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Patent code US9353101

Compile Data Set for Download or QSAR
Found 64 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234611
PNG
(US9353101, 7)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1c(C)noc1C |r|
Show InChI InChI=1S/C31H27F7N6O4/c1-14-25(16(3)48-42-14)18-7-22(27(46-4)39-9-18)23-10-40-28(43-11-21(32)12-43)41-24(23)13-44-15(2)26(47-29(44)45)17-5-19(30(33,34)35)8-20(6-17)31(36,37)38/h5-10,15,21,26H,11-13H2,1-4H3/t15-,26-/m0/s1
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n/an/a 3n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234607
PNG
(US9353101, 3)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1sc(C)nc1C |r|
Show InChI InChI=1S/C31H27F7N6O3S/c1-14-26(48-16(3)41-14)18-7-22(27(46-4)39-9-18)23-10-40-28(43-11-21(32)12-43)42-24(23)13-44-15(2)25(47-29(44)45)17-5-19(30(33,34)35)8-20(6-17)31(36,37)38/h5-10,15,21,25H,11-13H2,1-4H3/t15-,25-/m0/s1
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n/an/a 3n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234610
PNG
(US9353101, 6)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1c(C)nn(C)c1C |r|
Show InChI InChI=1S/C32H30F7N7O3/c1-15-26(16(2)44(4)43-15)19-8-23(28(48-5)40-10-19)24-11-41-29(45-12-22(33)13-45)42-25(24)14-46-17(3)27(49-30(46)47)18-6-20(31(34,35)36)9-21(7-18)32(37,38)39/h6-11,17,22,27H,12-14H2,1-5H3/t17-,27-/m0/s1
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n/an/a 3n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234635
PNG
(US9353101, 31)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCC1)C(C)C |r|
Show InChI InChI=1S/C29H29F6N5O3/c1-15(2)18-10-21(25(42-4)36-12-18)22-13-37-26(39-6-5-7-39)38-23(22)14-40-16(3)24(43-27(40)41)17-8-19(28(30,31)32)11-20(9-17)29(33,34)35/h8-13,15-16,24H,5-7,14H2,1-4H3/t16-,24-/m0/s1
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n/an/a 5n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234661
PNG
(US9353101, 57)
Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)(F)C1)-c1c(C)cc(cc1C)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C40H38F8N4O5/c1-20-10-24(35(53)57-37(4,5)6)11-21(2)32(20)25-14-29(34(55-7)49-16-25)28-8-9-31(51-18-38(41,42)19-51)50-30(28)17-52-22(3)33(56-36(52)54)23-12-26(39(43,44)45)15-27(13-23)40(46,47)48/h8-16,22,33H,17-19H2,1-7H3/t22-,33-/m0/s1
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n/an/a 5n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234664
PNG
(US9353101, 60)
Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)(F)C1)-c1ccc(cc1C)C(O)=O |r|
Show InChI InChI=1S/C35H28F8N4O5/c1-17-8-19(31(48)49)4-5-24(17)21-11-26(30(51-3)44-13-21)25-6-7-28(46-15-33(36,37)16-46)45-27(25)14-47-18(2)29(52-32(47)50)20-9-22(34(38,39)40)12-23(10-20)35(41,42)43/h4-13,18,29H,14-16H2,1-3H3,(H,48,49)/t18-,29-/m0/s1
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n/an/a 5n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234632
PNG
(US9353101, 28)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)(F)C1)C(C)C |r|
Show InChI InChI=1S/C29H27F8N5O3/c1-14(2)17-7-20(24(44-4)38-9-17)21-10-39-25(41-12-27(30,31)13-41)40-22(21)11-42-15(3)23(45-26(42)43)16-5-18(28(32,33)34)8-19(6-16)29(35,36)37/h5-10,14-15,23H,11-13H2,1-4H3/t15-,23-/m0/s1
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n/an/a 5n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234621
PNG
(US9353101, 17)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1c(C)n[nH]c1C |r|
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n/an/a 5n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234666
