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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 = 'BDBM50392504'   
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))
BDBM50392504
PNG
(CHEMBL2152158)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCC(F)(F)C1)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H22ClF6N3O/c27-19-6-7-22(34-15-19)25(13-16-4-2-1-3-5-16,17-10-18(26(31,32)33)12-20(28)11-17)36-23(37)35-21-8-9-24(29,30)14-21/h1-7,10-12,15,21H,8-9,13-14H2,(H2,35,36,37)/t21?,25-/m0/s1
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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 6503-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.011
BindingDB Entry DOI: 10.7270/Q2XP761G
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50392504
PNG
(CHEMBL2152158)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCC(F)(F)C1)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H22ClF6N3O/c27-19-6-7-22(34-15-19)25(13-16-4-2-1-3-5-16,17-10-18(26(31,32)33)12-20(28)11-17)36-23(37)35-21-8-9-24(29,30)14-21/h1-7,10-12,15,21H,8-9,13-14H2,(H2,35,36,37)/t21?,25-/m0/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 670n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma using [3H]cholesterol ester/HDL as substrate after 10 mins by scintillation counting


Bioorg Med Chem Lett 22: 6503-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.011
BindingDB Entry DOI: 10.7270/Q2XP761G
More data for this
Ligand-Target Pair