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PubMed code 20089400

Compile data set for download or QSAR
Found 27 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))		BDBM50306617
PNG
((S)-1-fluoro-3-((S)-3-(3-(1,1,2,2-tetrafluoroethox...)
Show SMILES O[C@H](CF)CN1[C@H](COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C26H21F8NO4/c27-12-17(36)13-35-21-9-3-8-20(15-4-1-7-19(10-15)39-26(32,33)34)23(21)37-14-22(35)16-5-2-6-18(11-16)38-25(30,31)24(28)29/h1-11,17,22,24,36H,12-14H2/t17-,22-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306605
PNG
((S)-1,1,1-trifluoro-3-((S)-3-(3-(1,1,2,2-tetrafluo...)
Show SMILES O[C@@H](CN1[C@H](COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H19F10NO4/c27-23(28)25(32,33)40-16-6-2-5-15(11-16)20-13-39-22-18(14-4-1-7-17(10-14)41-26(34,35)36)8-3-9-19(22)37(20)12-21(38)24(29,30)31/h1-11,20-21,23,38H,12-13H2/t20-,21+/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306608
PNG
((S)-1,1,1-trifluoro-3-((S)-3-(3-(1,1,2,2-tetrafluo...)
Show SMILES O[C@@H](CN1[C@H](COc2c1cccc2-c1cc(F)c(F)c(F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H17F10NO3/c26-16-8-13(9-17(27)21(16)28)15-5-2-6-18-22(15)38-11-19(36(18)10-20(37)24(31,32)33)12-3-1-4-14(7-12)39-25(34,35)23(29)30/h1-9,19-20,23,37H,10-11H2/t19-,20+/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306605
PNG
((S)-1,1,1-trifluoro-3-((S)-3-(3-(1,1,2,2-tetrafluo...)
Show SMILES O[C@@H](CN1[C@H](COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H19F10NO4/c27-23(28)25(32,33)40-16-6-2-5-15(11-16)20-13-39-22-18(14-4-1-7-17(10-14)41-26(34,35)36)8-3-9-19(22)37(20)12-21(38)24(29,30)31/h1-11,20-21,23,38H,12-13H2/t20-,21+/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306607
PNG
((S)-3-((S)-8-(3,5-difluorophenyl)-3-(3-(1,1,2,2-te...)
Show SMILES O[C@@H](CN1[C@H](COc2c1cccc2-c1cc(F)cc(F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H18F9NO3/c26-15-7-14(8-16(27)10-15)18-5-2-6-19-22(18)37-12-20(35(19)11-21(36)24(30,31)32)13-3-1-4-17(9-13)38-25(33,34)23(28)29/h1-10,20-21,23,36H,11-12H2/t20-,21+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306619
PNG
((S)-1-((S)-3-(3-(1,1,2,2-tetrafluoroethoxy)phenyl)...)
Show SMILES C[C@H](O)CN1[C@H](COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C26H22F7NO4/c1-15(35)13-34-21-10-4-9-20(16-5-2-8-19(11-16)38-26(31,32)33)23(21)36-14-22(34)17-6-3-7-18(12-17)37-25(29,30)24(27)28/h2-12,15,22,24,35H,13-14H2,1H3/t15-,22+/m0/s1
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n/an/a 88n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306611
PNG
((S)-1,1,1-trifluoro-3-((S)-3-(3-(trifluoromethoxy)...)
Show SMILES O[C@@H](CN1[C@H](COc2c1cccc2-c1cc(F)c(F)c(F)c1)c1cccc(OC(F)(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H16F9NO3/c25-16-8-13(9-17(26)21(16)27)15-5-2-6-18-22(15)36-11-19(34(18)10-20(35)23(28,29)30)12-3-1-4-14(7-12)37-24(31,32)33/h1-9,19-20,35H,10-11H2/t19-,20+/m1/s1
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n/an/a 94n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306612
PNG
((S)-3-((S)-3,8-bis(3-(trifluoromethoxy)phenyl)-2H-...)
Show SMILES O[C@@H](CN1[C@H](COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H18F9NO4/c26-23(27,28)21(36)12-35-19-9-3-8-18(14-4-1-6-16(10-14)38-24(29,30)31)22(19)37-13-20(35)15-5-2-7-17(11-15)39-25(32,33)34/h1-11,20-21,36H,12-13H2/t20-,21+/m1/s1
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n/an/a 107n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306602
PNG
(3-methyl-1-(3-(3-(1,1,2,2-tetrafluoroethoxy)phenyl...)
Show SMILES CC(C)C(O)CN1C(COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1
Show InChI InChI=1S/C28H26F7NO4/c1-16(2)24(37)14-36-22-11-5-10-21(17-6-3-9-20(12-17)40-28(33,34)35)25(22)38-15-23(36)18-7-4-8-19(13-18)39-27(31,32)26(29)30/h3-13,16,23-24,26,37H,14-15H2,1-2H3
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n/an/a 129n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306612
PNG
((S)-3-((S)-3,8-bis(3-(trifluoromethoxy)phenyl)-2H-...)
Show SMILES O[C@@H](CN1[C@H](COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H18F9NO4/c26-23(27,28)21(36)12-35-19-9-3-8-18(14-4-1-6-16(10-14)38-24(29,30)31)22(19)37-13-20(35)15-5-2-7-17(11-15)39-25(32,33)34/h1-11,20-21,36H,12-13H2/t20-,21+/m1/s1
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n/an/a 133n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306618
PNG
((R)-1-fluoro-3-((S)-3-(3-(1,1,2,2-tetrafluoroethox...)
Show SMILES O[C@@H](CF)CN1[C@H](COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C26H21F8NO4/c27-12-17(36)13-35-21-9-3-8-20(15-4-1-7-19(10-15)39-26(32,33)34)23(21)37-14-22(35)16-5-2-6-18(11-16)38-25(30,31)24(28)29/h1-11,17,22,24,36H,12-14H2/t17-,22+/m0/s1
