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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50331752'   
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))
BDBM50331752
PNG
(CHEMBL1290083 | methyl 3,5-bis(trifluoromethyl)ben...)
Show SMILES CCOc1ccc(C)cc1-c1ccc(cc1CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)OC)C(F)(F)F
Show InChI InChI=1S/C28H24F9NO3/c1-4-41-24-8-5-16(2)9-23(24)22-7-6-19(26(29,30)31)12-18(22)15-38(25(39)40-3)14-17-10-20(27(32,33)34)13-21(11-17)28(35,36)37/h5-13H,4,14-15H2,1-3H3
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MMDB

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Similars

Article
PubMed
n/an/a 4.49E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Corp.

Curated by ChEMBL


Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis


Bioorg Med Chem Lett 20: 7469-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.019
BindingDB Entry DOI: 10.7270/Q2FF3SMV
More data for this
Ligand-Target Pair