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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 = 'BDBM50383578'   
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))		BDBM50383578
PNG
(CHEMBL2029484)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CCN)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C28H30F9N7O2/c1-4-20-13-23(21-12-17(26(29,30)31)5-6-22(21)44(20)25(45)46-15(2)3)42(24-39-41-43(40-24)8-7-38)14-16-9-18(27(32,33)34)11-19(10-16)28(35,36)37/h5-6,9-12,15,20,23H,4,7-8,13-14,38H2,1-3H3/t20-,23+/m1/s1
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Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry

Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair