8-])(=O)[#6](-[#8-])=O

InChI Key: InChIKey=WRFUTYXFOCGGSP-NCZFFCEISA-L

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50281073   
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 synthetase


(Rattus norvegicus)		BDBM50281073
PNG
(Squalestatin analog | [(3E,7E)-4,8,12-trimethyltri...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#8]P([#8-])(=O)[#6](-[#8-])=O
Show InChI InChI=1S/C17H29O5P/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-22-23(20,21)17(18)19/h8,10,12H,5-7,9,11,13H2,1-4H3,(H,18,19)(H,20,21)/p-2/b15-10+,16-12+
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Article
n/an/a 8.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme

Bioorg Med Chem Lett 3: 2541-2546 (1993)


Article DOI: 10.1016/S0960-894X(01)80713-7
BindingDB Entry DOI: 10.7270/Q26Q1XQP
More data for this
Ligand-Target Pair