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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50033181   
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)		BDBM50033181
PNG
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...)
Show SMILES C[C@H](Cc1ccccc1)[C@H](C(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:23:22:18:27.29.30,31:29:18:20.22,THB:21:20:18:27.29.30,34:27:18:20.22,28:27:18:20.22|
Show InChI InChI=1S/C25H30O12/c1-12(16(14(3)26)13(2)11-15-7-5-4-6-8-15)9-10-23-17(27)18(28)25(37-23,22(33)34)24(35,21(31)32)19(36-23)20(29)30/h4-8,13,16-19,27-28,35H,1,9-11H2,2-3H3,(H,29,30)(H,31,32)(H,33,34)/t13-,16-,17-,18-,19-,23+,24-,25+/m1/s1
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PubMed
n/an/a 26n/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against Squalene synthase in rat

J Med Chem 38: 3502-13 (1995)


BindingDB Entry DOI: 10.7270/Q2M61J99
More data for this
Ligand-Target Pair