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BDBM50128173 3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-chloro-3-methylphenoxy)phenyl)amino)-1,1,1-trifluoropropan-2-ol::3-((3-(4-chloro-3-methylphenoxy)phenyl)(3-(1,1,2,2-tetrafluoroethoxy)benzyl)amino)-1,1,1-trifluoropropan-2-ol::3-{[3-(4-Chloro-3-methyl-phenoxy)-phenyl]-[3-(1,1,2,2-tetrafluoro-ethoxy)-benzyl]-amino}-1,1,1-trifluoro-propan-2-ol::CHEMBL303937

SMILES: Cc1cc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)ccc1Cl

InChI Key: InChIKey=BRLJUNDZVYTTDM-UHFFFAOYSA-N

Data: 4 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50128173   
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))
BDBM50128173
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-chlo...)
Show SMILES Cc1cc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)ccc1Cl
Show InChI InChI=1S/C25H21ClF7NO3/c1-15-10-19(8-9-21(15)26)36-18-6-3-5-17(12-18)34(14-22(35)24(29,30)31)13-16-4-2-7-20(11-16)37-25(32,33)23(27)28/h2-12,22-23,35H,13-14H2,1H3
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n/an/a 200n/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))
BDBM50128173
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-chlo...)
Show SMILES Cc1cc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)ccc1Cl
Show InChI InChI=1S/C25H21ClF7NO3/c1-15-10-19(8-9-21(15)26)36-18-6-3-5-17(12-18)34(14-22(35)24(29,30)31)13-16-4-2-7-20(11-16)37-25(32,33)23(27)28/h2-12,22-23,35H,13-14H2,1H3
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n/an/a 2.00E+5n/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)
BDBM50128173
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-chlo...)
Show SMILES Cc1cc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)ccc1Cl
Show InChI InChI=1S/C25H21ClF7NO3/c1-15-10-19(8-9-21(15)26)36-18-6-3-5-17(12-18)34(14-22(35)24(29,30)31)13-16-4-2-7-20(11-16)37-25(32,33)23(27)28/h2-12,22-23,35H,13-14H2,1H3
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n/an/a 200n/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))
BDBM50128173
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-chlo...)
Show SMILES Cc1cc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)ccc1Cl
Show InChI InChI=1S/C25H21ClF7NO3/c1-15-10-19(8-9-21(15)26)36-18-6-3-5-17(12-18)34(14-22(35)24(29,30)31)13-16-4-2-7-20(11-16)37-25(32,33)23(27)28/h2-12,22-23,35H,13-14H2,1H3
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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