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Compile Data Set for Download or QSAR

Found 1486 hits Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein (CETP)'   
Target
(Institution)
LigandTarget
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 (CETP)


(Homo sapiens (Human))
BDBM50128131
PNG
((R)-3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-...)
Show SMILES CCc1cc(Oc2cccc(c2)N(C[C@@H](O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)ccc1Cl
Show InChI InChI=1S/C26H23ClF7NO3/c1-2-17-12-20(9-10-22(17)27)37-19-7-4-6-18(13-19)35(15-23(36)25(30,31)32)14-16-5-3-8-21(11-16)38-26(33,34)24(28)29/h3-13,23-24,36H,2,14-15H2,1H3/t23-/m1/s1
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n/an/a 0.770n/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 with <1 nM [CETP] for 18 ...


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50392514
PNG
(CHEMBL2152167)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)N[C@@H]1CCC(F)(F)C1)c1ccc(Cl)cn1
Show InChI InChI=1S/C27H23ClF7N3O2/c28-18-6-7-22(36-15-18)26(13-16-4-2-1-3-5-16,38-24(39)37-20-8-9-25(32,33)14-20)17-10-19(29)12-21(11-17)40-27(34,35)23(30)31/h1-7,10-12,15,20,23H,8-9,13-14H2,(H2,37,38,39)/t20-,26+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50392527
PNG
(CHEMBL2152180)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NCCC(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C25H20ClF8N3O2/c26-17-6-7-20(36-14-17)23(13-15-4-2-1-3-5-15,37-22(38)35-9-8-24(30,31)32)16-10-18(27)12-19(11-16)39-25(33,34)21(28)29/h1-7,10-12,14,21H,8-9,13H2,(H2,35,37,38)/t23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50392530
PNG
(CHEMBL2152183)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NCC(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C24H18ClF8N3O2/c25-16-6-7-19(34-12-16)22(11-14-4-2-1-3-5-14,36-21(37)35-13-23(29,30)31)15-8-17(26)10-18(9-15)38-24(32,33)20(27)28/h1-10,12,20H,11,13H2,(H2,35,36,37)/t22-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(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 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50312718
PNG
(CHEMBL479527 | torcetrapib)
Show SMILES CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)OC)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of human plasma CETP assessed as [3H]cholesterol ester transfer after 18 hrs by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50128164
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-chlo...)
Show SMILES CCc1cc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)ccc1Cl
Show InChI InChI=1S/C26H23ClF7NO3/c1-2-17-12-20(9-10-22(17)27)37-19-7-4-6-18(13-19)35(15-23(36)25(30,31)32)14-16-5-3-8-21(11-16)38-26(33,34)24(28)29/h3-13,23-24,36H,2,14-15H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CETP (unknown origin)-mediated transfer of [3H]cholesteryl ester from HDL donar particles to LDL acceptor particles


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50128164
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-chlo...)
Show SMILES CCc1cc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)ccc1Cl
Show InChI InChI=1S/C26H23ClF7NO3/c1-2-17-12-20(9-10-22(17)27)37-19-7-4-6-18(13-19)35(15-23(36)25(30,31)32)14-16-5-3-8-21(11-16)38-26(33,34)24(28)29/h3-13,23-24,36H,2,14-15H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CETP (unknown origin)-mediated transfer of [3H]cholesteryl ester from HDL donar particles to LDL acceptor particles in presence of buff...


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50392513
PNG
(CHEMBL2152166)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCC(F)(F)C1)c1ccc(Cl)cn1
Show InChI InChI=1S/C27H23ClF7N3O2/c28-18-6-7-22(36-15-18)26(13-16-4-2-1-3-5-16,38-24(39)37-20-8-9-25(32,33)14-20)17-10-19(29)12-21(11-17)40-27(34,35)23(30)31/h1-7,10-12,15,20,23H,8-9,13-14H2,(H2,37,38,39)/t20?,26-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM192305
PNG
(US9187450, 51)
Show SMILES CN(Cc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1/C37H45F6N5O3S/c1-35(2)17-27-30(28(49)18-35)29(23-9-13-36(39,40)14-10-23)31(32(38)24-5-7-26(8-6-24)37(41,42)43)33(46-27)25-11-15-48(16-12-25)34-44-19-22(20-45-34)21-47(3)52(4,50)51/h5-8,19-20,23,25,28,32,49H,9-18,21H2,1-4H3/t28-,32-/s2
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US Patent
n/an/a 6n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A recombinant human CETP protein (manufactured by Roar Biomedical Inc.; 4.5 ng), the acceptor lipoprotein described in (2) above (32.5 ug) and 5,5'...


