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Compile Data Set for Download or QSAR

Found 1863 hits Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein'   
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))
BDBM124863
PNG
(US8759365, 5-3)
Show SMILES CC[C@@H]1C[C@@H](CN1C(=O)C1CCCCC1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C30H34F6N6O/c1-3-25-12-26(18-41(25)27(43)20-7-5-4-6-8-20)42(28-37-13-21(14-38-28)22-15-39-40(2)17-22)16-19-9-23(29(31,32)33)11-24(10-19)30(34,35)36/h9-11,13-15,17,20,25-26H,3-8,12,16,18H2,1-2H3/t25-,26+/m1/s1
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n/an/a 92n/an/an/an/a7.437



Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124880
PNG
(US8759365, 33-2)
Show SMILES CC[C@@H]1C[C@@H](CN1c1nc(ncc1Cl)N1CCC(CC1)C(O)=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)N1CCOCC1
Show InChI InChI=1S/C33H37ClF6N8O3/c1-2-24-14-25(19-47(24)28-27(34)17-43-31(44-28)46-5-3-21(4-6-46)29(49)50)48(30-41-15-26(16-42-30)45-7-9-51-10-8-45)18-20-11-22(32(35,36)37)13-23(12-20)33(38,39)40/h11-13,15-17,21,24-25H,2-10,14,18-19H2,1H3,(H,49,50)/t24-,25+/m1/s1
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n/an/a 130n/an/an/an/a7.437



Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124864
PNG
(US8759365, 6-1)
Show SMILES CC[C@@H]1C[C@@H](CN1C(=O)OCC(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C28H32F6N6O2/c1-5-23-9-24(15-40(23)26(41)42-16-17(2)3)39(25-35-10-19(11-36-25)20-12-37-38(4)14-20)13-18-6-21(27(29,30)31)8-22(7-18)28(32,33)34/h6-8,10-12,14,17,23-24H,5,9,13,15-16H2,1-4H3/t23-,24+/m1/s1
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n/an/a 69n/an/an/an/a7.437



Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124865
PNG
(US8759365, 6-2)
Show SMILES CC[C@@H]1C[C@@H](CN1C(=O)OCC(C)(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C29H34F6N6O2/c1-6-23-10-24(16-41(23)26(42)43-17-27(2,3)4)40(25-36-11-19(12-37-25)20-13-38-39(5)15-20)14-18-7-21(28(30,31)32)9-22(8-18)29(33,34)35/h7-9,11-13,15,23-24H,6,10,14,16-17H2,1-5H3/t23-,24+/m1/s1
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n/an/a 47n/an/an/an/a7.437



Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124866
PNG
(US8759365, 7-4)
Show SMILES CC[C@@H]1C[C@@H](CN1C(=O)OC1CCOCC1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C29H32F6N6O3/c1-3-23-11-24(17-41(23)27(42)44-25-4-6-43-7-5-25)40(26-36-12-19(13-37-26)20-14-38-39(2)16-20)15-18-8-21(28(30,31)32)10-22(9-18)29(33,34)35/h8-10,12-14,16,23-25H,3-7,11,15,17H2,1-2H3/t23-,24+/m1/s1
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n/an/a 60n/an/an/an/a7.437



Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124867
PNG
(US8759365, 7-6)
Show SMILES CC[C@@H]1C[C@@H](CN1C(=O)OCC1CCOCC1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C30H34F6N6O3/c1-3-25-11-26(17-42(25)28(43)45-18-19-4-6-44-7-5-19)41(27-37-12-21(13-38-27)22-14-39-40(2)16-22)15-20-8-23(29(31,32)33)10-24(9-20)30(34,35)36/h8-10,12-14,16,19,25-26H,3-7,11,15,17-18H2,1-2H3/t25-,26+/m1/s1
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Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124883
PNG
(US8759365, 9)
Show SMILES CC[C@@H]1C[C@@H](CN1C(=O)OCC1(C)COC1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C29H32F6N6O3/c1-4-23-8-24(14-41(23)26(42)44-17-27(2)15-43-16-27)40(25-36-9-19(10-37-25)20-11-38-39(3)13-20)12-18-5-21(28(30,31)32)7-22(6-18)29(33,34)35/h5-7,9-11,13,23-24H,4,8,12,14-17H2,1-3H3/t23-,24+/m1/s1
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Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124868
