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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 = 'BDBM50447533'   
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))
BDBM50447533
PNG
(CHEMBL3116155)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccc(F)cc2[nH]1)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C28H19ClF6N4O/c29-18-6-9-24(36-15-18)27(14-16-4-2-1-3-5-16,39-26-37-22-8-7-19(30)13-23(22)38-26)17-10-20(31)12-21(11-17)40-28(34,35)25(32)33/h1-13,15,25H,14H2,(H2,37,38,39)/t27-/m1/s1
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PC cid
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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP using [3H]-CE/HDL by scintillation proximity assay


Bioorg Med Chem Lett 24: 860-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.088
BindingDB Entry DOI: 10.7270/Q2WM1FW9
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50447533
PNG
(CHEMBL3116155)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccc(F)cc2[nH]1)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C28H19ClF6N4O/c29-18-6-9-24(36-15-18)27(14-16-4-2-1-3-5-16,39-26-37-22-8-7-19(30)13-23(22)38-26)17-10-20(31)12-21(11-17)40-28(34,35)25(32)33/h1-13,15,25H,14H2,(H2,37,38,39)/t27-/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 9.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma using [3H]-CE/HDL after 10 mins


Bioorg Med Chem Lett 24: 860-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.088
BindingDB Entry DOI: 10.7270/Q2WM1FW9
More data for this
Ligand-Target Pair