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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 = 'BDBM50381438'   
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))
BDBM50381438
PNG
(CHEMBL2017385)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(N)c(C)cc2N1C(=O)OC(C)C |r|
Show InChI InChI=1S/C26H30F6N8O2/c1-6-18-11-19(21-20(7-14(4)22(33)34-21)40(18)24(41)42-13(2)3)39(23-35-37-38(5)36-23)12-15-8-16(25(27,28)29)10-17(9-15)26(30,31)32/h7-10,13,18-19H,6,11-12H2,1-5H3,(H2,33,34)/t18-,19+/m1/s1
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Similars

Article
PubMed
n/an/a 106n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair