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Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50051871'   
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)
BDBM50051871
PNG
((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6]-[#6@H](-[#6])\[#6]=[#6]\[#6](=O)-[#8]-[#6@@H]1-[#6@@H](-[#8])[C@]2([#6]-[#6]-[#6](=[#6])-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#6])-[#6]-c3ccccc3)[#8][C@@]1([#6](-[#8])=O)[C@@]([#8])([#6@@H](-[#6]\[#7]=[#6](/[#7])-[#7])-[#8]2)[#6](-[#8])=O
Show InChI InChI=1S/C36H51N3O12/c1-7-20(2)17-21(3)13-14-27(41)49-30-29(42)34(16-15-22(4)28(48-24(6)40)23(5)18-25-11-9-8-10-12-25)50-26(19-39-33(37)38)35(47,31(43)44)36(30,51-34)32(45)46/h8-14,20-21,23,26,28-30,42,47H,4,7,15-19H2,1-3,5-6H3,(H,43,44)(H,45,46)(H4,37,38,39)/b14-13+/t20-,21+,23+,26+,28+,29+,30+,34-,35+,36-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 65n/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