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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50100997'   
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))
BDBM50100997
PNG
(1,1,1-Trifluoro-3-[(3-furan-2-yl-benzyl)-(3-phenox...)
Show SMILES OC(CN(Cc1cccc(c1)-c1ccco1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO3/c27-26(28,29)25(31)18-30(17-19-7-4-8-20(15-19)24-13-6-14-32-24)21-9-5-12-23(16-21)33-22-10-2-1-3-11-22/h1-16,25,31H,17-18H2
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n/an/a 480n/an/an/an/an/an/a



Universidade Federal da Bahia

Curated by ChEMBL


Assay Description
Inhibition of CETP


Bioorg Med Chem 15: 6242-52 (2007)


Article DOI: 10.1016/j.bmc.2007.06.021
BindingDB Entry DOI: 10.7270/Q2B857VG
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50100997
PNG
(1,1,1-Trifluoro-3-[(3-furan-2-yl-benzyl)-(3-phenox...)
Show SMILES OC(CN(Cc1cccc(c1)-c1ccco1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO3/c27-26(28,29)25(31)18-30(17-19-7-4-8-20(15-19)24-13-6-14-32-24)21-9-5-12-23(16-21)33-22-10-2-1-3-11-22/h1-16,25,31H,17-18H2
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n/an/a 480n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CETP mediated transfer of [3H]-cholesteryl ester from HDL to LDL


Bioorg Med Chem Lett 11: 1625-8 (2001)


BindingDB Entry DOI: 10.7270/Q2W09579
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50100997
PNG
(1,1,1-Trifluoro-3-[(3-furan-2-yl-benzyl)-(3-phenox...)
Show SMILES OC(CN(Cc1cccc(c1)-c1ccco1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO3/c27-26(28,29)25(31)18-30(17-19-7-4-8-20(15-19)24-13-6-14-32-24)21-9-5-12-23(16-21)33-22-10-2-1-3-11-22/h1-16,25,31H,17-18H2
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n/an/a 480n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50100997
PNG
(1,1,1-Trifluoro-3-[(3-furan-2-yl-benzyl)-(3-phenox...)
Show SMILES OC(CN(Cc1cccc(c1)-c1ccco1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO3/c27-26(28,29)25(31)18-30(17-19-7-4-8-20(15-19)24-13-6-14-32-24)21-9-5-12-23(16-21)33-22-10-2-1-3-11-22/h1-16,25,31H,17-18H2
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n/an/a 480n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CETP in buffer assessed as transfer of [3H]-cholesteryl ester from HDL donor particles to LDL acceptor particles


J Med Chem 58: 8315-59 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00258
BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50100997
PNG
(1,1,1-Trifluoro-3-[(3-furan-2-yl-benzyl)-(3-phenox...)
Show SMILES OC(CN(Cc1cccc(c1)-c1ccco1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO3/c27-26(28,29)25(31)18-30(17-19-7-4-8-20(15-19)24-13-6-14-32-24)21-9-5-12-23(16-21)33-22-10-2-1-3-11-22/h1-16,25,31H,17-18H2
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n/an/a 5.20E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CETP mediated transfer of [3H]-cholesteryl ester from HDL to LDL


Bioorg Med Chem Lett 11: 1625-8 (2001)


BindingDB Entry DOI: 10.7270/Q2W09579
More data for this
Ligand-Target Pair