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n/an/a 147n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306604
PNG
(4-propyl-3-(3-(1,1,2,2-tetrafluoroethoxy)phenyl)-8...)
Show SMILES CCCN1C(COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1
Show InChI InChI=1S/C26H22F7NO3/c1-2-12-34-21-11-5-10-20(16-6-3-9-19(13-16)37-26(31,32)33)23(21)35-15-22(34)17-7-4-8-18(14-17)36-25(29,30)24(27)28/h3-11,13-14,22,24H,2,12,15H2,1H3
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n/an/a 190n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306610
PNG
((S)-3-((S)-8-(3,5-difluorophenyl)-3-(3-(trifluorom...)
Show SMILES O[C@@H](CN1[C@H](COc2c1cccc2-c1cc(F)cc(F)c1)c1cccc(OC(F)(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H17F8NO3/c25-15-7-14(8-16(26)10-15)18-5-2-6-19-22(18)35-12-20(33(19)11-21(34)23(27,28)29)13-3-1-4-17(9-13)36-24(30,31)32/h1-10,20-21,34H,11-12H2/t20-,21+/m1/s1
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n/an/a 193n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306613
PNG
(3-(3-(3-chlorophenyl)-8-(3-(trifluoromethoxy)pheny...)
Show SMILES OC(CN1C(COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF6NO3/c25-16-6-1-5-15(10-16)20-13-34-22-18(14-4-2-7-17(11-14)35-24(29,30)31)8-3-9-19(22)32(20)12-21(33)23(26,27)28/h1-11,20-21,33H,12-13H2
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n/an/a 214n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306616
PNG
(3-(3-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-8-(3-(...)
Show SMILES OC(CN1C(COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1ccc2OC(F)(F)Oc2c1)C(F)(F)F
Show InChI InChI=1S/C25H17F8NO5/c26-23(27,28)21(35)11-34-17-6-2-5-16(13-3-1-4-15(9-13)37-24(29,30)31)22(17)36-12-18(34)14-7-8-19-20(10-14)39-25(32,33)38-19/h1-10,18,21,35H,11-12H2
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306606
PNG
(1,1,1-trifluoro-3-(8-(3-fluorophenyl)-3-(3-(1,1,2,...)
Show SMILES OC(CN1C(COc2c1cccc2-c1cccc(F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C25H19F8NO3/c26-16-6-1-4-14(10-16)18-8-3-9-19-22(18)36-13-20(34(19)12-21(35)24(29,30)31)15-5-2-7-17(11-15)37-25(32,33)23(27)28/h1-11,20-21,23,35H,12-13H2
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n/an/a 322n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306615
PNG
(1,1,1-trifluoro-3-(8-(3-(trifluoromethoxy)phenyl)-...)
Show SMILES OC(CN1C(COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(SC(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C25H18F9NO3S/c26-23(27,28)21(36)12-35-19-9-3-8-18(14-4-1-6-16(10-14)38-24(29,30)31)22(19)37-13-20(35)15-5-2-7-17(11-15)39-25(32,33)34/h1-11,20-21,36H,12-13H2
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306614
PNG
(3-(3-(3-ethoxyphenyl)-8-(3-(trifluoromethoxy)pheny...)
Show SMILES CCOc1cccc(c1)C1COc2c(cccc2-c2cccc(OC(F)(F)F)c2)N1CC(O)C(F)(F)F
Show InChI InChI=1S/C26H23F6NO4/c1-2-35-18-8-4-7-17(13-18)22-15-36-24-20(16-6-3-9-19(12-16)37-26(30,31)32)10-5-11-21(24)33(22)14-23(34)25(27,28)29/h3-13,22-23,34H,2,14-15H2,1H3
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n/an/a 490n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306603
PNG
(2-methyl-1-(3-(3-(1,1,2,2-tetrafluoroethoxy)phenyl...)
Show SMILES CC(C)(O)CN1C(COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1
Show InChI InChI=1S/C27H24F7NO4/c1-25(2,36)15-35-21-11-5-10-20(16-6-3-9-19(12-16)39-27(32,33)34)23(21)37-14-22(35)17-7-4-8-18(13-17)38-26(30,31)24(28)29/h3-13,22,24,36H,14-15H2,1-2H3
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n/an/a 560n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306609
PNG
((S)-3-((S)-8-(3,5-bis(trifluoromethyl)phenyl)-3-(3...)
Show SMILES O[C@@H](CN1[C@H](COc2c1cccc2-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H18F13NO3/c28-23(29)27(39,40)44-17-4-1-3-13(9-17)20-12-43-22-18(5-2-6-19(22)41(20)11-21(42)26(36,37)38)14-7-15(24(30,31)32)10-16(8-14)25(33,34)35/h1-10,20-21,23,42H,11-12H2/t20-,21+/m1/s1
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n/an/a 580n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50306605
PNG
((S)-1,1,1-trifluoro-3-((S)-3-(3-(1,1,2,2-tetrafluo...)
Show SMILES O[C@@H](CN1[C@H](COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H19F10NO4/c27-23(28)25(32,33)40-16-6-2-5-15(11-16)20-13-39-22-18(14-4-1-7-17(10-14)41-26(34,35)36)8-3-9-19(22)37(20)12-21(38)24(29,30)31/h1-11,20-21,23,38H,12-13H2/t20-,21+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cholesteryl ester transfer protein in human plasma by [3H]CE HDL assay

