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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50281120'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Squalene synthase


(Rattus norvegicus)		BDBM50281120
PNG
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
Show SMILES CCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O
Show InChI InChI=1S/C35H48O14/c1-5-6-7-8-9-10-14-17-25(37)47-28-27(38)35(32(43)44)34(45,31(41)42)29(30(39)40)48-33(28,49-35)19-18-21(2)26(46-23(4)36)22(3)20-24-15-12-11-13-16-24/h11-13,15-16,22,26-29,38,45H,2,5-10,14,17-20H2,1,3-4H3,(H,39,40)(H,41,42)(H,43,44)/t22-,26-,27-,28-,29-,33+,34-,35+/m1/s1
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Similars
Article
n/an/a 303n/an/an/an/an/an/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