US Patent US9187450 (2015)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM192306
PNG
(US9187450, 52)
Show SMILES CC(C)S(=O)(=O)N(C)Cc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C39H49F6N5O3S/c1-23(2)54(52,53)49(5)22-24-20-46-36(47-21-24)50-16-12-27(13-17-50)35-33(34(40)26-6-8-28(9-7-26)39(43,44)45)31(25-10-14-38(41,42)15-11-25)32-29(48-35)18-37(3,4)19-30(32)51/h6-9,20-21,23,25,27,30,34,51H,10-19,22H2,1-5H3/t30-,34-/s2
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US Patent
n/an/a 6n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A recombinant human CETP protein (manufactured by Roar Biomedical Inc.; 4.5 ng), the acceptor lipoprotein described in (2) above (32.5 ug) and 5,5'...


US Patent US9187450 (2015)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50392512
PNG
(CHEMBL2152165)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C27H25ClF5N3O2/c28-19-10-11-23(34-16-19)26(15-17-6-2-1-3-7-17,36-25(37)35-21-8-4-5-9-21)18-12-20(29)14-22(13-18)38-27(32,33)24(30)31/h1-3,6-7,10-14,16,21,24H,4-5,8-9,15H2,(H2,35,36,37)/t26-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50392528
PNG
(CHEMBL2152181)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NCC(F)(F)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C25H18ClF10N3O2/c26-16-6-7-19(37-12-16)22(11-14-4-2-1-3-5-14,39-21(40)38-13-23(30,31)25(34,35)36)15-8-17(27)10-18(9-15)41-24(32,33)20(28)29/h1-10,12,20H,11,13H2,(H2,38,39,40)/t22-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50392504
PNG
(CHEMBL2152158)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCC(F)(F)C1)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C26H22ClF6N3O/c27-19-6-7-22(34-15-19)25(13-16-4-2-1-3-5-16,17-10-18(26(31,32)33)12-20(28)11-17)36-23(37)35-21-8-9-24(29,30)14-21/h1-7,10-12,15,21H,8-9,13-14H2,(H2,35,36,37)/t21?,25-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50392512
PNG
(CHEMBL2152165)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C27H25ClF5N3O2/c28-19-10-11-23(34-16-19)26(15-17-6-2-1-3-7-17,36-25(37)35-21-8-4-5-9-21)18-12-20(29)14-22(13-18)38-27(32,33)24(30)31/h1-3,6-7,10-14,16,21,24H,4-5,8-9,15H2,(H2,35,36,37)/t26-/m0/s1
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n/an/a 6.90n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated [3H]cholesteryl ester transfer from HDL to biotinylated LDL by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50392515
PNG
(CHEMBL2152168)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)N[C@H]1CCC(F)(F)C1)c1ccc(Cl)cn1
Show InChI InChI=1S/C27H23ClF7N3O2/c28-18-6-7-22(36-15-18)26(13-16-4-2-1-3-5-16,38-24(39)37-20-8-9-25(32,33)14-20)17-10-19(29)12-21(11-17)40-27(34,35)23(30)31/h1-7,10-12,15,20,23H,8-9,13-14H2,(H2,37,38,39)/t20-,26-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50392512
PNG
(CHEMBL2152165)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C27H25ClF5N3O2/c28-19-10-11-23(34-16-19)26(15-17-6-2-1-3-7-17,36-25(37)35-21-8-4-5-9-21)18-12-20(29)14-22(13-18)38-27(32,33)24(30)31/h1-3,6-7,10-14,16,21,24H,4-5,8-9,15H2,(H2,35,36,37)/t26-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP using [3H]-CE/HDL by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50312714
PNG
((S)-4-cyclohexyl-2-cyclopentyl-3-((S)-fluoro(4-(tr...)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCCC1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCCCC1
Show InChI InChI=1S/C30H37F4NO/c1-29(2)16-22-25(23(36)17-29)24(18-8-4-3-5-9-18)26(28(35-22)20-10-6-7-11-20)27(31)19-12-14-21(15-13-19)30(32,33)34/h12-15,18,20,23,27,36H,3-11,16-17H2,1-2H3/t23-,27-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of human plasma CETP assessed as [3H]cholesterol ester transfer after 18 hrs by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50392517
PNG
(CHEMBL2152170)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CC(F)(F)C1)c1ccc(Cl)cn1
Show InChI InChI=1S/C26H21ClF7N3O2/c27-17-6-7-21(35-14-17)25(11-15-4-2-1-3-5-15,37-23(38)36-19-12-24(31,32)13-19)16-8-18(28)10-20(9-16)39-26(33,34)22(29)30/h1-10,14,19,22H,11-13H2,(H2,36,37,38)/t25-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM179530
PNG
(US9126976, 61)
Show SMILES O[C@H](CN1C(CN(Cc2cccc(OC(F)(F)F)c2)c2ccccc12)c1cccc(OC(F)F)c1)C(F)(F)F
Show InChI InChI=1/C26H22F8N2O3/c27-24(28)38-18-7-4-6-17(12-18)22-14-35(13-16-5-3-8-19(11-16)39-26(32,33)34)20-9-1-2-10-21(20)36(22)15-23(37)25(29,30)31/h1-12,22-24,37H,13-15H2/t22?,23-/s2
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n/an/a 7.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An in vitro assay for determining ICso's to identify compounds that inhibit CETP transfer activity is performed based on a modification of a publishe...