PNG
(US9353101, 62)
Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1ccc(cc1C)C(O)=O |r|
Show InChI InChI=1S/C35H29F7N4O5/c1-17-8-19(32(47)48)4-5-25(17)21-11-27(31(50-3)43-13-21)26-6-7-29(45-14-24(36)15-45)44-28(26)16-46-18(2)30(51-33(46)49)20-9-22(34(37,38)39)12-23(10-20)35(40,41)42/h4-13,18,24,30H,14-16H2,1-3H3,(H,47,48)/t18-,30-/m0/s1
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n/an/a 6n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234662
PNG
(US9353101, 58)
Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)(F)C1)-c1c(C)cc(cc1C)C(O)=O |r|
Show InChI InChI=1S/C36H30F8N4O5/c1-17-7-21(32(49)50)8-18(2)29(17)22-11-26(31(52-4)45-13-22)25-5-6-28(47-15-34(37,38)16-47)46-27(25)14-48-19(3)30(53-33(48)51)20-9-23(35(39,40)41)12-24(10-20)36(42,43)44/h5-13,19,30H,14-16H2,1-4H3,(H,49,50)/t19-,30-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234636
PNG
(US9353101, 32)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1c(C)cc(cc1C)C(O)=O |r|
Show InChI InChI=1S/C35H30F7N5O5/c1-16-5-20(31(48)49)6-17(2)28(16)21-9-25(30(51-4)43-11-21)26-12-44-32(46-13-24(36)14-46)45-27(26)15-47-18(3)29(52-33(47)50)19-7-22(34(37,38)39)10-23(8-19)35(40,41)42/h5-12,18,24,29H,13-15H2,1-4H3,(H,48,49)/t18-,29-/m0/s1
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n/an/a 7n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234637
PNG
(US9353101, 33)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1c(C)cc(cc1C)-c1n[nH]c(=O)o1 |r|
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234646
PNG
(US9353101, 42)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)(F)C1)-c1ccc(cc1C)C(O)=O |r|
Show InChI InChI=1S/C34H27F8N5O5/c1-16-6-18(29(48)49)4-5-23(16)20-9-24(28(51-3)43-11-20)25-12-44-30(46-14-32(35,36)15-46)45-26(25)13-47-17(2)27(52-31(47)50)19-7-21(33(37,38)39)10-22(8-19)34(40,41)42/h4-12,17,27H,13-15H2,1-3H3,(H,48,49)/t17-,27-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234660
PNG
(US9353101, 56)
Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)-c1ccc(cc1C)C(O)=O |r|
Show InChI InChI=1S/C36H32F6N4O6/c1-19-12-21(33(47)48)4-5-26(19)23-15-28(32(50-3)43-17-23)27-6-7-30(45-8-10-51-11-9-45)44-29(27)18-46-20(2)31(52-34(46)49)22-13-24(35(37,38)39)16-25(14-22)36(40,41)42/h4-7,12-17,20,31H,8-11,18H2,1-3H3,(H,47,48)/t20-,31-/m0/s1
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n/an/a 9n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234651
PNG
(US9353101, 47)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(F)cc(c1)C(F)(F)F)N1CC(F)(F)C1)-c1ccc(cc1C)C(O)=O |r|
Show InChI InChI=1S/C33H27F6N5O5/c1-16-6-18(29(45)46)4-5-23(16)20-9-24(28(48-3)40-11-20)25-12-41-30(43-14-32(35,36)15-43)42-26(25)13-44-17(2)27(49-31(44)47)19-7-21(33(37,38)39)10-22(34)8-19/h4-12,17,27H,13-15H2,1-3H3,(H,45,46)/t17-,27-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234623
PNG
(US9353101, 19)
Show SMILES CCn1nc(C)c(c1C)-c1cnc(OC)c(c1)-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1 |r|
Show InChI InChI=1S/C33H32F7N7O3/c1-6-47-17(3)27(16(2)44-47)20-9-24(29(49-5)41-11-20)25-12-42-30(45-13-23(34)14-45)43-26(25)15-46-18(4)28(50-31(46)48)19-7-21(32(35,36)37)10-22(8-19)33(38,39)40/h7-12,18,23,28H,6,13-15H2,1-5H3/t18-,28-/m0/s1
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n/an/a 9n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234641
PNG
(US9353101, 37)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1ccc(cc1C)C(=O)Nc1nnn[nH]1 |r|
