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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 = 'BDBM50381411'   
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))
BDBM50381411
PNG
(CHEMBL2017185)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)=O)c2nc(C)ccc2N1C(=O)OC(C)C |r|
Show InChI InChI=1S/C26H29F6N3O3/c1-6-20-12-22(23-21(8-7-15(4)33-23)35(20)24(37)38-14(2)3)34(16(5)36)13-17-9-18(25(27,28)29)11-19(10-17)26(30,31)32/h7-11,14,20,22H,6,12-13H2,1-5H3/t20-,22+/m1/s1
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Similars

Article
PubMed
n/an/a 980n/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