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PubMed code 11101348

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50094519
PNG
((R)-1,1,1-Trifluoro-3-{(3-phenoxy-phenyl)-[3-(1,1,...)
Show SMILES O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C24H20F7NO3/c25-22(26)24(30,31)35-20-11-4-6-16(12-20)14-32(15-21(33)23(27,28)29)17-7-5-10-19(13-17)34-18-8-2-1-3-9-18/h1-13,21-22,33H,14-15H2/t21-/m1/s1
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n/an/a 20n/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))		BDBM50094513
PNG
(1,1,1-Trifluoro-3-{(3-phenoxy-phenyl)-[3-(1,1,2,2-...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C24H20F7NO3/c25-22(26)24(30,31)35-20-11-4-6-16(12-20)14-32(15-21(33)23(27,28)29)17-7-5-10-19(13-17)34-18-8-2-1-3-9-18/h1-13,21-22,33H,14-15H2
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n/an/a 200n/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))		BDBM50094519
PNG
((R)-1,1,1-Trifluoro-3-{(3-phenoxy-phenyl)-[3-(1,1,...)
Show SMILES O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C24H20F7NO3/c25-22(26)24(30,31)35-20-11-4-6-16(12-20)14-32(15-21(33)23(27,28)29)17-7-5-10-19(13-17)34-18-8-2-1-3-9-18/h1-13,21-22,33H,14-15H2/t21-/m1/s1
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n/an/a 600n/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))		BDBM50094515
PNG
((S)-1,1,1-trifluoro-3-((3-phenoxyphenyl)(3-(1,1,2,...)
Show SMILES O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C24H20F7NO3/c25-22(26)24(30,31)35-20-11-4-6-16(12-20)14-32(15-21(33)23(27,28)29)17-7-5-10-19(13-17)34-18-8-2-1-3-9-18/h1-13,21-22,33H,14-15H2/t21-/m0/s1
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n/an/a 800n/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))		BDBM50094514
PNG
(1,1,1-Trifluoro-3-[(3-phenoxy-phenyl)-(3-trifluoro...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C23H19F6NO3/c24-22(25,26)21(31)15-30(14-16-6-4-11-20(12-16)33-23(27,28)29)17-7-5-10-19(13-17)32-18-8-2-1-3-9-18/h1-13,21,31H,14-15H2
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n/an/a 1.00E+3n/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))		BDBM50094525
PNG
(1,1,1-Trifluoro-3-[(3-phenoxy-phenyl)-(4-trifluoro...)
Show SMILES OC(CN(Cc1ccc(OC(F)(F)F)cc1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C23H19F6NO3/c24-22(25,26)21(31)15-30(14-16-9-11-19(12-10-16)33-23(27,28)29)17-5-4-8-20(13-17)32-18-6-2-1-3-7-18/h1-13,21,31H,14-15H2
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n/an/a 4.00E+3n/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))		BDBM50094524
PNG
((R)-1,1,1-trifluoro-3-((3-(trifluoromethylthio)ben...)
Show SMILES COc1cc(cc(OC)c1OC)N(C[C@@H](O)C(F)(F)F)Cc1cccc(SC(F)(F)F)c1
Show InChI InChI=1S/C20H21F6NO4S/c1-29-15-8-13(9-16(30-2)18(15)31-3)27(11-17(28)19(21,22)23)10-12-5-4-6-14(7-12)32-20(24,25)26/h4-9,17,28H,10-11H2,1-3H3/t17-/m1/s1
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n/an/a 5.00E+3n/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))		BDBM50094513
PNG
(1,1,1-Trifluoro-3-{(3-phenoxy-phenyl)-[3-(1,1,2,2-...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C24H20F7NO3/c25-22(26)24(30,31)35-20-11-4-6-16(12-20)14-32(15-21(33)23(27,28)29)17-7-5-10-19(13-17)34-18-8-2-1-3-9-18/h1-13,21-22,33H,14-15H2
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n/an/a 6.00E+3n/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))		BDBM50094516
PNG
(1,1,1-Trifluoro-3-[(3-fluoro-phenyl)-(3-trifluorom...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H14F7NO2/c18-12-4-2-5-13(8-12)25(10-15(26)16(19,20)21)9-11-3-1-6-14(7-11)27-17(22,23)24/h1-8,15,26H,9-10H2
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n/an/a 1.20E+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))		BDBM50094521
PNG
(1,1,1-Trifluoro-3-[phenyl-(3-trifluoromethyl-benzy...)