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n/an/a 10n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234638
PNG
(US9353101, 34)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)-c1c(C)cc(cc1C)C(O)=O |r|
Show InChI InChI=1S/C36H33F6N5O6/c1-18-9-22(32(48)49)10-19(2)29(18)23-13-26(31(51-4)43-15-23)27-16-44-33(46-5-7-52-8-6-46)45-28(27)17-47-20(3)30(53-34(47)50)21-11-24(35(37,38)39)14-25(12-21)36(40,41)42/h9-16,20,30H,5-8,17H2,1-4H3,(H,48,49)/t20-,30-/m0/s1
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n/an/a 10n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234639
PNG
(US9353101, 35)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)-c1c(C)cc(cc1C)-c1n[nH]c(=O)o1 |r|
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n/an/a 10n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234606
PNG
(US9353101, 2)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)C(C)C |r|
Show InChI InChI=1S/C29H28F7N5O3/c1-14(2)17-7-21(25(43-4)37-9-17)22-10-38-26(40-11-20(30)12-40)39-23(22)13-41-15(3)24(44-27(41)42)16-5-18(28(31,32)33)8-19(6-16)29(34,35)36/h5-10,14-15,20,24H,11-13H2,1-4H3/t15-,24-/m0/s1
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n/an/a 11n/an/an/an/a7.425



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 US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234645
PNG
(US9353101, 41)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)-c1ccc(cc1C)C(=O)Nc1nnn[nH]1 |r|
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n/an/a 11n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234642
PNG
(US9353101, 38)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1ccc(cc1C)-c1n[nH]c(=O)o1 |r|
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n/an/a 12n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234622
PNG
(US9353101, 18)
Show SMILES CCCn1nc(C)c(c1C)-c1cnc(OC)c(c1)-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1 |r|
Show InChI InChI=1S/C34H34F7N7O3/c1-6-7-48-18(3)28(17(2)45-48)21-10-25(30(50-5)42-12-21)26-13-43-31(46-14-24(35)15-46)44-27(26)16-47-19(4)29(51-32(47)49)20-8-22(33(36,37)38)11-23(9-20)34(39,40)41/h8-13,19,24,29H,6-7,14-16H2,1-5H3/t19-,29-/m0/s1
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n/an/a 12n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234640
PNG
(US9353101, 36)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1ccc(cc1C)C(O)=O |r|
Show InChI InChI=1S/C34H28F7N5O5/c1-16-6-18(30(47)48)4-5-24(16)20-9-25(29(50-3)42-11-20)26-12-43-31(45-13-23(35)14-45)44-27(26)15-46-17(2)28(51-32(46)49)19-7-21(33(36,37)38)10-22(8-19)34(39,40)41/h4-12,17,23,28H,13-15H2,1-3H3,(H,47,48)/t17-,28-/m0/s1
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n/an/a 12n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234614
PNG
(US9353101, 10)
Show SMILES CCOc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)C(F)(F)F |r|
Show InChI InChI=1S/C28H23F10N5O3/c1-3-45-23-19(7-17(8-39-23)28(36,37)38)20-9-40-24(42-10-18(29)11-42)41-21(20)12-43-13(2)22(46-25(43)44)14-4-15(26(30,31)32)6-16(5-14)27(33,34)35/h4-9,13,18,22H,3,10-12H2,1-2H3/t13-,22-/m0/s1
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n/an/a 12n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234650
PNG
(US9353101, 46)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(F)cc(c1)C(F)(F)F)N1CC(F)C1)-c1ccc(cc1C)C(O)=O |r|
Show InChI InChI=1S/C33H28F5N5O5/c1-16-6-18(30(44)45)4-5-24(16)20-9-25(29(47-3)39-11-20)26-12-40-31(42-13-23(35)14-42)41-27(26)15-43-17(2)28(48-32(43)46)19-7-21(33(36,37)38)10-22(34)8-19/h4-12,17,23,28H,13-15H2,1-3H3,(H,44,45)/t17-,28-/m0/s1
