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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50033189'   
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)		BDBM50033189
PNG
((1S,3R,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)c1csc(C)n1)C(O)=O |TLB:31:29:18:20.22,23:22:18:27.29.30,THB:28:27:18:20.22,21:20:18:27.29.30,37:27:18:20.22|
Show InChI InChI=1S/C28H33NO10S/c1-14(20(16(3)30)15(2)12-18-8-6-5-7-9-18)10-11-26-21(31)22(32)28(39-26,25(35)36)27(37,24(33)34)23(38-26)19-13-40-17(4)29-19/h5-9,13,15,20-23,31-32,37H,1,10-12H2,2-4H3,(H,33,34)(H,35,36)/t15-,20-,21-,22-,23-,26+,27-,28+/m1/s1
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Similars
PubMed
n/an/a 2.88E+3n/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