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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50047610   
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))
BDBM50178701
PNG
(CHEMBL3814374)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178698
PNG
(CHEMBL3813720)
Show SMILES OC(CN[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)CC(F)(F)F |r|
Show InChI InChI=1S/C25H21ClF8N2O2/c26-17-6-7-21(35-13-17)23(11-15-4-2-1-3-5-15,36-14-19(37)12-24(30,31)32)16-8-18(27)10-20(9-16)38-25(33,34)22(28)29/h1-10,13,19,22,36-37H,11-12,14H2/t19?,23-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178699
PNG
(CHEMBL3813836)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C28H26F9NO3/c1-16(2)40-23-12-18(8-9-22(23)30)26(14-17-6-4-3-5-7-17,38-15-24(39)27(33,34)35)19-10-20(29)13-21(11-19)41-28(36,37)25(31)32/h3-13,16,24-25,38-39H,14-15H2,1-2H3/t24-,26-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178702
PNG
(CHEMBL3814963)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27+/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178700
PNG
(CHEMBL3814418)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C28H26F9NO3/c1-16(2)40-23-12-18(8-9-22(23)30)26(14-17-6-4-3-5-7-17,38-15-24(39)27(33,34)35)19-10-20(29)13-21(11-19)41-28(36,37)25(31)32/h3-13,16,24-25,38-39H,14-15H2,1-2H3/t24-,26+/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178691
PNG
(CHEMBL3814359)
Show SMILES OC(CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1)CC(F)(F)F |r|
Show InChI InChI=1S/C24H20ClF7N2O/c25-18-6-7-21(33-13-18)22(11-15-4-2-1-3-5-15,34-14-20(35)12-23(27,28)29)16-8-17(24(30,31)32)10-19(26)9-16/h1-10,13,20,34-35H,11-12,14H2/t20?,22-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178697
PNG
(CHEMBL3813777)
Show SMILES O[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H19ClF8N2O2/c25-16-6-7-19(34-12-16)22(11-14-4-2-1-3-5-14,35-13-20(36)23(29,30)31)15-8-17(26)10-18(9-15)37-24(32,33)21(27)28/h1-10,12,20-21,35-36H,11,13H2/t20-,22+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178692
PNG
(CHEMBL3814646)
Show SMILES O[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C23H18ClF7N2O/c24-17-6-7-19(32-12-17)21(11-14-4-2-1-3-5-14,33-13-20(34)23(29,30)31)15-8-16(22(26,27)28)10-18(25)9-15/h1-10,12,20,33-34H,11,13H2/t20-,21+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178701
PNG
(CHEMBL3814374)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178693
PNG
(CHEMBL3814330)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NC(=O)c1ccc(F)c(c1)C(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C28H17ClF8N2O/c29-20-7-9-24(38-15-20)26(14-16-4-2-1-3-5-16,18-11-19(27(32,33)34)13-21(30)12-18)39-25(40)17-6-8-23(31)22(10-17)28(35,36)37/h1-13,15H,14H2,(H,39,40)/t26-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178699
PNG
(CHEMBL3813836)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C28H26F9NO3/c1-16(2)40-23-12-18(8-9-22(23)30)26(14-17-6-4-3-5-7-17,38-15-24(39)27(33,34)35)19-10-20(29)13-21(11-19)41-28(36,37)25(31)32/h3-13,16,24-25,38-39H,14-15H2,1-2H3/t24-,26-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178702
PNG
(CHEMBL3814963)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27+/m0/s1
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n/an/a 169n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178700
PNG
(CHEMBL3814418)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C28H26F9NO3/c1-16(2)40-23-12-18(8-9-22(23)30)26(14-17-6-4-3-5-7-17,38-15-24(39)27(33,34)35)19-10-20(29)13-21(11-19)41-28(36,37)25(31)32/h3-13,16,24-25,38-39H,14-15H2,1-2H3/t24-,26+/m0/s1
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n/an/a 238n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178689
PNG
(CHEMBL3814561)
Show SMILES CO[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H20ClF7N2O/c1-35-21(24(30,31)32)14-34-22(12-15-5-3-2-4-6-15,20-8-7-18(25)13-33-20)16-9-17(23(27,28)29)11-19(26)10-16/h2-11,13,21,34H,12,14H2,1H3/t21-,22+/m1/s1
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n/an/a 253n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178618
PNG
(CHEMBL3814597)