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n/an/a 12n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234643
PNG
(US9353101, 39)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)-c1ccc(cc1C)C(O)=O |r|
Show InChI InChI=1S/C35H31F6N5O6/c1-18-10-20(31(47)48)4-5-25(18)22-13-26(30(50-3)42-15-22)27-16-43-32(45-6-8-51-9-7-45)44-28(27)17-46-19(2)29(52-33(46)49)21-11-23(34(36,37)38)14-24(12-21)35(39,40)41/h4-5,10-16,19,29H,6-9,17H2,1-3H3,(H,47,48)/t19-,29-/m0/s1
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n/an/a 13n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234613
PNG
(US9353101, 9)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)C(F)(F)F |r|
Show InChI InChI=1S/C27H21F10N5O3/c1-12-21(13-3-14(25(29,30)31)5-15(4-13)26(32,33)34)45-24(43)42(12)11-20-19(8-39-23(40-20)41-9-17(28)10-41)18-6-16(27(35,36)37)7-38-22(18)44-2/h3-8,12,17,21H,9-11H2,1-2H3/t12-,21-/m0/s1
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n/an/a 14n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234620
PNG
(US9353101, 16)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)C(C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C29H25F10N5O4/c1-13-22(14-4-15(27(31,32)33)6-16(5-14)28(34,35)36)48-25(45)44(13)12-21-20(9-41-24(42-21)43-10-18(30)11-43)19-7-17(8-40-23(19)47-3)26(2,46)29(37,38)39/h4-9,13,18,22,46H,10-12H2,1-3H3/t13-,22-,26?/m0/s1
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n/an/a 14n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234663
PNG
(US9353101, 59)
Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)(F)C1)-c1ccc(cc1C)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C39H36F8N4O5/c1-20-11-22(34(52)56-36(3,4)5)7-8-27(20)24-14-29(33(54-6)48-16-24)28-9-10-31(50-18-37(40,41)19-50)49-30(28)17-51-21(2)32(55-35(51)53)23-12-25(38(42,43)44)15-26(13-23)39(45,46)47/h7-16,21,32H,17-19H2,1-6H3/t21-,32-/m0/s1
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n/an/a 15n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234665
PNG
(US9353101, 61)
Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1ccc(cc1C)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C39H37F7N4O5/c1-20-11-22(35(51)55-37(3,4)5)7-8-28(20)24-14-30(34(53-6)47-16-24)29-9-10-32(49-17-27(40)18-49)48-31(29)19-50-21(2)33(54-36(50)52)23-12-25(38(41,42)43)15-26(13-23)39(44,45)46/h7-16,21,27,33H,17-19H2,1-6H3/t21-,33-/m0/s1
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n/an/a 15n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234652
PNG
(US9353101, 48)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(F)cc(c1)C(F)(F)F)N1CC(F)C1)-c1c(C)cc(cc1C)C(O)=O |r|
Show InChI InChI=1S/C34H30F5N5O5/c1-16-5-20(31(45)46)6-17(2)28(16)21-9-25(30(48-4)40-11-21)26-12-41-32(43-13-24(36)14-43)42-27(26)15-44-18(3)29(49-33(44)47)19-7-22(34(37,38)39)10-23(35)8-19/h5-12,18,24,29H,13-15H2,1-4H3,(H,45,46)/t18-,29-/m0/s1
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n/an/a 15n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234627
PNG
(US9353101, 23)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)(F)C1)-c1c(C)n[nH]c1C |r|
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n/an/a 15n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234618
PNG
(US9353101, 14)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(F)cc(F)c1)N1CC(F)C1)C(C)C |r|
Show InChI InChI=1S/C27H28F3N5O3/c1-14(2)17-7-21(25(37-4)31-9-17)22-10-32-26(34-11-20(30)12-34)33-23(22)13-35-15(3)24(38-27(35)36)16-5-18(28)8-19(29)6-16/h5-10,14-15,20,24H,11-13H2,1-4H3/t15-,24-/m0/s1
