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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50339911'   
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


(Homo sapiens (Human))		BDBM50339911
PNG
(CHEMBL1761652 | trans-rac-2-(1-benzyl-7-chloro-5-(...)
Show SMILES OC(=O)CN1C[C@H](c2ccccc2Cl)c2cc(Cl)ccc2[C@@H](Cc2ccccc2)C1=O |r|
Show InChI InChI=1S/C25H21Cl2NO3/c26-17-10-11-18-20(13-17)22(19-8-4-5-9-23(19)27)14-28(15-24(29)30)25(31)21(18)12-16-6-2-1-3-7-16/h1-11,13,21-22H,12,14-15H2,(H,29,30)/t21-,22-/m1/s1
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Similars
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase assessed as conversion of [3H]farnesyl phosphate to [3H]squalene after 10 mins by scintillation counting

Bioorg Med Chem Lett 21: 2554-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.004
BindingDB Entry DOI: 10.7270/Q22Z15VJ
More data for this
Ligand-Target Pair