PNG
(US8759365, 9-1)
Show SMILES CCC(CC)OC(=O)N1C[C@H](C[C@H]1CC)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C29H34F6N6O2/c1-5-23-11-24(17-41(23)27(42)43-25(6-2)7-3)40(26-36-12-19(13-37-26)20-14-38-39(4)16-20)15-18-8-21(28(30,31)32)10-22(9-18)29(33,34)35/h8-10,12-14,16,23-25H,5-7,11,15,17H2,1-4H3/t23-,24+/m1/s1
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Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124869
PNG
(US8759365, 9-2)
Show SMILES CC[C@@H]1C[C@@H](CN1C(=O)OCC(F)(F)F)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C26H25F9N6O2/c1-3-20-7-21(13-41(20)23(42)43-14-24(27,28)29)40(22-36-8-16(9-37-22)17-10-38-39(2)12-17)11-15-4-18(25(30,31)32)6-19(5-15)26(33,34)35/h4-6,8-10,12,20-21H,3,7,11,13-14H2,1-2H3/t20-,21+/m1/s1
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Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124870
PNG
(US8759365, 9-3)
Show SMILES CC[C@@H]1C[C@@H](CN1C(=O)OC1CCCC1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C29H32F6N6O2/c1-3-23-11-24(17-41(23)27(42)43-25-6-4-5-7-25)40(26-36-12-19(13-37-26)20-14-38-39(2)16-20)15-18-8-21(28(30,31)32)10-22(9-18)29(33,34)35/h8-10,12-14,16,23-25H,3-7,11,15,17H2,1-2H3/t23-,24+/m1/s1
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Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124871
PNG
(US8759365, 9-4 | US8759365, 9-5)
Show SMILES CCC(C)OC(=O)N1C[C@H](C[C@H]1CC)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C28H32F6N6O2/c1-5-17(3)42-26(41)40-16-24(10-23(40)6-2)39(25-35-11-19(12-36-25)20-13-37-38(4)15-20)14-18-7-21(27(29,30)31)9-22(8-18)28(32,33)34/h7-9,11-13,15,17,23-24H,5-6,10,14,16H2,1-4H3/t17?,23-,24+/m1/s1
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n/an/a 21n/an/an/an/a7.437



Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124871
PNG
(US8759365, 9-4 | US8759365, 9-5)
Show SMILES CCC(C)OC(=O)N1C[C@H](C[C@H]1CC)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C28H32F6N6O2/c1-5-17(3)42-26(41)40-16-24(10-23(40)6-2)39(25-35-11-19(12-36-25)20-13-37-38(4)15-20)14-18-7-21(27(29,30)31)9-22(8-18)28(32,33)34/h7-9,11-13,15,17,23-24H,5-6,10,14,16H2,1-4H3/t17?,23-,24+/m1/s1
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Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124873
PNG
(US8759365, 9-6)
Show SMILES CC[C@@H]1C[C@@H](CN1C(=O)OCC1(CC)COC1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C30H34F6N6O3/c1-4-24-9-25(15-42(24)27(43)45-18-28(5-2)16-44-17-28)41(26-37-10-20(11-38-26)21-12-39-40(3)14-21)13-19-6-22(29(31,32)33)8-23(7-19)30(34,35)36/h6-8,10-12,14,24-25H,4-5,9,13,15-18H2,1-3H3/t24-,25+/m1/s1
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Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124874
PNG
(US8759365, 11)
Show SMILES CC[C@@H]1C[C@@H](CN1C(=O)OC(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)N1CC[C@H](O)C1
Show InChI InChI=1S/C27H33F6N5O3/c1-4-20-10-21(14-38(20)25(40)41-16(2)3)37(24-34-11-22(12-35-24)36-6-5-23(39)15-36)13-17-7-18(26(28,29)30)9-19(8-17)27(31,32)33/h7-9,11-12,16,20-21,23,39H,4-6,10,13-15H2,1-3H3/t20-,21+,23+/m1/s1
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Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124881
PNG
(US8759365, 14)
Show SMILES CC[C@@H]1C[C@@H](CN1C(=O)OC(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cn[nH]c1
Show InChI InChI=1S/C26H28F6N6O2/c1-4-21-8-22(14-38(21)24(39)40-15(2)3)37(23-33-9-17(10-34-23)18-11-35-36-12-18)13-16-5-19(25(27,28)29)7-20(6-16)26(30,31)32/h5-7,9-12,15,21-22H,4,8,13-14H2,1-3H3,(H,35,36)/t21-,22+/m1/s1