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n/an/a 16n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234625
PNG
(US9353101, 21)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1c(C)nn(CC#N)c1C |r|
Show InChI InChI=1S/C33H29F7N8O3/c1-16-27(17(2)48(45-16)6-5-41)20-9-24(29(50-4)42-11-20)25-12-43-30(46-13-23(34)14-46)44-26(25)15-47-18(3)28(51-31(47)49)19-7-21(32(35,36)37)10-22(8-19)33(38,39)40/h7-12,18,23,28H,6,13-15H2,1-4H3/t18-,28-/m0/s1
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n/an/a 18n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234634
PNG
(US9353101, 30)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCC[C@@H]1C)C(C)C |r|
Show InChI InChI=1S/C31H33F6N5O3/c1-16(2)20-11-23(27(44-5)38-13-20)24-14-39-28(41-8-6-7-17(41)3)40-25(24)15-42-18(4)26(45-29(42)43)19-9-21(30(32,33)34)12-22(10-19)31(35,36)37/h9-14,16-18,26H,6-8,15H2,1-5H3/t17-,18-,26-/m0/s1
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n/an/a 18n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234631
PNG
(US9353101, 27)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCC1)-c1c(C)n[nH]c1C |r|
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n/an/a 19n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234629
PNG
(US9353101, 25)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCCC1)-c1c(C)n[nH]c1C |r|
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n/an/a 20n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234626
PNG
(US9353101, 22)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1c(C)nn(CC(N)=O)c1C |r|
Show InChI InChI=1S/C33H31F7N8O4/c1-15-27(16(2)48(45-15)14-26(41)49)19-7-23(29(51-4)42-9-19)24-10-43-30(46-11-22(34)12-46)44-25(24)13-47-17(3)28(52-31(47)50)18-5-20(32(35,36)37)8-21(6-18)33(38,39)40/h5-10,17,22,28H,11-14H2,1-4H3,(H2,41,49)/t17-,28-/m0/s1
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n/an/a 22n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234659
PNG
(US9353101, 55)
Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)-c1ccc(cc1C)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C40H40F6N4O6/c1-22-15-24(36(51)56-38(3,4)5)7-8-29(22)26-18-31(35(53-6)47-20-26)30-9-10-33(49-11-13-54-14-12-49)48-32(30)21-50-23(2)34(55-37(50)52)25-16-27(39(41,42)43)19-28(17-25)40(44,45)46/h7-10,15-20,23,34H,11-14,21H2,1-6H3/t23-,34-/m0/s1
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n/an/a 22n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234630
PNG
(US9353101, 26)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)-c1c(C)n[nH]c1C |r|
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n/an/a 23n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234658
PNG
(US9353101, 54)
Show SMILES C[C@H]1[C@H](OC(=O)N1Cc1nc(ncc1-c1cc(cnc1C)-c1ccc(cc1C)C(O)=O)N1CC(F)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C34H28F7N5O4/c1-16-6-19(30(47)48)4-5-25(16)21-9-26(17(2)42-11-21)27-12-43-31(45-13-24(35)14-45)44-28(27)15-46-18(3)29(50-32(46)49)20-7-22(33(36,37)38)10-23(8-20)34(39,40)41/h4-12,18,24,29H,13-15H2,1-3H3,(H,47,48)/t18-,29-/m0/s1
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n/an/a 26n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234644
PNG
(US9353101, 40)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)-c1ccc(cc1C)-c1n[nH]c(=O)o1 |r|
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n/an/a 29n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234655
PNG
(US9353101, 51)