US Patent US9126976 (2015)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM179535
PNG
(US9126976, 66)
Show SMILES O[C@H](CN1[C@@H](CN(CC2=CCCCC2)c2ccccc12)c1cccc(OC(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1/C25H26F6N2O2/c26-24(27,28)23(34)16-33-21-12-5-4-11-20(21)32(14-17-7-2-1-3-8-17)15-22(33)18-9-6-10-19(13-18)35-25(29,30)31/h4-7,9-13,22-23,34H,1-3,8,14-16H2/t22-,23+/s2
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n/an/a 8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
First, low density lipoprotein (LDL) (Meridian) was biotinylated by incubating LDL with biotin for 1 hour on ice, after which it was dialyzed to remo...


US Patent US9126976 (2015)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50392526
PNG
(CHEMBL2152179)
Show SMILES CCCNC(=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1
Show InChI InChI=1S/C25H23ClF5N3O2/c1-2-10-32-23(35)34-24(14-16-6-4-3-5-7-16,21-9-8-18(26)15-33-21)17-11-19(27)13-20(12-17)36-25(30,31)22(28)29/h3-9,11-13,15,22H,2,10,14H2,1H3,(H2,32,34,35)/t24-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM192303
PNG
(US9187450, 49 | US9321747, 2)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(OCC(CO)CO)cn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1
Show InChI InChI=1/C38H46F6N4O4/c1-36(2)15-28-31(29(51)16-36)30(23-7-11-37(40,41)12-8-23)32(33(39)24-3-5-26(6-4-24)38(42,43)44)34(47-28)25-9-13-48(14-10-25)35-45-17-27(18-46-35)52-21-22(19-49)20-50/h3-6,17-18,22-23,25,29,33,49-51H,7-16,19-21H2,1-2H3/t29-,33-/s2
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n/an/a 8n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A recombinant human CETP protein (manufactured by Roar Biomedical Inc.; 4.5 ng), the acceptor lipoprotein described in (2) above (32.5 ug) and 5,5'...


US Patent US9187450 (2015)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM184568
PNG
(US9150583, 5)
Show SMILES CC(C)c1nc2[C@H](O)C3(CC3)C[C@H](O)c2c2c1[C@H](OC21CCOCC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C27H30F3NO4/c1-14(2)21-19-20(18-17(32)13-25(7-8-25)24(33)22(18)31-21)26(9-11-34-12-10-26)35-23(19)15-3-5-16(6-4-15)27(28,29)30/h3-6,14,17,23-24,32-33H,7-13H2,1-2H3/t17-,23+,24-/s2
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
CETP inhibitory activity of compounds of the present invention can be determined in a fluorometric assay purchased from Roar Biomedical, Inc. (New Yo...


