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BDBM50128153 3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(2,3-difluorophenoxy)phenyl)amino)-1,1,1-trifluoropropan-2-ol::3-((3-(2,3-difluorophenoxy)phenyl)(3-(1,1,2,2-tetrafluoroethoxy)benzyl)amino)-1,1,1-trifluoropropan-2-ol::3-{[3-(2,3-Difluoro-phenoxy)-phenyl]-[3-(1,1,2,2-tetrafluoro-ethoxy)-benzyl]-amino}-1,1,1-trifluoro-propan-2-ol::CHEMBL302786

SMILES: OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(F)c2F)c1)C(F)(F)F

InChI Key: InChIKey=KXSXYCSOMCYPSO-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50128153   
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))
BDBM50128153
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(2,3-di...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(F)c2F)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F9NO3/c25-18-8-3-9-19(21(18)26)36-16-6-2-5-15(11-16)34(13-20(35)23(29,30)31)12-14-4-1-7-17(10-14)37-24(32,33)22(27)28/h1-11,20,22,35H,12-13H2
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Article
PubMed
n/an/a 100n/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


(Oryctolagus cuniculus)
BDBM50128153
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(2,3-di...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(F)c2F)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F9NO3/c25-18-8-3-9-19(21(18)26)36-16-6-2-5-15(11-16)34(13-20(35)23(29,30)31)12-14-4-1-7-17(10-14)37-24(32,33)22(27)28/h1-11,20,22,35H,12-13H2
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n/an/a 100n/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))
BDBM50128153
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(2,3-di...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(F)c2F)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F9NO3/c25-18-8-3-9-19(21(18)26)36-16-6-2-5-15(11-16)34(13-20(35)23(29,30)31)12-14-4-1-7-17(10-14)37-24(32,33)22(27)28/h1-11,20,22,35H,12-13H2
PDB
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Reactome pathway
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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 100n/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