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Patent code US9126976

Compile Data Set for Download or QSAR
Found 41 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))
BDBM179498
PNG
(US9126976, 29)
Show SMILES O[C@H](CN1[C@@H](CN(Cc2cc(F)cc(c2)C(F)(F)F)c2ccccc12)c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H21F7N2O/c26-19-11-16(10-18(12-19)24(27,28)29)13-33-14-22(17-6-2-1-3-7-17)34(15-23(35)25(30,31)32)21-9-5-4-8-20(21)33/h1-12,22-23,35H,13-15H2/t22-,23+/m0/s1
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US Patent
n/an/a 105n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/a 12n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(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 |r,c:8|
Show InChI InChI=1S/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-/m1/s1
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US Patent
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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179527
PNG
(US9126976, 58)
Show SMILES O[C@H](CN1C(CN(Cc2cccc(OC(F)(F)F)c2)c2cc(F)ccc12)c1cccc(OC(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H21F9N2O3/c27-17-7-8-20-21(11-17)36(12-15-3-1-6-19(9-15)40-26(33,34)35)13-22(37(20)14-23(38)25(30,31)32)16-4-2-5-18(10-16)39-24(28)29/h1-11,22-24,38H,12-14H2/t22?,23-/m1/s1
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n/an/a 16n/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)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179529
PNG
(US9126976, 60)
Show SMILES O[C@H](CN1C(CN(Cc2cccc(OC(F)F)c2)c2ccccc12)c1cccc(OC(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H23F7N2O3/c27-24(28)37-18-7-3-5-16(11-18)13-34-14-22(17-6-4-8-19(12-17)38-25(29)30)35(15-23(36)26(31,32)33)21-10-2-1-9-20(21)34/h1-12,22-25,36H,13-15H2/t22?,23-/m1/s1
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n/an/a 14n/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)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179533
PNG
(US9126976, 64)
Show SMILES O[C@H](CN1[C@@H](CN(Cc2cccc(OC(F)F)c2)c2ccccc12)c1cccc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C26H22F8N2O2/c27-24(28)38-19-8-3-5-16(11-19)13-35-14-22(17-6-4-7-18(12-17)25(29,30)31)36(15-23(37)26(32,33)34)21-10-2-1-9-20(21)35/h1-12,22-24,37H,13-15H2/t22-,23+/m0/s1
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n/an/a 16n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(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 |r,t:8|
Show InChI InChI=1S/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+/m0/s1
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US Patent
n/an/a 8n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179536
PNG
(US9126976, 67)
Show SMILES O[C@H](CN1[C@@H](CN(CC2CCOCC2)c2ccccc12)c1cccc(OC(F)(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H26F6N2O3/c25-23(26,27)22(33)15-32-20-7-2-1-6-19(20)31(13-16-8-10-34-11-9-16)14-21(32)17-4-3-5-18(12-17)35-24(28,29)30/h1-7,12,16,21-22,33H,8-11,13-15H2/t21-,22+/m0/s1
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n/an/a 29n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179499
PNG
(US9126976, 30)
Show SMILES O[C@H](CN1[C@@H](CN(Cc2cccc(Cl)c2)c2ccccc12)c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H22ClF3N2O/c25-19-10-6-7-17(13-19)14-29-15-22(18-8-2-1-3-9-18)30(16-23(31)24(26,27)28)21-12-5-4-11-20(21)29/h1-13,22-23,31H,14-16H2/t22-,23+/m0/s1
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n/an/a 1.40E+3n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179506
PNG
(US9126976, 37)
Show SMILES O[C@H](CN1[C@@H](CN(CC2CCCCC2)c2ccccc12)c1cccc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C25H28F6N2O/c26-24(27,28)19-10-6-9-18(13-19)22-15-32(14-17-7-2-1-3-8-17)20-11-4-5-12-21(20)33(22)16-23(34)25(29,30)31/h4-6,9-13,17,22-23,34H,1-3,7-8,14-16H2/t22-,23+/m0/s1
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n/an/a 1.27E+3n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179516
PNG
(US9126976, 47)
Show SMILES COc1cccc(CN2C[C@H](N(C[C@@H](O)C(F)(F)F)c3ccccc23)c2cccc(c2)C(F)(F)F)n1 |r|
Show InChI InChI=1S/C25H23F6N3O2/c1-36-23-11-5-8-18(32-23)13-33-14-21(16-6-4-7-17(12-16)24(26,27)28)34(15-22(35)25(29,30)31)20-10-3-2-9-19(20)33/h2-12,21-22,35H,13-15H2,1H3/t21-,22+/m0/s1
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n/an/a 630n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179522
PNG
(US9126976, 53)
Show SMILES Cc1ccc(cc1)[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2)c2ccccc2N1C[C@@H](O)C(F)(F)F |r|
Show InChI InChI=1S/C26H24F6N2O2/c1-17-9-11-19(12-10-17)23-15-33(14-18-5-4-6-20(13-18)36-26(30,31)32)21-7-2-3-8-22(21)34(23)16-24(35)25(27,28)29/h2-13,23-24,35H,14-16H2,1H3/t23-,24+/m0/s1
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n/an/a 56n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179523
PNG
(US9126976, 54)