US Patent US9150583 (2015)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM173858
PNG
(US9102599, 2)
Show SMILES O[C@H](CNCC(Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1/C25H21ClF8N2O2/c26-17-6-7-20(36-12-17)23(11-15-4-2-1-3-5-15,14-35-13-21(37)24(30,31)32)16-8-18(27)10-19(9-16)38-25(33,34)22(28)29/h1-10,12,21-22,35,37H,11,13-14H2/t21-,23?/s2
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds of the present invention inhibit CETP-dependent cholesterol ester transfer from HDL to LDL as described here. Dilutions of compounds in DMS...


US Patent US9102599 (2015)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50392522
PNG
(CHEMBL2152175)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)N1CC(F)(F)C(F)(F)C1)c1ccc(Cl)cn1
Show InChI InChI=1S/C26H19ClF9N3O2/c27-17-6-7-20(37-12-17)23(11-15-4-2-1-3-5-15,38-22(40)39-13-24(31,32)25(33,34)14-39)16-8-18(28)10-19(9-16)41-26(35,36)21(29)30/h1-10,12,21H,11,13-14H2,(H,38,40)/t23-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM192295
PNG
(US9187450, 43 | US9321747, 12)
Show SMILES CC(C)(O)CCOc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C39H48F6N4O3/c1-36(2)19-28-31(29(50)20-36)30(23-9-13-38(41,42)14-10-23)32(33(40)24-5-7-26(8-6-24)39(43,44)45)34(48-28)25-11-16-49(17-12-25)35-46-21-27(22-47-35)52-18-15-37(3,4)51/h5-8,21-23,25,29,33,50-51H,9-20H2,1-4H3/t29-,33-/s2
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n/an/a 9n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A recombinant human CETP protein (manufactured by Roar Biomedical Inc.; 4.5 ng), the acceptor lipoprotein described in (2) above (32.5 ug) and 5,5'...


US Patent US9187450 (2015)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM173867
PNG
(US9102599, 50)
Show SMILES Cc1ccc(CC(CNC[C@@H](O)C(F)(F)F)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)cc1
Show InChI InChI=1/C27H24F9NO3/c1-17-8-10-18(11-9-17)14-24(16-37-15-23(38)25(28,29)30,19-4-2-6-21(12-19)39-26(31,32)33)20-5-3-7-22(13-20)40-27(34,35)36/h2-13,23,37-38H,14-16H2,1H3/t23-/s2
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds of the present invention inhibit CETP-dependent cholesterol ester transfer from HDL to LDL as described here. Dilutions of compounds in DMS...


US Patent US9102599 (2015)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM192298
PNG
(US9187450, 45 | US9321747, 19)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(OCCCS(C)(=O)=O)cn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1
Show InChI InChI=1/C38H46F6N4O4S/c1-36(2)19-28-31(29(49)20-36)30(23-9-13-37(40,41)14-10-23)32(33(39)24-5-7-26(8-6-24)38(42,43)44)34(47-28)25-11-15-48(16-12-25)35-45-21-27(22-46-35)52-17-4-18-53(3,50)51/h5-8,21-23,25,29,33,49H,4,9-20H2,1-3H3/t29-,33-/s2
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n/an/a 10n/an/an/an/an/an/a



DAIICHI SANKYO COMPANY, LIMITED; UBE INDUSTRIES, LTD.

US Patent


Assay Description
A recombinant human CETP protein (manufactured by Roar Biomedical Inc.; 4.5 ng), the acceptor lipoprotein described in (2) above (32.5 μg) and 5,5...


