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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 = 'BDBM50447535'   
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))
BDBM50447535
PNG
(CHEMBL3116357)
Show SMILES Fc1cc(cc(c1)C(Cc1ccccc1)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C27H19ClF4N4/c28-20-10-11-24(33-16-20)26(15-17-6-2-1-3-7-17,18-12-19(27(30,31)32)14-21(29)13-18)36-25-34-22-8-4-5-9-23(22)35-25/h1-14,16H,15H2,(H2,34,35,36)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/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))
BDBM50447535
PNG
(CHEMBL3116357)
Show SMILES Fc1cc(cc(c1)C(Cc1ccccc1)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C27H19ClF4N4/c28-20-10-11-24(33-16-20)26(15-17-6-2-1-3-7-17,18-12-19(27(30,31)32)14-21(29)13-18)36-25-34-22-8-4-5-9-23(22)35-25/h1-14,16H,15H2,(H2,34,35,36)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.96E+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