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50306605
PNG
((S)-1,1,1-trifluoro-3-((S)-3-(3-(1,1,2,2-tetrafluo...)
Show SMILES O[C@@H](CN1[C@H](COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H19F10NO4/c27-23(28)25(32,33)40-16-6-2-5-15(11-16)20-13-39-22-18(14-4-1-7-17(10-14)41-26(34,35)36)8-3-9-19(22)37(20)12-21(38)24(29,30)31/h1-11,20-21,23,38H,12-13H2/t20-,21+/m1/s1
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50306605
PNG
((S)-1,1,1-trifluoro-3-((S)-3-(3-(1,1,2,2-tetrafluo...)
Show SMILES O[C@@H](CN1[C@H](COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H19F10NO4/c27-23(28)25(32,33)40-16-6-2-5-15(11-16)20-13-39-22-18(14-4-1-7-17(10-14)41-26(34,35)36)8-3-9-19(22)37(20)12-21(38)24(29,30)31/h1-11,20-21,23,38H,12-13H2/t20-,21+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50306605
PNG
((S)-1,1,1-trifluoro-3-((S)-3-(3-(1,1,2,2-tetrafluo...)
Show SMILES O[C@@H](CN1[C@H](COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H19F10NO4/c27-23(28)25(32,33)40-16-6-2-5-15(11-16)20-13-39-22-18(14-4-1-7-17(10-14)41-26(34,35)36)8-3-9-19(22)37(20)12-21(38)24(29,30)31/h1-11,20-21,23,38H,12-13H2/t20-,21+/m1/s1
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 tissue isoform in human liver microsomes

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50306605
PNG
((S)-1,1,1-trifluoro-3-((S)-3-(3-(1,1,2,2-tetrafluo...)
Show SMILES O[C@@H](CN1[C@H](COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H19F10NO4/c27-23(28)25(32,33)40-16-6-2-5-15(11-16)20-13-39-22-18(14-4-1-7-17(10-14)41-26(34,35)36)8-3-9-19(22)37(20)12-21(38)24(29,30)31/h1-11,20-21,23,38H,12-13H2/t20-,21+/m1/s1
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50306605
PNG
((S)-1,1,1-trifluoro-3-((S)-3-(3-(1,1,2,2-tetrafluo...)
Show SMILES O[C@@H](CN1[C@H](COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H19F10NO4/c27-23(28)25(32,33)40-16-6-2-5-15(11-16)20-13-39-22-18(14-4-1-7-17(10-14)41-26(34,35)36)8-3-9-19(22)37(20)12-21(38)24(29,30)31/h1-11,20-21,23,38H,12-13H2/t20-,21+/m1/s1
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 muscle isoform in human liver microsomes

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50306605
PNG
((S)-1,1,1-trifluoro-3-((S)-3-(3-(1,1,2,2-tetrafluo...)
Show SMILES O[C@@H](CN1[C@H](COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H19F10NO4/c27-23(28)25(32,33)40-16-6-2-5-15(11-16)20-13-39-22-18(14-4-1-7-17(10-14)41-26(34,35)36)8-3-9-19(22)37(20)12-21(38)24(29,30)31/h1-11,20-21,23,38H,12-13H2/t20-,21+/m1/s1
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes

Bioorg Med Chem Lett 20: 1432-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.096
BindingDB Entry DOI: 10.7270/Q2WW7HRC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%