US Patent US9321747 (2016)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50376718
PNG
(CHEMBL261502)
Show SMILES Cc1c(Cl)ccc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(ccc3o2)C#N)c1C
Show InChI InChI=1S/C24H18ClN3O3/c1-14-15(2)21(10-8-19(14)25)30-13-23(29)27-18-6-4-17(5-7-18)24-28-20-11-16(12-26)3-9-22(20)31-24/h3-11H,13H2,1-2H3,(H,27,29)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50392516
PNG
(CHEMBL2152169)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CC1(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C25H19ClF7N3O2/c26-16-6-7-19(34-13-16)23(11-14-4-2-1-3-5-14,36-22(37)35-20-12-24(20,30)31)15-8-17(27)10-18(9-15)38-25(32,33)21(28)29/h1-10,13,20-21H,11-12H2,(H2,35,36,37)/t20?,23-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM192289
PNG
(US9187450, 38)
Show SMILES CN1CCC(CC1)Oc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C40H49F6N5O2/c1-38(2)20-30-33(31(52)21-38)32(24-8-14-39(42,43)15-9-24)34(35(41)25-4-6-27(7-5-25)40(44,45)46)36(49-30)26-10-18-51(19-11-26)37-47-22-29(23-48-37)53-28-12-16-50(3)17-13-28/h4-7,22-24,26,28,31,35,52H,8-21H2,1-3H3/t31-,35-/s2
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n/an/a 10n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A recombinant human CETP protein (manufactured by Roar Biomedical Inc.; 4.5 ng), the acceptor lipoprotein described in (2) above (32.5 ug) and 5,5'...


US Patent US9187450 (2015)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM179525
PNG
(US9126976, 56)
Show SMILES O[C@H](CN1C(CN(C2C=Cc3ccccc23)c2ccccc12)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F
Show InChI InChI=1/C28H23F7N2O2/c29-26(30)28(34,35)39-19-8-5-7-18(14-19)24-15-36(21-13-12-17-6-1-2-9-20(17)21)22-10-3-4-11-23(22)37(24)16-25(38)27(31,32)33/h1-14,21,24-26,38H,15-16H2/t21?,24?,25-/s2
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
First, low density lipoprotein (LDL) (Meridian) was biotinylated by incubating LDL with biotin for 1 hour on ice, after which it was dialyzed to remo...


US Patent US9126976 (2015)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM184566
PNG
(US9150583, 3)
Show SMILES COc1cc(ccc1C(F)(F)F)[C@H]1OC2(CCOCC2)c2c1c(nc1CC3(CC3)C[C@H](O)c21)C(C)C
Show InChI InChI=1/C28H32F3NO4/c1-15(2)24-22-23(21-18(32-24)13-26(6-7-26)14-19(21)33)27(8-10-35-11-9-27)36-25(22)16-4-5-17(28(29,30)31)20(12-16)34-3/h4-5,12,15,19,25,33H,6-11,13-14H2,1-3H3/t19-,25+/s2
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n/an/a 11n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
CETP inhibitory activity of compounds of the present invention can be determined in a fluorometric assay purchased from Roar Biomedical, Inc. (New Yo...


US Patent US9150583 (2015)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50376712
PNG
(CHEMBL259502)
Show SMILES Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2o1)C#N
Show InChI InChI=1S/C23H16BrN3O3/c1-14-10-17(24)5-9-20(14)29-13-22(28)26-18-6-3-16(4-7-18)23-27-19-11-15(12-25)2-8-21(19)30-23/h2-11H,13H2,1H3,(H,26,28)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM184570
PNG
(US9150583, 7)
Show SMILES COc1cc(ccc1C(F)(F)F)[C@H]1OC2(CCOCC2)c2c1c(nc1[C@H](O)C3(CC3)C[C@H](O)c21)C(C)C
Show InChI InChI=1/C28H32F3NO5/c1-14(2)22-20-21(19-17(33)13-26(6-7-26)25(34)23(19)32-22)27(8-10-36-11-9-27)37-24(20)15-4-5-16(28(29,30)31)18(12-15)35-3/h4-5,12,14,17,24-25,33-34H,6-11,13H2,1-3H3/t17-,24+,25-/s2
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n/an/a 11n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
CETP inhibitory activity of compounds of the present invention can be determined in a fluorometric assay purchased from Roar Biomedical, Inc. (New Yo...


US Patent US9150583 (2015)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM192292
PNG
(US9187450, 40 | US9321747, 16)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(OC[C@H](O)CO)cn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1
Show InChI InChI=1/C37H44F6N4O4/c1-35(2)15-27-30(28(50)16-35)29(21-7-11-36(39,40)12-8-21)31(32(38)22-3-5-24(6-4-22)37(41,42)43)33(46-27)23-9-13-47(14-10-23)34-44-17-26(18-45-34)51-20-25(49)19-48/h3-6,17-18,21,23,25,28,32,48-50H,7-16,19-20H2,1-2H3/t25-,28+,32+/s2
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n/an/a 11n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A recombinant human CETP protein (manufactured by Roar Biomedical Inc.; 4.5 ng), the acceptor lipoprotein described in (2) above (32.5 ug) and 5,5'...


