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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50051869'   
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)		BDBM50051869
PNG
((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
Show SMILES COC[C@H]1O[C@@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]([C@H](O)[C@H]2O)(C(O)=O)[C@]1(O)C(O)=O
Show InChI InChI=1S/C26H34O12/c1-14(19(36-16(3)27)15(2)12-17-8-6-5-7-9-17)10-11-24-20(28)21(29)26(38-24,23(32)33)25(34,22(30)31)18(37-24)13-35-4/h5-9,15,18-21,28-29,34H,1,10-13H2,2-4H3,(H,30,31)(H,32,33)/t15-,18-,19-,20-,21-,24+,25-,26+/m1/s1
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Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Squalene synthase from rats

J Med Chem 39: 1413-22 (1996)


Article DOI: 10.1021/jm950893j
BindingDB Entry DOI: 10.7270/Q2Z0377G
More data for this
Ligand-Target Pair