Show SMILES C[C@H]1[C@H](OC(=O)N1Cc1nc(ncc1-c1sc(nc1C)-c1ccc(cc1C)C(O)=O)N1CC(F)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C32H26F7N5O4S/c1-14-6-17(28(45)46)4-5-22(14)27-41-15(2)26(49-27)23-10-40-29(43-11-21(33)12-43)42-24(23)13-44-16(3)25(48-30(44)47)18-7-19(31(34,35)36)9-20(8-18)32(37,38)39/h4-10,16,21,25H,11-13H2,1-3H3,(H,45,46)/t16-,25-/m0/s1
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n/an/a 33n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234609
PNG
(US9353101, 5)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)C1CC1 |r|
Show InChI InChI=1S/C29H26F7N5O3/c1-14-24(16-5-18(28(31,32)33)8-19(6-16)29(34,35)36)44-27(42)41(14)13-23-22(10-38-26(39-23)40-11-20(30)12-40)21-7-17(15-3-4-15)9-37-25(21)43-2/h5-10,14-15,20,24H,3-4,11-13H2,1-2H3/t14-,24-/m0/s1
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n/an/a 34n/an/an/an/a7.425



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 US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234648
PNG
(US9353101, 44)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(F)cc(F)c1)N1CC(F)C1)-c1ccc(cc1C)C(O)=O |r|
Show InChI InChI=1S/C32H28F3N5O5/c1-16-6-18(30(41)42)4-5-24(16)20-9-25(29(44-3)36-11-20)26-12-37-31(39-13-23(35)14-39)38-27(26)15-40-17(2)28(45-32(40)43)19-7-21(33)10-22(34)8-19/h4-12,17,23,28H,13-15H2,1-3H3,(H,41,42)/t17-,28-/m0/s1
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n/an/a 35n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234624
PNG
(US9353101, 20)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1c(C)nn(C(C)C)c1C |r|
Show InChI InChI=1S/C34H34F7N7O3/c1-16(2)48-18(4)28(17(3)45-48)21-9-25(30(50-6)42-11-21)26-12-43-31(46-13-24(35)14-46)44-27(26)15-47-19(5)29(51-32(47)49)20-7-22(33(36,37)38)10-23(8-20)34(39,40)41/h7-12,16,19,24,29H,13-15H2,1-6H3/t19-,29-/m0/s1
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n/an/a 36n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234605
PNG
(US9353101, 1)
Show SMILES COc1ncc(Cl)cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1 |r|
Show InChI InChI=1S/C26H21ClF7N5O3/c1-12-21(13-3-14(25(29,30)31)5-15(4-13)26(32,33)34)42-24(40)39(12)11-20-19(18-6-16(27)7-35-22(18)41-2)8-36-23(37-20)38-9-17(28)10-38/h3-8,12,17,21H,9-11H2,1-2H3/t12-,21-/m0/s1
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n/an/a 38n/an/an/an/a7.425



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 US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234649
PNG
(US9353101, 45)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cccc(OC(F)(F)F)c1)N1CC(F)C1)-c1ccc(cc1C)C(O)=O |r|
Show InChI InChI=1S/C33H29F4N5O6/c1-17-9-20(30(43)44)7-8-24(17)21-11-25(29(46-3)38-12-21)26-13-39-31(41-14-22(34)15-41)40-27(26)16-42-18(2)28(47-32(42)45)19-5-4-6-23(10-19)48-33(35,36)37/h4-13,18,22,28H,14-16H2,1-3H3,(H,43,44)/t18-,28-/m0/s1
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n/an/a 50n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234667
PNG
(US9353101, 63)
Show SMILES COc1ncc(cc1-c1cnc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)(F)C1)-c1c(C)cc(cc1C)C(O)=O |r|
Show InChI InChI=1S/C36H30F8N4O5/c1-17-5-21(32(49)50)6-18(2)29(17)22-9-26(31(52-4)46-12-22)27-13-45-28(47-15-34(37,38)16-47)10-23(27)14-48-19(3)30(53-33(48)51)20-7-24(35(39,40)41)11-25(8-20)36(42,43)44/h5-13,19,30H,14-16H2,1-4H3,(H,49,50)/t19-,30-/m0/s1
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n/an/a 52n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234656
PNG
(US9353101, 52)
Show SMILES C[C@H]1[C@H](OC(=O)N1Cc1nc(ncc1-c1sc(nc1C)-c1ccc(cc1C)C(O)=O)N1CC(F)(F)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C32H25F8N5O4S/c1-14-6-17(27(46)47)4-5-21(14)26-42-15(2)25(50-26)22-10-41-28(44-12-30(33,34)13-44)43-23(22)11-45-16(3)24(49-29(45)48)18-7-19(31(35,36)37)9-20(8-18)32(38,39)40/h4-10,16,24H,11-13H2,1-3H3,(H,46,47)/t16-,24-/m0/s1
