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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 = 'BDBM50392528'   
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))
BDBM50392528
PNG
(CHEMBL2152181)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NCC(F)(F)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C25H18ClF10N3O2/c26-16-6-7-19(37-12-16)22(11-14-4-2-1-3-5-14,39-21(40)38-13-23(30,31)25(34,35)36)15-8-17(27)10-18(9-15)41-24(32,33)20(28)29/h1-10,12,20H,11,13H2,(H2,38,39,40)/t22-/m0/s1
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PC sid
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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)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50392528
PNG
(CHEMBL2152181)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NCC(F)(F)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C25H18ClF10N3O2/c26-16-6-7-19(37-12-16)22(11-14-4-2-1-3-5-14,39-21(40)38-13-23(30,31)25(34,35)36)15-8-17(27)10-18(9-15)41-24(32,33)20(28)29/h1-10,12,20H,11,13H2,(H2,38,39,40)/t22-/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 220n/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)

More data for this
Ligand-Target Pair