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BDBM50128166 1,1,1-Trifluoro-3-{[3-(1,1,2,2-tetrafluoro-ethoxy)-benzyl]-[3-(5,6,7,8-tetrahydro-naphthalen-2-yloxy)-phenyl]-amino}-propan-2-ol::1,1,1-trifluoro-3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl)amino)propan-2-ol::3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl)amino)-1,1,1-trifluoropropan-2-ol::CHEMBL308423

SMILES: OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc3CCCCc3c2)c1)C(F)(F)F

InChI Key: InChIKey=PAYVDVGQXAVUIO-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50128166   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50128166
PNG
(1,1,1-Trifluoro-3-{[3-(1,1,2,2-tetrafluoro-ethoxy)...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc3CCCCc3c2)c1)C(F)(F)F
Show InChI InChI=1S/C28H26F7NO3/c29-26(30)28(34,35)39-24-10-3-5-18(13-24)16-36(17-25(37)27(31,32)33)21-8-4-9-22(15-21)38-23-12-11-19-6-1-2-7-20(19)14-23/h3-5,8-15,25-26,37H,1-2,6-7,16-17H2
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n/an/a 90n/an/an/an/an/an/a



Pharmacia Discovery Research (Pfizer Global Research and Development)

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against recombinant human cholesteryl ester transfer protein in buffer


J Med Chem 46: 2152-68 (2003)


Article DOI: 10.1021/jm020528+
BindingDB Entry DOI: 10.7270/Q2QV3KWK
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50128166
PNG
(1,1,1-Trifluoro-3-{[3-(1,1,2,2-tetrafluoro-ethoxy)...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc3CCCCc3c2)c1)C(F)(F)F
Show InChI InChI=1S/C28H26F7NO3/c29-26(30)28(34,35)39-24-10-3-5-18(13-24)16-36(17-25(37)27(31,32)33)21-8-4-9-22(15-21)38-23-12-11-19-6-1-2-7-20(19)14-23/h3-5,8-15,25-26,37H,1-2,6-7,16-17H2
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n/an/a 5.20E+3n/an/an/an/an/an/a



Pharmacia Discovery Research (Pfizer Global Research and Development)

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against recombinant human cholesteryl ester transfer protein in human serum


J Med Chem 46: 2152-68 (2003)


Article DOI: 10.1021/jm020528+
BindingDB Entry DOI: 10.7270/Q2QV3KWK
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50128166
PNG
(1,1,1-Trifluoro-3-{[3-(1,1,2,2-tetrafluoro-ethoxy)...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc3CCCCc3c2)c1)C(F)(F)F
Show InChI InChI=1S/C28H26F7NO3/c29-26(30)28(34,35)39-24-10-3-5-18(13-24)16-36(17-25(37)27(31,32)33)21-8-4-9-22(15-21)38-23-12-11-19-6-1-2-7-20(19)14-23/h3-5,8-15,25-26,37H,1-2,6-7,16-17H2
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n/an/a 9.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CETP (unknown origin)-mediated [3H]cholesteryl ester transfer from HDL donor particles to LDL acceptor particles


Citation and Details

Article DOI: 10.1007/s00044-004-0104-9
BindingDB Entry DOI: 10.7270/Q2SQ9387
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128166
PNG
(1,1,1-Trifluoro-3-{[3-(1,1,2,2-tetrafluoro-ethoxy)...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc3CCCCc3c2)c1)C(F)(F)F
Show InChI InChI=1S/C28H26F7NO3/c29-26(30)28(34,35)39-24-10-3-5-18(13-24)16-36(17-25(37)27(31,32)33)21-8-4-9-22(15-21)38-23-12-11-19-6-1-2-7-20(19)14-23/h3-5,8-15,25-26,37H,1-2,6-7,16-17H2
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n/an/a 90n/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))
BDBM50128166
PNG
(1,1,1-Trifluoro-3-{[3-(1,1,2,2-tetrafluoro-ethoxy)...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc3CCCCc3c2)c1)C(F)(F)F
Show InChI InChI=1S/C28H26F7NO3/c29-26(30)28(34,35)39-24-10-3-5-18(13-24)16-36(17-25(37)27(31,32)33)21-8-4-9-22(15-21)38-23-12-11-19-6-1-2-7-20(19)14-23/h3-5,8-15,25-26,37H,1-2,6-7,16-17H2
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n/an/a 90n/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