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BDBM50094518 1,1,1-Trifluoro-3-[(3-fluoro-phenyl)-(3-trifluoromethyl-benzyl)-amino]-propan-2-ol::1,1,1-trifluoro-3-((3-fluorophenyl)(3-(trifluoromethyl)benzyl)amino)propan-2-ol::3-((3-(trifluoromethyl)benzyl)(3-fluorophenyl)amino)-1,1,1-trifluoropropan-2-ol::CHEMBL125473

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

InChI Key: InChIKey=PJKBFQQTQSEBNP-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50094518   
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))
BDBM50094518
PNG
(1,1,1-Trifluoro-3-[(3-fluoro-phenyl)-(3-trifluorom...)
Show SMILES OC(CN(Cc1cccc(c1)C(F)(F)F)c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H14F7NO/c18-13-5-2-6-14(8-13)25(10-15(26)17(22,23)24)9-11-3-1-4-12(7-11)16(19,20)21/h1-8,15,26H,9-10H2
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n/an/a>2.00E+5n/an/an/an/an/an/a



Pharmacia Discovery Research

Curated by ChEMBL


Assay Description
Tested for inhibiting CETP-mediated transfer of [3H]-CE from HDL to LDL in vitro under buffered assay conditions in human serum.


J Med Chem 43: 4575-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X0669S
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50094518
PNG
(1,1,1-Trifluoro-3-[(3-fluoro-phenyl)-(3-trifluorom...)
Show SMILES OC(CN(Cc1cccc(c1)C(F)(F)F)c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H14F7NO/c18-13-5-2-6-14(8-13)25(10-15(26)17(22,23)24)9-11-3-1-4-12(7-11)16(19,20)21/h1-8,15,26H,9-10H2
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n/an/a 4.00E+4n/an/an/an/an/an/a



Pharmacia Discovery Research

Curated by ChEMBL


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


J Med Chem 43: 4575-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X0669S
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50094518
PNG
(1,1,1-Trifluoro-3-[(3-fluoro-phenyl)-(3-trifluorom...)
Show SMILES OC(CN(Cc1cccc(c1)C(F)(F)F)c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H14F7NO/c18-13-5-2-6-14(8-13)25(10-15(26)17(22,23)24)9-11-3-1-4-12(7-11)16(19,20)21/h1-8,15,26H,9-10H2
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n/an/a>2.00E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition against Cholesteryl ester transfer protein in presence of human serum


J Med Chem 45: 3891-904 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D7P
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50094518
PNG
(1,1,1-Trifluoro-3-[(3-fluoro-phenyl)-(3-trifluorom...)
Show SMILES OC(CN(Cc1cccc(c1)C(F)(F)F)c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H14F7NO/c18-13-5-2-6-14(8-13)25(10-15(26)17(22,23)24)9-11-3-1-4-12(7-11)16(19,20)21/h1-8,15,26H,9-10H2
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Article
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n/an/a 4.00E+4n/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))
BDBM50094518
PNG
(1,1,1-Trifluoro-3-[(3-fluoro-phenyl)-(3-trifluorom...)
Show SMILES OC(CN(Cc1cccc(c1)C(F)(F)F)c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H14F7NO/c18-13-5-2-6-14(8-13)25(10-15(26)17(22,23)24)9-11-3-1-4-12(7-11)16(19,20)21/h1-8,15,26H,9-10H2
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n/an/a 3.70E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of cholesteryl ester transfer protein in presence of buffer.


J Med Chem 45: 3891-904 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D7P
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50094518
PNG
(1,1,1-Trifluoro-3-[(3-fluoro-phenyl)-(3-trifluorom...)
Show SMILES OC(CN(Cc1cccc(c1)C(F)(F)F)c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H14F7NO/c18-13-5-2-6-14(8-13)25(10-15(26)17(22,23)24)9-11-3-1-4-12(7-11)16(19,20)21/h1-8,15,26H,9-10H2
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n/an/a 4.00E+4n/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))
BDBM50094518
PNG
(1,1,1-Trifluoro-3-[(3-fluoro-phenyl)-(3-trifluorom...)
Show SMILES OC(CN(Cc1cccc(c1)C(F)(F)F)c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H14F7NO/c18-13-5-2-6-14(8-13)25(10-15(26)17(22,23)24)9-11-3-1-4-12(7-11)16(19,20)21/h1-8,15,26H,9-10H2
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n/an/a 4.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of cholesteryl ester transfer protein in presence of buffer.


J Med Chem 45: 3891-904 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D7P
More data for this
Ligand-Target Pair