Show SMILES C[C@H](O)CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C23H21ClF4N2O/c1-15(31)13-30-22(12-16-5-3-2-4-6-16,21-8-7-19(24)14-29-21)17-9-18(23(26,27)28)11-20(25)10-17/h2-11,14-15,30-31H,12-13H2,1H3/t15-,22-/m0/s1
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n/an/a 334n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178694
PNG
(CHEMBL3814612)
Show SMILES C[C@@H](O)CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C23H21ClF4N2O/c1-15(31)13-30-22(12-16-5-3-2-4-6-16,21-8-7-19(24)14-29-21)17-9-18(23(26,27)28)11-20(25)10-17/h2-11,14-15,30-31H,12-13H2,1H3/t15-,22+/m1/s1
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n/an/a 520n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178698
PNG
(CHEMBL3813720)
Show SMILES OC(CN[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)CC(F)(F)F |r|
Show InChI InChI=1S/C25H21ClF8N2O2/c26-17-6-7-21(35-13-17)23(11-15-4-2-1-3-5-15,36-14-19(37)12-24(30,31)32)16-8-18(27)10-20(9-16)38-25(33,34)22(28)29/h1-10,13,19,22,36-37H,11-12,14H2/t19?,23-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178619
PNG
(CHEMBL3814419)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NCC(=O)CC(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H18ClF7N2O/c25-18-6-7-21(33-13-18)22(11-15-4-2-1-3-5-15,34-14-20(35)12-23(27,28)29)16-8-17(24(30,31)32)10-19(26)9-16/h1-10,13,34H,11-12,14H2/t22-/m0/s1
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n/an/a 641n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178690
PNG
(CHEMBL3814686)
Show SMILES CC(=O)O[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C25H20ClF7N2O2/c1-15(36)37-22(25(31,32)33)14-35-23(12-16-5-3-2-4-6-16,21-8-7-19(26)13-34-21)17-9-18(24(28,29)30)11-20(27)10-17/h2-11,13,22,35H,12,14H2,1H3/t22-,23+/m1/s1
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n/an/a 826n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178697
PNG
(CHEMBL3813777)
Show SMILES O[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H19ClF8N2O2/c25-16-6-7-19(34-12-16)22(11-14-4-2-1-3-5-14,35-13-20(36)23(29,30)31)15-8-17(26)10-18(9-15)37-24(32,33)21(27)28/h1-10,12,20-21,35-36H,11,13H2/t20-,22+/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178691
PNG
(CHEMBL3814359)
Show SMILES OC(CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1)CC(F)(F)F |r|
Show InChI InChI=1S/C24H20ClF7N2O/c25-18-6-7-21(33-13-18)22(11-15-4-2-1-3-5-15,34-14-20(35)12-23(27,28)29)16-8-17(24(30,31)32)10-19(26)9-16/h1-10,13,20,34-35H,11-12,14H2/t20?,22-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178692
PNG
(CHEMBL3814646)
Show SMILES O[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C23H18ClF7N2O/c24-17-6-7-19(32-12-17)21(11-14-4-2-1-3-5-14,33-13-20(34)23(29,30)31)15-8-16(22(26,27)28)10-18(25)9-15/h1-10,12,20,33-34H,11,13H2/t20-,21+/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178696
PNG
(CHEMBL3814275)
Show SMILES OC[C@@H](O)CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C23H21ClF4N2O2/c24-18-6-7-21(29-12-18)22(30-13-20(32)14-31,11-15-4-2-1-3-5-15)16-8-17(23(26,27)28)10-19(25)9-16/h1-10,12,20,30-32H,11,13-14H2/t20-,22-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178693
PNG
(CHEMBL3814330)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NC(=O)c1ccc(F)c(c1)C(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C28H17ClF8N2O/c29-20-7-9-24(38-15-20)26(14-16-4-2-1-3-5-16,18-11-19(27(32,33)34)13-21(30)12-18)39-25(40)17-6-8-23(31)22(10-17)28(35,36)37/h1-13,15H,14H2,(H,39,40)/t26-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178695
PNG
(CHEMBL3815118)
Show SMILES OC[C@H](O)CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C23H21ClF4N2O2/c24-18-6-7-21(29-12-18)22(30-13-20(32)14-31,11-15-4-2-1-3-5-15)16-8-17(23(26,27)28)10-19(25)9-16/h1-10,12,20,30-32H,11,13-14H2/t20-,22+/m1/s1
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n/an/a 8.53E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50178700
PNG
(CHEMBL3814418)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C28H26F9NO3/c1-16(2)40-23-12-18(8-9-22(23)30)26(14-17-6-4-3-5-7-17,38-15-24(39)27(33,34)35)19-10-20(29)13-21(11-19)41-28(36,37)25(31)32/h3-13,16,24-25,38-39H,14-15H2,1-2H3/t24-,26+/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ERG flux expressed in HEK293 cells by patch clamp assay