US Patent US9187450 (2015)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM192295
PNG
(US9187450, 43 | US9321747, 12)
Show SMILES CC(C)(O)CCOc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C39H48F6N4O3/c1-36(2)19-28-31(29(50)20-36)30(23-9-13-38(41,42)14-10-23)32(33(40)24-5-7-26(8-6-24)39(43,44)45)34(48-28)25-11-16-49(17-12-25)35-46-21-27(22-47-35)52-18-15-37(3,4)51/h5-8,21-23,25,29,33,50-51H,9-20H2,1-4H3/t29-,33-/s2
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n/an/a 11.6n/an/an/an/an/an/a



DAIICHI SANKYO COMPANY, LIMITED; UBE INDUSTRIES, LTD.

US Patent


Assay Description
A recombinant human CETP protein (manufactured by Roar Biomedical Inc.; 4.5 ng), the acceptor lipoprotein described in (2) above (32.5 μg) and 5,5...


US Patent US9321747 (2016)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM179526
PNG
(US9126976, 57)
Show SMILES O[C@H](CN1C(CN(C2CCCc3ccccc23)c2ccccc12)c1cccc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C28H26F6N2O/c29-27(30,31)20-10-5-9-19(15-20)25-16-35(22-14-6-8-18-7-1-2-11-21(18)22)23-12-3-4-13-24(23)36(25)17-26(37)28(32,33)34/h1-5,7,9-13,15,22,25-26,37H,6,8,14,16-17H2/t22?,25?,26-/s2
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n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
First, low density lipoprotein (LDL) (Meridian) was biotinylated by incubating LDL with biotin for 1 hour on ice, after which it was dialyzed to remo...


US Patent US9126976 (2015)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50381390
PNG
(CHEMBL2017388)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(Cl)cc(c2)C(F)(F)F)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C
Show InChI InChI=1S/C25H29ClF3N7O2/c1-6-19-12-21(22-20(8-7-15(4)30-22)36(19)24(37)38-14(2)3)35(23-31-33-34(5)32-23)13-16-9-17(25(27,28)29)11-18(26)10-16/h7-11,14,19,21H,6,12-13H2,1-5H3/t19-,21+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM179501
PNG
(US9126976, 32)
Show SMILES O[C@H](CN1[C@@H](CN(Cc2cc(Cl)cc(Cl)c2)c2ccccc12)c1cccc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C25H20Cl2F6N2O/c26-18-8-15(9-19(27)11-18)12-34-13-22(16-4-3-5-17(10-16)24(28,29)30)35(14-23(36)25(31,32)33)21-7-2-1-6-20(21)34/h1-11,22-23,36H,12-14H2/t22-,23+/s2
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n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
First, low density lipoprotein (LDL) (Meridian) was biotinylated by incubating LDL with biotin for 1 hour on ice, after which it was dialyzed to remo...


US Patent US9126976 (2015)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM192295
PNG
(US9187450, 43 | US9321747, 12)
Show SMILES CC(C)(O)CCOc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C39H48F6N4O3/c1-36(2)19-28-31(29(50)20-36)30(23-9-13-38(41,42)14-10-23)32(33(40)24-5-7-26(8-6-24)39(43,44)45)34(48-28)25-11-16-49(17-12-25)35-46-21-27(22-47-35)52-18-15-37(3,4)51/h5-8,21-23,25,29,33,50-51H,9-20H2,1-4H3/t29-,33-/s2
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n/an/a 13n/an/an/an/an/an/a



DAIICHI SANKYO COMPANY, LIMITED; UBE INDUSTRIES, LTD.

US Patent


Assay Description
A recombinant human CETP protein (manufactured by Roar Biomedical Inc.; 4.5 ng), the acceptor lipoprotein described in (2) above (32.5 μg) and 5,5...