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Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124875
PNG
(US8759365, 16)
Show SMILES CC[C@@H]1C[C@@H](CN1C(=O)N1CCCC1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C28H31F6N7O/c1-3-23-11-24(17-41(23)26(42)39-6-4-5-7-39)40(25-35-12-19(13-36-25)20-14-37-38(2)16-20)15-18-8-21(27(29,30)31)10-22(9-18)28(32,33)34/h8-10,12-14,16,23-24H,3-7,11,15,17H2,1-2H3/t23-,24+/m1/s1
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Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124884
PNG
(US8759365, 16-2)
Show SMILES CC[C@H]1C[C@H](CN1C(=O)N1CCCCC1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C29H33F6N7O/c1-3-24-12-25(18-42(24)27(43)40-7-5-4-6-8-40)41(26-36-13-20(14-37-26)21-15-38-39(2)17-21)16-19-9-22(28(30,31)32)11-23(10-19)29(33,34)35/h9-11,13-15,17,24-25H,3-8,12,16,18H2,1-2H3/t24-,25+/m0/s1
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n/an/a 25n/an/an/an/a7.437



Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124876
PNG
(US8759365, 17)
Show SMILES CC[C@@H]1C[C@@H](CN1C(=O)N1CCOCC1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C28H31F6N7O2/c1-3-23-11-24(17-41(23)26(42)39-4-6-43-7-5-39)40(25-35-12-19(13-36-25)20-14-37-38(2)16-20)15-18-8-21(27(29,30)31)10-22(9-18)28(32,33)34/h8-10,12-14,16,23-24H,3-7,11,15,17H2,1-2H3/t23-,24+/m1/s1
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n/an/a 32n/an/an/an/a7.437



Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124877
PNG
(US8759365, 18)
Show SMILES CC[C@@H]1C[C@@H](CN1C(=O)N(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C26H29F6N7O/c1-5-21-9-22(15-39(21)24(40)36(2)3)38(23-33-10-17(11-34-23)18-12-35-37(4)14-18)13-16-6-19(25(27,28)29)8-20(7-16)26(30,31)32/h6-8,10-12,14,21-22H,5,9,13,15H2,1-4H3/t21-,22+/m1/s1
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n/an/a 63n/an/an/an/a7.437



Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124885
PNG
(US8759365, 23-6)
Show SMILES CC[C@@H]1C[C@@H](CN1c1nc(ncc1Cl)N1CCC(O)CC1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)N1CCC(O)C1
Show InChI InChI=1S/C32H37ClF6N8O2/c1-2-22-12-23(17-46(22)28-27(33)15-42-30(43-28)44-6-3-25(48)4-7-44)47(29-40-13-24(14-41-29)45-8-5-26(49)18-45)16-19-9-20(31(34,35)36)11-21(10-19)32(37,38)39/h9-11,13-15,22-23,25-26,48-49H,2-8,12,16-18H2,1H3/t22-,23+,26?/m1/s1
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Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124878
PNG
(US8759365, 23-10)
Show SMILES CC[C@@H]1C[C@@H](CN1c1nc(ncc1Cl)N1CCC(O)CC1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C32H34ClF6N9O/c1-3-24-11-25(18-47(24)28-27(33)15-42-30(44-28)46-6-4-26(49)5-7-46)48(29-40-12-20(13-41-29)21-14-43-45(2)17-21)16-19-8-22(31(34,35)36)10-23(9-19)32(37,38)39/h8-10,12-15,17,24-26,49H,3-7,11,16,18H2,1-2H3/t24-,25+/m1/s1
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Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124879
PNG
(US8759365, 32)
Show SMILES CC[C@@H]1C[C@@H](CN1c1nc(ncc1Cl)N1CCC(CC1)C(O)=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C33H34ClF6N9O2/c1-3-25-11-26(18-48(25)28-27(34)15-43-31(45-28)47-6-4-20(5-7-47)29(50)51)49(30-41-12-21(13-42-30)22-14-44-46(2)17-22)16-19-8-23(32(35,36)37)10-24(9-19)33(38,39)40/h8-10,12-15,17,20,25-26H,3-7,11,16,18H2,1-2H3,(H,50,51)/t25-,26+/m1/s1
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Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124882
PNG
(US8759365, 6)