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n/an/a 61n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234657
PNG
(US9353101, 53)
Show SMILES C[C@H]1[C@H](OC(=O)N1Cc1nc(ncc1-c1sc(nc1C)-c1ccc(cc1C)C(O)=O)N1CCOCC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C33H29F6N5O5S/c1-16-10-19(29(45)46)4-5-23(16)28-41-17(2)27(50-28)24-14-40-30(43-6-8-48-9-7-43)42-25(24)15-44-18(3)26(49-31(44)47)20-11-21(32(34,35)36)13-22(12-20)33(37,38)39/h4-5,10-14,18,26H,6-9,15H2,1-3H3,(H,45,46)/t18-,26-/m0/s1
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n/an/a 82n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234612
PNG
(US9353101, 8)
Show SMILES COc1ncc(CCC(O)=O)cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1 |r|
Show InChI InChI=1S/C29H26F7N5O5/c1-14-24(16-6-17(28(31,32)33)8-18(7-16)29(34,35)36)46-27(44)41(14)13-22-21(10-38-26(39-22)40-11-19(30)12-40)20-5-15(3-4-23(42)43)9-37-25(20)45-2/h5-10,14,19,24H,3-4,11-13H2,1-2H3,(H,42,43)/t14-,24-/m0/s1
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n/an/a 92n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234647
PNG
(US9353101, 43)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-n1ccnc1)-c1ccc(cc1C)C(O)=O |r|
Show InChI InChI=1S/C34H26F6N6O5/c1-17-8-19(30(47)48)4-5-24(17)21-11-25(29(50-3)42-13-21)26-14-43-31(45-7-6-41-16-45)44-27(26)15-46-18(2)28(51-32(46)49)20-9-22(33(35,36)37)12-23(10-20)34(38,39)40/h4-14,16,18,28H,15H2,1-3H3,(H,47,48)/t18-,28-/m0/s1
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n/an/a 109n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234608
PNG
(US9353101, 4)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C30H26F7N7O3/c1-15-25(16-4-19(29(32,33)34)7-20(5-16)30(35,36)37)47-28(45)44(15)14-24-23(10-39-27(41-24)43-12-21(31)13-43)22-6-17(8-38-26(22)46-3)18-9-40-42(2)11-18/h4-11,15,21,25H,12-14H2,1-3H3/t15-,25-/m0/s1
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n/an/a 137n/an/an/an/a7.425



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 US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234654
PNG
(US9353101, 50)
Show SMILES C[C@H]1[C@H](OC(=O)N1Cc1nc(ncc1-c1sc(nc1C(C)(C)C)-c1ccc(cc1C)C(O)=O)N1CC(F)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C35H32F7N5O4S/c1-16-8-18(30(48)49)6-7-23(16)29-45-28(33(3,4)5)27(52-29)24-12-43-31(46-13-22(36)14-46)44-25(24)15-47-17(2)26(51-32(47)50)19-9-20(34(37,38)39)11-21(10-19)35(40,41)42/h6-12,17,22,26H,13-15H2,1-5H3,(H,48,49)/t17-,26-/m0/s1
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n/an/a 197n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234619
PNG
(US9353101, 15)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)C(C)C |r|
Show InChI InChI=1S/C30H31F6N5O4/c1-16(2)19-11-22(26(43-4)37-13-19)23-14-38-27(40-5-7-44-8-6-40)39-24(23)15-41-17(3)25(45-28(41)42)18-9-20(29(31,32)33)12-21(10-18)30(34,35)36/h9-14,16-17,25H,5-8,15H2,1-4H3/t17-,25-/m0/s1
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n/an/a 229n/an/an/an/a7.425



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 US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234668
PNG
(US9353101, 64)
