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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50178697'   
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))
BDBM50178697
PNG
(CHEMBL3813777)
Show SMILES O[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H19ClF8N2O2/c25-16-6-7-19(34-12-16)22(11-14-4-2-1-3-5-14,35-13-20(36)23(29,30)31)15-8-17(26)10-18(9-15)37-24(32,33)21(27)28/h1-10,12,20-21,35-36H,11,13H2/t20-,22+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178697
PNG
(CHEMBL3813777)
Show SMILES O[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H19ClF8N2O2/c25-16-6-7-19(34-12-16)22(11-14-4-2-1-3-5-14,35-13-20(36)23(29,30)31)15-8-17(26)10-18(9-15)37-24(32,33)21(27)28/h1-10,12,20-21,35-36H,11,13H2/t20-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair