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BDBM50128157 1,1,1-Trifluoro-3-{[3-(1,1,2,2-tetrafluoro-ethoxy)-benzyl]-[3-(4-trifluoromethoxy-benzyloxy)-phenyl]-amino}-propan-2-ol::1,1,1-trifluoro-3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-(trifluoromethoxy)benzyloxy)phenyl)amino)propan-2-ol::CHEMBL302787

SMILES: OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1)C(F)(F)F

InChI Key: InChIKey=ZLCHFOOBFJVODQ-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50128157   
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))
BDBM50128157
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(OCc2ccc(OC(F)(F)F)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C26H21F10NO4/c27-23(28)25(32,33)40-21-6-1-3-17(11-21)13-37(14-22(38)24(29,30)31)18-4-2-5-20(12-18)39-15-16-7-9-19(10-8-16)41-26(34,35)36/h1-12,22-23,38H,13-15H2
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PC sid
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Article
PubMed
n/an/a 300n/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)
BDBM50128157
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(OCc2ccc(OC(F)(F)F)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C26H21F10NO4/c27-23(28)25(32,33)40-21-6-1-3-17(11-21)13-37(14-22(38)24(29,30)31)18-4-2-5-20(12-18)39-15-16-7-9-19(10-8-16)41-26(34,35)36/h1-12,22-23,38H,13-15H2
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PC sid
UniChem

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Article
PubMed
n/an/a 300n/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))
BDBM50128157
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(OCc2ccc(OC(F)(F)F)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C26H21F10NO4/c27-23(28)25(32,33)40-21-6-1-3-17(11-21)13-37(14-22(38)24(29,30)31)18-4-2-5-20(12-18)39-15-16-7-9-19(10-8-16)41-26(34,35)36/h1-12,22-23,38H,13-15H2
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 3.94E+4n/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