Show SMILES CC[C@@H]1C[C@@H](CN1C(=O)OC(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1
Show InChI InChI=1S/C27H30F6N6O2/c1-5-22-9-23(15-39(22)25(40)41-16(2)3)38(24-34-10-18(11-35-24)19-12-36-37(4)14-19)13-17-6-20(26(28,29)30)8-21(7-17)27(31,32)33/h6-8,10-12,14,16,22-23H,5,9,13,15H2,1-4H3/t22-,23+/m1/s1
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Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM41567
PNG
(US8871738, 81)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(C)cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C37H28F7N3O5/c1-17-10-20(13-22(11-17)37(42,43)44)32-30-9-8-29(47(30)35(49)51-32)26-14-21(36(39,40)41)5-7-24(26)27-15-25(28(38)16-31(27)50-3)23-6-4-19(12-18(23)2)33-45-46-34(48)52-33/h4-7,10-16,29-30,32H,8-9H2,1-3H3,(H,46,48)/t29-,30-,32+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM41568
PNG
(US8871738, 83)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(C)cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)-c1nnc(N)o1
Show InChI InChI=1S/C37H29F7N4O4/c1-17-10-20(13-22(11-17)37(42,43)44)32-30-9-8-29(48(30)35(49)51-32)26-14-21(36(39,40)41)5-7-24(26)27-15-25(28(38)16-31(27)50-3)23-6-4-19(12-18(23)2)33-46-47-34(45)52-33/h4-7,10-16,29-30,32H,8-9H2,1-3H3,(H2,45,47)/t29-,30-,32+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138222
PNG
(US8871738, 5)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C
Show InChI InChI=1S/C31H25F10NO3/c1-14(2)20-12-22(26(44-3)13-23(20)32)19-5-4-16(29(33,34)35)11-21(19)24-6-7-25-27(45-28(43)42(24)25)15-8-17(30(36,37)38)10-18(9-15)31(39,40)41/h4-5,8-14,24-25,27H,6-7H2,1-3H3/t24-,25-,27+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138223
PNG
(US8871738, 6)
Show SMILES COC(=O)c1ccc(c(C)c1)-c1cc(c(OC)cc1F)-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C37H27F10NO5/c1-17-10-18(33(49)52-3)4-6-23(17)25-15-27(31(51-2)16-28(25)38)24-7-5-20(35(39,40)41)14-26(24)29-8-9-30-32(53-34(50)48(29)30)19-11-21(36(42,43)44)13-22(12-19)37(45,46)47/h4-7,10-16,29-30,32H,8-9H2,1-3H3/t29-,30-,32+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138224
PNG
(US8871738, 62 | US8871738, 7)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C36H25F10NO5/c1-16-9-17(32(48)49)3-5-22(16)24-14-26(30(51-2)15-27(24)37)23-6-4-19(34(38,39)40)13-25(23)28-7-8-29-31(52-33(50)47(28)29)18-10-20(35(41,42)43)12-21(11-18)36(44,45)46/h3-6,9-15,28-29,31H,7-8H2,1-2H3,(H,48,49)/t28-,29-,31+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138225
PNG
(US8871738, 8)
Show SMILES COc1ccc(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)[C@H]1C[C@@H](C1)C(O)=O
Show InChI InChI=1S/C33H26F9NO5/c1-47-27-7-2-15(16-8-18(9-16)29(44)45)12-24(27)22-4-3-19(31(34,35)36)14-23(22)25-5-6-26-28(48-30(46)43(25)26)17-10-20(32(37,38)39)13-21(11-17)33(40,41)42/h2-4,7,10-14,16,18,25-26,28H,5-6,8-9H2,1H3,(H,44,45)/t16-,18-,25-,26-,28+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138226
PNG
(US8871738, 9)
Show SMILES COc1ccc(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C#N
Show InChI InChI=1S/C29H19F9N2O3/c1-42-24-7-2-14(13-39)8-21(24)19-4-3-16(27(30,31)32)12-20(19)22-5-6-23-25(43-26(41)40(22)23)15-9-17(28(33,34)35)11-18(10-15)29(36,37)38/h2-4,7-12,22-23,25H,5-6H2,1H3/t22-,23-,25+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138227
PNG
(US8871738, 10)
Show SMILES COc1ncc(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H18F12N2O3/c1-44-23-19(10-16(11-41-23)28(38,39)40)17-3-2-13(25(29,30)31)9-18(17)20-4-5-21-22(45-24(43)42(20)21)12-6-14(26(32,33)34)8-15(7-12)27(35,36)37/h2-3,6-11,20-22H,4-5H2,1H3/t20-,21-,22+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138228
