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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50312732   
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
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50312732
PNG
((S)-(4'-cyclohexyl-2'-cyclopentyl-5'-hydroxy-6',8'...)
Show SMILES O[C@H]1CC2(CCC2)Cc2nc(C3CCCC3)c(C(=O)c3ccc(cc3)C(F)(F)F)c(C3CCCCC3)c12 |r|
Show InChI InChI=1S/C31H36F3NO2/c32-31(33,34)22-13-11-21(12-14-22)29(37)27-25(19-7-2-1-3-8-19)26-23(35-28(27)20-9-4-5-10-20)17-30(15-6-16-30)18-24(26)36/h11-14,19-20,24,36H,1-10,15-18H2/t24-/m0/s1
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Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of CETP assessed as cholesterol ester transfer after 4 hrs by microemulsion based fluorescence assay


Bioorg Med Chem Lett 20: 1740-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.071
BindingDB Entry DOI: 10.7270/Q28S4Q1P
More data for this
Ligand-Target Pair