Show SMILES C[C@H]1[C@H](OC(=O)N1Cc1nc(ncc1-c1c(C)noc1C)N1CCC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,wU:2.28,1.0,(2.48,.16,;1.14,-.61,;.67,-2.07,;-.87,-2.07,;-1.35,-.61,;-2.68,.16,;-.1,.3,;-.1,1.84,;-1.44,2.61,;-2.77,1.84,;-4.1,2.61,;-4.1,4.15,;-2.77,4.92,;-1.44,4.15,;-.1,4.92,;-.1,6.46,;-1.44,7.23,;1.36,6.93,;2.27,5.69,;1.36,4.44,;2.13,3.11,;-5.44,1.84,;-6.91,2.23,;-7.31,.75,;-5.82,.35,;1.76,-3.16,;3.24,-2.76,;4.43,-3.86,;3.93,-5.34,;2.45,-5.74,;1.36,-4.65,;2.05,-7.23,;.56,-7.62,;1.65,-8.71,;3.38,-8,;5.92,-3.48,;7.41,-3.1,;6.3,-4.97,;5.54,-1.99,)|
Show InChI InChI=1S/C25H23F6N5O3/c1-12-20(14(3)39-34-12)18-10-32-22(35-5-4-6-35)33-19(18)11-36-13(2)21(38-23(36)37)15-7-16(24(26,27)28)9-17(8-15)25(29,30)31/h7-10,13,21H,4-6,11H2,1-3H3/t13-,21-/m0/s1
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n/an/a 271n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234628
PNG
(US9353101, 24)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(O)C1)-c1c(C)n[nH]c1C |r|
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n/an/a 332n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234633
PNG
(US9353101, 29)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1[C@H](C)CC[C@H]1C)C(C)C |r|
Show InChI InChI=1S/C32H35F6N5O3/c1-16(2)21-11-24(28(45-6)39-13-21)25-14-40-29(43-17(3)7-8-18(43)4)41-26(25)15-42-19(5)27(46-30(42)44)20-9-22(31(33,34)35)12-23(10-20)32(36,37)38/h9-14,16-19,27H,7-8,15H2,1-6H3/t17-,18-,19+,27+/m1/s1
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n/an/a 430n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234616
PNG
(US9353101, 12)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)C1CC1 |r|
Show InChI InChI=1S/C30H29F6N5O4/c1-16-25(18-9-20(29(31,32)33)12-21(10-18)30(34,35)36)45-28(42)41(16)15-24-23(14-38-27(39-24)40-5-7-44-8-6-40)22-11-19(17-3-4-17)13-37-26(22)43-2/h9-14,16-17,25H,3-8,15H2,1-2H3/t16-,25-/m0/s1
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n/an/a 530n/an/an/an/a7.425



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 US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234615
PNG
(US9353101, 11)
Show SMILES COc1ncc(Cl)cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1 |r|
Show InChI InChI=1S/C27H24ClF6N5O4/c1-14-22(15-7-16(26(29,30)31)9-17(8-15)27(32,33)34)43-25(40)39(14)13-21-20(19-10-18(28)11-35-23(19)41-2)12-36-24(37-21)38-3-5-42-6-4-38/h7-12,14,22H,3-6,13H2,1-2H3/t14-,22-/m0/s1
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n/an/a 671n/an/an/an/a7.425



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 US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234617
PNG
(US9353101, 13)
Show SMILES COc1ncc(Cl)cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(F)cc(F)c1)N1CC(F)C1 |r|
Show InChI InChI=1S/C24H21ClF3N5O3/c1-12-21(13-3-15(26)6-16(27)4-13)36-24(34)33(12)11-20-19(18-5-14(25)7-29-22(18)35-2)8-30-23(31-20)32-9-17(28)10-32/h3-8,12,17,21H,9-11H2,1-2H3/t12-,21-/m0/s1
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n/an/a 728n/an/an/an/a7.425



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 US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM234653
PNG
(US9353101, 49)
Show SMILES C[C@H]1[C@H](OC(=O)N1Cc1nc(ncc1-c1sc(nc1C(C)(C)C)-c1ccc(cc1C)C(O)=O)N1CC(F)(F)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C35H31F8N5O4S/c1-16-8-18(29(49)50)6-7-22(16)28-46-27(32(3,4)5)26(53-28)23-12-44-30(47-14-33(36,37)15-47)45-24(23)13-48-17(2)25(52-31(48)51)19-9-20(34(38,39)40)11-21(10-19)35(41,42)43/h6-12,17,25H,13-15H2,1-5H3,(H,49,50)/t17-,25-/m0/s1
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n/an/a 800n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...

US Patent US9353101 (2016)


BindingDB Entry DOI: 10.7270/Q2765D7V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%