PNG
(US8871738, 11)
Show SMILES COc1ncc(Cl)cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H18ClF9N2O3/c1-41-23-19(10-16(28)11-38-23)17-3-2-13(25(29,30)31)9-18(17)20-4-5-21-22(42-24(40)39(20)21)12-6-14(26(32,33)34)8-15(7-12)27(35,36)37/h2-3,6-11,20-22H,4-5H2,1H3/t20-,21-,22+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138229
PNG
(US8871738, 12)
Show SMILES FC(F)(F)c1ccc(-c2cscc2C#N)c(c1)[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H15F9N2O2S/c27-24(28,29)14-1-2-17(19-11-40-10-13(19)9-36)18(8-14)20-3-4-21-22(39-23(38)37(20)21)12-5-15(25(30,31)32)7-16(6-12)26(33,34)35/h1-2,5-8,10-11,20-22H,3-4H2/t20-,21-,22+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138230
PNG
(US8871738, 13)
Show SMILES COc1ccc(C)cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H22F9NO3/c1-14-3-8-24(41-2)21(9-14)19-5-4-16(27(30,31)32)13-20(19)22-6-7-23-25(42-26(40)39(22)23)15-10-17(28(33,34)35)12-18(11-15)29(36,37)38/h3-5,8-13,22-23,25H,6-7H2,1-2H3/t22-,23-,25+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138231
PNG
(US8871738, 14)
Show SMILES COc1ccc(Cl)cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H19ClF9NO3/c1-41-23-7-3-17(29)12-20(23)18-4-2-14(26(30,31)32)11-19(18)21-5-6-22-24(42-25(40)39(21)22)13-8-15(27(33,34)35)10-16(9-13)28(36,37)38/h2-4,7-12,21-22,24H,5-6H2,1H3/t21-,22-,24+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138232
PNG
(US8871738, 15)
Show SMILES FC(F)(F)c1ccc(c(c1)[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C27H17ClF9NO2/c28-20-4-2-1-3-18(20)17-6-5-14(25(29,30)31)12-19(17)21-7-8-22-23(40-24(39)38(21)22)13-9-15(26(32,33)34)11-16(10-13)27(35,36)37/h1-6,9-12,21-23H,7-8H2/t21-,22-,23+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138233
PNG
(US8871738, 16)
Show SMILES Cc1cocc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H18F9NO3/c1-12-10-38-11-19(12)17-3-2-14(24(27,28)29)9-18(17)20-4-5-21-22(39-23(37)36(20)21)13-6-15(25(30,31)32)8-16(7-13)26(33,34)35/h2-3,6-11,20-22H,4-5H2,1H3/t20-,21-,22+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138234
PNG
(US8871738, 17)
Show SMILES FC(F)(F)c1ccc(C2=CCCCC2)c(c1)[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H22F9NO2/c28-25(29,30)16-6-7-19(14-4-2-1-3-5-14)20(13-16)21-8-9-22-23(39-24(38)37(21)22)15-10-17(26(31,32)33)12-18(11-15)27(34,35)36/h4,6-7,10-13,21-23H,1-3,5,8-9H2/t21-,22-,23+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138235
PNG
(US8871738, 18)
Show SMILES FC(F)(F)c1ccc(-c2ccsc2)c(c1)[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H16F9NO2S/c26-23(27,28)14-1-2-17(12-5-6-38-11-12)18(10-14)19-3-4-20-21(37-22(36)35(19)20)13-7-15(24(29,30)31)9-16(8-13)25(32,33)34/h1-2,5-11,19-21H,3-4H2/t19-,20-,21+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138236
PNG
(US8871738, 19)
Show SMILES COc1ccc(F)cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H19F10NO3/c1-41-23-7-3-17(29)12-20(23)18-4-2-14(26(30,31)32)11-19(18)21-5-6-22-24(42-25(40)39(21)22)13-8-15(27(33,34)35)10-16(9-13)28(36,37)38/h2-4,7-12,21-22,24H,5-6H2,1H3/t21-,22-,24+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138237
PNG
(US8871738, 20)
Show SMILES FC(F)(F)c1ccc(-c2cccc(c2)C#N)c(c1)[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H17F9N2O2/c29-26(30,31)17-4-5-20(15-3-1-2-14(8-15)13-38)21(12-17)22-6-7-23-24(41-25(40)39(22)23)16-9-18(27(32,33)34)11-19(10-16)28(35,36)37/h1-5,8-12,22-24H,6-7H2/t22-,23-,24+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138238