US Patent US9321747 (2016)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM192298
PNG
(US9187450, 45 | US9321747, 19)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(OCCCS(C)(=O)=O)cn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1
Show InChI InChI=1/C38H46F6N4O4S/c1-36(2)19-28-31(29(49)20-36)30(23-9-13-37(40,41)14-10-23)32(33(39)24-5-7-26(8-6-24)38(42,43)44)34(47-28)25-11-15-48(16-12-25)35-45-21-27(22-46-35)52-17-4-18-53(3,50)51/h5-8,21-23,25,29,33,49H,4,9-20H2,1-3H3/t29-,33-/s2
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n/an/a 13n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A recombinant human CETP protein (manufactured by Roar Biomedical Inc.; 4.5 ng), the acceptor lipoprotein described in (2) above (32.5 ug) and 5,5'...


US Patent US9187450 (2015)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM192304
PNG
(US9187450, 50 | US9321747, 5)
Show SMILES CC(CO)(CO)COc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C39H48F6N4O4/c1-36(2)16-28-31(29(52)17-36)30(23-8-12-38(41,42)13-9-23)32(33(40)24-4-6-26(7-5-24)39(43,44)45)34(48-28)25-10-14-49(15-11-25)35-46-18-27(19-47-35)53-22-37(3,20-50)21-51/h4-7,18-19,23,25,29,33,50-52H,8-17,20-22H2,1-3H3/t29-,33-/s2
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n/an/a 13n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A recombinant human CETP protein (manufactured by Roar Biomedical Inc.; 4.5 ng), the acceptor lipoprotein described in (2) above (32.5 ug) and 5,5'...


US Patent US9187450 (2015)

More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50383600
PNG
(CHEMBL2032415)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F
Show InChI InChI=1S/C27H27F9N6O2/c1-5-19-12-22(20-11-16(25(28,29)30)6-7-21(20)42(19)24(43)44-14(2)3)41(23-37-39-40(4)38-23)13-15-8-17(26(31,32)33)10-18(9-15)27(34,35)36/h6-11,14,19,22H,5,12-13H2,1-4H3/t19-,22+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50337153
PNG
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)
Show SMILES CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1
Show InChI InChI=1S/C38H38FN5O3/c1-23(2)31-17-26(20-40)18-33-36(31)47-38(43-33)28-7-5-27(6-8-28)37(45)42-21-25-13-15-44(16-14-25)35-12-9-29(22-41-35)32-19-30(39)10-11-34(32)46-24(3)4/h5-12,17-19,22-25H,13-16,21H2,1-4H3,(H,42,45)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CETP


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50312718
PNG
(CHEMBL479527 | torcetrapib)
Show SMILES CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)OC)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CETP-mediated BODIPY-labeled cholesteryl ester transfer after 45 mins by FRET analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50337153
PNG
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)
Show SMILES CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1
Show InChI InChI=1S/C38H38FN5O3/c1-23(2)31-17-26(20-40)18-33-36(31)47-38(43-33)28-7-5-27(6-8-28)37(45)42-21-25-13-15-44(16-14-25)35-12-9-29(22-41-35)32-19-30(39)10-11-34(32)46-24(3)4/h5-12,17-19,22-25H,13-16,21H2,1-4H3,(H,42,45)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CETP


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50334828
PNG
(CHEMBL1643160 | N-(4-(5-cyano-7-methylbenzo[d]oxaz...)
Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(NC(=O)CN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1)C#N
Show InChI InChI=1S/C28H24F3N5O2/c1-18-13-19(16-32)14-24-26(18)38-27(34-24)20-5-7-22(8-6-20)33-25(37)17-35-9-11-36(12-10-35)23-4-2-3-21(15-23)28(29,30)31/h2-8,13-15H,9-12,17H2,1H3,(H,33,37)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer by fluorescence-based assay


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein (CETP)


(Homo sapiens (Human))
BDBM50360871
PNG
(CHEMBL1935001)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[N+]([O-])=O)C(C)C
Show InChI InChI=1S/C29H25F7N2O5/c1-14(2)22-11-23(25(42-4)12-24(22)30)21-6-5-20(38(40)41)9-17(21)13-37-15(3)26(43-27(37)39)16-7-18(28(31,32)33)10-19(8-16)29(34,35)36/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1
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n/an/a 13.3n/an/an/an/an/an/a



Merck Sharp& Dohme Corp.

Curated by ChEMBL


Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
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