Show SMILES OC(CN(Cc1cccc(c1)C(F)(F)F)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H15F6NO/c18-16(19,20)13-6-4-5-12(9-13)10-24(11-15(25)17(21,22)23)14-7-2-1-3-8-14/h1-9,15,25H,10-11H2
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n/an/a 1.50E+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))		BDBM50094520
PNG
(1,1,1-Trifluoro-3-[(3-fluoro-phenyl)-(4-trifluorom...)
Show SMILES OC(CN(Cc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H14F7NO2/c18-12-2-1-3-13(8-12)25(10-15(26)16(19,20)21)9-11-4-6-14(7-5-11)27-17(22,23)24/h1-8,15,26H,9-10H2
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n/an/a 1.50E+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))		BDBM50094515
PNG
((S)-1,1,1-trifluoro-3-((3-phenoxyphenyl)(3-(1,1,2,...)
Show SMILES O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C24H20F7NO3/c25-22(26)24(30,31)35-20-11-4-6-16(12-20)14-32(15-21(33)23(27,28)29)17-7-5-10-19(13-17)34-18-8-2-1-3-9-18/h1-13,21-22,33H,14-15H2/t21-/m0/s1
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n/an/a 2.00E+4n/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))		BDBM50094517
PNG
(1,1,1-Trifluoro-3-[(4-phenoxy-phenyl)-(3-trifluoro...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H19F6NO3/c24-22(25,26)21(31)15-30(14-16-5-4-8-20(13-16)33-23(27,28)29)17-9-11-19(12-10-17)32-18-6-2-1-3-7-18/h1-13,21,31H,14-15H2
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n/an/a 2.50E+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))		BDBM50094514
PNG
(1,1,1-Trifluoro-3-[(3-phenoxy-phenyl)-(3-trifluoro...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C23H19F6NO3/c24-22(25,26)21(31)15-30(14-16-6-4-11-20(12-16)33-23(27,28)29)17-7-5-10-19(13-17)32-18-8-2-1-3-9-18/h1-13,21,31H,14-15H2
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n/an/a 4.00E+4n/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))		BDBM50094526
PNG
(1,1,1-Trifluoro-3-[(3-fluoro-phenyl)-(3-methyl-ben...)
Show SMILES Cc1cccc(CN(CC(O)C(F)(F)F)c2cccc(F)c2)c1
Show InChI InChI=1S/C17H17F4NO/c1-12-4-2-5-13(8-12)10-22(11-16(23)17(19,20)21)15-7-3-6-14(18)9-15/h2-9,16,23H,10-11H2,1H3
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n/an/a>1.00E+5n/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))		BDBM50094523
PNG
(3-(benzyl(3-fluorophenyl)amino)-1,1,1-trifluoropro...)
Show SMILES OC(CN(Cc1ccccc1)c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C16H15F4NO/c17-13-7-4-8-14(9-13)21(11-15(22)16(18,19)20)10-12-5-2-1-3-6-12/h1-9,15,22H,10-11H2
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n/an/a>1.00E+5n/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))		BDBM50094522
PNG
(1,1,1-Trifluoro-3-[(3-fluoro-phenyl)-(2-trifluorom...)
Show SMILES OC(CN(Cc1ccccc1C(F)(F)F)c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H14F7NO/c18-12-5-3-6-13(8-12)25(10-15(26)17(22,23)24)9-11-4-1-2-7-14(11)16(19,20)21/h1-8,15,26H,9-10H2
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n/an/a>1.00E+5n/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))		BDBM50094525
PNG
(1,1,1-Trifluoro-3-[(3-phenoxy-phenyl)-(4-trifluoro...)
Show SMILES OC(CN(Cc1ccc(OC(F)(F)F)cc1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C23H19F6NO3/c24-22(25,26)21(31)15-30(14-16-9-11-19(12-10-16)33-23(27,28)29)17-5-4-8-20(13-17)32-18-6-2-1-3-7-18/h1-13,21,31H,14-15H2
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n/an/a 1.20E+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))		BDBM50094521
PNG
(1,1,1-Trifluoro-3-[phenyl-(3-trifluoromethyl-benzy...)
Show SMILES OC(CN(Cc1cccc(c1)C(F)(F)F)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H15F6NO/c18-16(19,20)13-6-4-5-12(9-13)10-24(11-15(25)17(21,22)23)14-7-2-1-3-8-14/h1-9,15,25H,10-11H2
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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>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))		BDBM50094516
PNG
(1,1,1-Trifluoro-3-[(3-fluoro-phenyl)-(3-trifluorom...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H14F7NO2/c18-12-4-2-5-13(8-12)25(10-15(26)16(19,20)21)9-11-3-1-6-14(7-11)27-17(22,23)24/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
* indicates data uncertainty>20%