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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 = 'BDBM50447546'   
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))
BDBM50447546
PNG
(CHEMBL3116346)
Show SMILES Cc1nc(N[C@](Cc2ccccc2)(c2cc(F)cc(c2)C(F)(F)F)c2ccc(Cl)cn2)sc1C |r|
Show InChI InChI=1S/C25H20ClF4N3S/c1-15-16(2)34-23(32-15)33-24(13-17-6-4-3-5-7-17,22-9-8-20(26)14-31-22)18-10-19(25(28,29)30)12-21(27)11-18/h3-12,14H,13H2,1-2H3,(H,32,33)/t24-/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 40n/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))
BDBM50447546
PNG
(CHEMBL3116346)
Show SMILES Cc1nc(N[C@](Cc2ccccc2)(c2cc(F)cc(c2)C(F)(F)F)c2ccc(Cl)cn2)sc1C |r|
Show InChI InChI=1S/C25H20ClF4N3S/c1-15-16(2)34-23(32-15)33-24(13-17-6-4-3-5-7-17,22-9-8-20(26)14-31-22)18-10-19(25(28,29)30)12-21(27)11-18/h3-12,14H,13H2,1-2H3,(H,32,33)/t24-/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 1.73E+4n/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