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178618
PNG
(CHEMBL3814597)
Show SMILES C[C@H](O)CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C23H21ClF4N2O/c1-15(31)13-30-22(12-16-5-3-2-4-6-16,21-8-7-19(24)14-29-21)17-9-18(23(26,27)28)11-20(25)10-17/h2-11,14-15,30-31H,12-13H2,1H3/t15-,22-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50178699
PNG
(CHEMBL3813836)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C28H26F9NO3/c1-16(2)40-23-12-18(8-9-22(23)30)26(14-17-6-4-3-5-7-17,38-15-24(39)27(33,34)35)19-10-20(29)13-21(11-19)41-28(36,37)25(31)32/h3-13,16,24-25,38-39H,14-15H2,1-2H3/t24-,26-/m1/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ERG flux expressed in HEK293 cells by patch clamp assay


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50178702
PNG
(CHEMBL3814963)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27+/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ERG flux expressed in HEK293 cells by patch clamp assay


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50178701
PNG
(CHEMBL3814374)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27-/m1/s1
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n/an/a 2.56E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ERG expressed in HEK293 cells assessed as inhibition of peak tail current by patch clamp assay


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50178701
PNG
(CHEMBL3814374)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27-/m1/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ERG flux expressed in HEK293 cells by patch clamp assay


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178619
PNG
(CHEMBL3814419)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NCC(=O)CC(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H18ClF7N2O/c25-18-6-7-21(33-13-18)22(11-15-4-2-1-3-5-15,34-14-20(35)12-23(27,28)29)16-8-17(24(30,31)32)10-19(26)9-16/h1-10,13,34H,11-12,14H2/t22-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178694
PNG
(CHEMBL3814612)
Show SMILES C[C@@H](O)CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C23H21ClF4N2O/c1-15(31)13-30-22(12-16-5-3-2-4-6-16,21-8-7-19(24)14-29-21)17-9-18(23(26,27)28)11-20(25)10-17/h2-11,14-15,30-31H,12-13H2,1H3/t15-,22+/m1/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178689
PNG
(CHEMBL3814561)
Show SMILES CO[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H20ClF7N2O/c1-35-21(24(30,31)32)14-34-22(12-15-5-3-2-4-6-15,20-8-7-18(25)13-33-20)16-9-17(23(27,28)29)11-19(26)10-16/h2-11,13,21,34H,12,14H2,1H3/t21-,22+/m1/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178696
PNG
(CHEMBL3814275)
Show SMILES OC[C@@H](O)CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C23H21ClF4N2O2/c24-18-6-7-21(29-12-18)22(30-13-20(32)14-31,11-15-4-2-1-3-5-15)16-8-17(23(26,27)28)10-19(25)9-16/h1-10,12,20,30-32H,11,13-14H2/t20-,22-/m0/s1
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n/an/a 9.80E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178690
PNG
(CHEMBL3814686)
Show SMILES CC(=O)O[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C25H20ClF7N2O2/c1-15(36)37-22(25(31,32)33)14-35-23(12-16-5-3-2-4-6-16,21-8-7-19(26)13-34-21)17-9-18(24(28,29)30)11-20(27)10-17/h2-11,13,22,35H,12,14H2,1H3/t22-,23+/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair