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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50051867'   
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)		BDBM50051867
PNG
((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
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](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](COC)O2)C(O)=O
Show InChI InChI=1S/C36H50O13/c1-8-21(2)18-22(3)14-15-28(38)47-31-30(39)34(48-27(20-45-7)35(44,32(40)41)36(31,49-34)33(42)43)17-16-23(4)29(46-25(6)37)24(5)19-26-12-10-9-11-13-26/h9-15,21-22,24,27,29-31,39,44H,4,8,16-20H2,1-3,5-7H3,(H,40,41)(H,42,43)/b15-14+/t21-,22+,24+,27+,29+,30+,31+,34-,35+,36-/m0/s1
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Similars
Article
PubMed
n/an/a 13n/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