PNG
(US8871738, 21)
Show SMILES COc1ncccc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H19F9N2O3/c1-40-23-18(3-2-8-37-23)17-5-4-14(25(28,29)30)12-19(17)20-6-7-21-22(41-24(39)38(20)21)13-9-15(26(31,32)33)11-16(10-13)27(34,35)36/h2-5,8-12,20-22H,6-7H2,1H3/t20-,21-,22+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138239
PNG
(US8871738, 22)
Show SMILES FC(F)(F)c1ccc(C2=CCCC2)c(c1)[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H20F9NO2/c27-24(28,29)15-5-6-18(13-3-1-2-4-13)19(12-15)20-7-8-21-22(38-23(37)36(20)21)14-9-16(25(30,31)32)11-17(10-14)26(33,34)35/h3,5-6,9-12,20-22H,1-2,4,7-8H2/t20-,21-,22+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138240
PNG
(US8871738, 23)
Show SMILES Fc1ccc(Cl)cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H16ClF10NO2/c28-16-2-4-20(29)18(11-16)17-3-1-13(25(30,31)32)10-19(17)21-5-6-22-23(41-24(40)39(21)22)12-7-14(26(33,34)35)9-15(8-12)27(36,37)38/h1-4,7-11,21-23H,5-6H2/t21-,22-,23+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138241
PNG
(US8871738, 24)
Show SMILES Cc1cscc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H18F9NO2S/c1-12-10-39-11-19(12)17-3-2-14(24(27,28)29)9-18(17)20-4-5-21-22(38-23(37)36(20)21)13-6-15(25(30,31)32)8-16(7-13)26(33,34)35/h2-3,6-11,20-22H,4-5H2,1H3/t20-,21-,22+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138242
PNG
(US8871738, 25)
Show SMILES Fc1ccc(F)c(c1)-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H16F11NO2/c28-16-2-4-20(29)18(11-16)17-3-1-13(25(30,31)32)10-19(17)21-5-6-22-23(41-24(40)39(21)22)12-7-14(26(33,34)35)9-15(8-12)27(36,37)38/h1-4,7-11,21-23H,5-6H2/t21-,22-,23+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138243
PNG
(US8871738, 26)
Show SMILES Cc1ccc(Cl)cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H19ClF9NO2/c1-13-2-4-18(29)12-20(13)19-5-3-15(26(30,31)32)11-21(19)22-6-7-23-24(41-25(40)39(22)23)14-8-16(27(33,34)35)10-17(9-14)28(36,37)38/h2-5,8-12,22-24H,6-7H2,1H3/t22-,23-,24+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138244
PNG
(US8871738, 27)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(C)cc(c1)C(F)(F)F)C(F)(F)F)C(C)C
Show InChI InChI=1S/C31H28F7NO3/c1-15(2)21-13-23(27(41-4)14-24(21)32)20-6-5-18(30(33,34)35)12-22(20)25-7-8-26-28(42-29(40)39(25)26)17-9-16(3)10-19(11-17)31(36,37)38/h5-6,9-15,25-26,28H,7-8H2,1-4H3/t25-,26-,28+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138245
PNG
(US8871738, 28)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(F)cc(c1)C(F)(F)F)C(F)(F)F)C(C)C
Show InChI InChI=1S/C30H25F8NO3/c1-14(2)20-12-22(26(41-3)13-23(20)32)19-5-4-16(29(33,34)35)11-21(19)24-6-7-25-27(42-28(40)39(24)25)15-8-17(30(36,37)38)10-18(31)9-15/h4-5,8-14,24-25,27H,6-7H2,1-3H3/t24-,25-,27+/m0/s1
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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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138246
PNG
(US8871738, 29)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(C)cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C36H28F7NO5/c1-17-10-20(13-22(11-17)36(41,42)43)32-30-9-8-29(44(30)34(47)49-32)26-14-21(35(38,39)40)5-7-24(26)27-15-25(28(37)16-31(27)48-3)23-6-4-19(33(45)46)12-18(23)2/h4-7,10-16,29-30,32H,8-9H2,1-3H3,(H,45,46)/t29-,30-,32+/m0/s1
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n/an/a 44.6n/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 US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
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