Show SMILES COc1ccc(cc1)[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2)c2ccccc2N1C[C@@H](O)C(F)(F)F |r|
Show InChI InChI=1S/C26H24F6N2O3/c1-36-19-11-9-18(10-12-19)23-15-33(14-17-5-4-6-20(13-17)37-26(30,31)32)21-7-2-3-8-22(21)34(23)16-24(35)25(27,28)29/h2-13,23-24,35H,14-16H2,1H3/t23-,24+/m0/s1
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n/an/a 69n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179502
PNG
(US9126976, 33)
Show SMILES Cc1ccccc1CN1C[C@H](N(C[C@@H](O)C(F)(F)F)c2ccccc12)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H24F6N2O/c1-17-7-2-3-8-19(17)14-33-15-23(18-9-6-10-20(13-18)25(27,28)29)34(16-24(35)26(30,31)32)22-12-5-4-11-21(22)33/h2-13,23-24,35H,14-16H2,1H3/t23-,24+/m0/s1
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n/an/a 428n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179510
PNG
(US9126976, 41)
Show SMILES O[C@H](CN1[C@@H](CN(Cc2cc(F)cc(c2)C(F)(F)F)c2ccccc12)c1cccc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C26H20F10N2O/c27-19-9-15(8-18(11-19)25(31,32)33)12-37-13-22(16-4-3-5-17(10-16)24(28,29)30)38(14-23(39)26(34,35)36)21-7-2-1-6-20(21)37/h1-11,22-23,39H,12-14H2/t22-,23+/m0/s1
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US Patent
n/an/a 45.2n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179512
PNG
(US9126976, 43)
Show SMILES Cc1ccc(cc1CN1C[C@H](N(C[C@@H](O)C(F)(F)F)c2ccccc12)c1cccc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C27H23F9N2O/c1-16-9-10-20(26(31,32)33)12-18(16)13-37-14-23(17-5-4-6-19(11-17)25(28,29)30)38(15-24(39)27(34,35)36)22-8-3-2-7-21(22)37/h2-12,23-24,39H,13-15H2,1H3/t23-,24+/m0/s1
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n/an/a 270n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179514
PNG
(US9126976, 45)
Show SMILES CC(C)Oc1cccc(CN2C[C@H](N(C[C@@H](O)C(F)(F)F)c3ccccc23)c2cccc(c2)C(F)(F)F)n1 |r|
Show InChI InChI=1S/C27H27F6N3O2/c1-17(2)38-25-12-6-9-20(34-25)14-35-15-23(18-7-5-8-19(13-18)26(28,29)30)36(16-24(37)27(31,32)33)22-11-4-3-10-21(22)35/h3-13,17,23-24,37H,14-16H2,1-2H3/t23-,24+/m0/s1
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n/an/a 750n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179518
PNG
(US9126976, 49)
Show SMILES O[C@H](CN1[C@@H](CN(Cc2cccc(OC(F)(F)F)c2)c2ccccc12)c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H21ClF6N2O2/c26-18-10-8-17(9-11-18)22-14-33(13-16-4-3-5-19(12-16)36-25(30,31)32)20-6-1-2-7-21(20)34(22)15-23(35)24(27,28)29/h1-12,22-23,35H,13-15H2/t22-,23+/m0/s1
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n/an/a 20n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179528
PNG
(US9126976, 59)
Show SMILES CC(C)(O)c1ccc(cc1)C1CN(Cc2cccc(OC(F)(F)F)c2)c2ccccc2N1C[C@@H](O)C(F)(F)F |r|
Show InChI InChI=1S/C28H28F6N2O3/c1-26(2,38)20-12-10-19(11-13-20)24-16-35(15-18-6-5-7-21(14-18)39-28(32,33)34)22-8-3-4-9-23(22)36(24)17-25(37)27(29,30)31/h3-14,24-25,37-38H,15-17H2,1-2H3/t24?,25-/m1/s1
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n/an/a 24n/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)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179503
PNG
(US9126976, 34)
Show SMILES O[C@H](CN1[C@@H](CN(Cc2cccc(Cl)c2Cl)c2ccccc12)c1cccc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C25H20Cl2F6N2O/c26-18-8-4-6-16(23(18)27)12-34-13-21(15-5-3-7-17(11-15)24(28,29)30)35(14-22(36)25(31,32)33)20-10-2-1-9-19(20)34/h1-11,21-22,36H,12-14H2/t21-,22+/m0/s1
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n/an/a 169n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179504
PNG
(US9126976, 35)
Show SMILES O[C@H](CN1[C@@H](CN(Cc2c(Cl)cccc2Cl)c2ccccc12)c1cccc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C25H20Cl2F6N2O/c26-18-7-4-8-19(27)17(18)12-34-13-22(15-5-3-6-16(11-15)24(28,29)30)35(14-23(36)25(31,32)33)21-10-2-1-9-20(21)34/h1-11,22-23,36H,12-14H2/t22-,23+/m0/s1
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n/an/a 1.16E+3n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179521
PNG
(US9126976, 52)
Show SMILES O[C@H](CN1[C@@H](CN(Cc2cccc(OC(F)(F)F)c2)c2ccccc12)c1ccc(F)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H21F7N2O2/c26-18-10-8-17(9-11-18)22-14-33(13-16-4-3-5-19(12-16)36-25(30,31)32)20-6-1-2-7-21(20)34(22)15-23(35)24(27,28)29/h1-12,22-23,35H,13-15H2/t22-,23+/m0/s1
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n/an/a 682n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179532
PNG
(US9126976, 63)
Show SMILES O[C@H](CN1[C@@H](CN(Cc2ncccc2N2CCOCC2)c2ccccc12)c1cccc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C28H28F6N4O2/c29-27(30,31)20-6-3-5-19(15-20)25-17-37(16-21-22(9-4-10-35-21)36-11-13-40-14-12-36)23-7-1-2-8-24(23)38(25)18-26(39)28(32,33)34/h1-10,15,25-26,39H,11-14,16-18H2/t25-,26+/m0/s1
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n/an/a 1.57E+3n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179508
PNG
(US9126976, 39)
Show SMILES O[C@H](CN1[C@@H](CN(Cc2ccc(Cl)cc2)c2ccccc12)c1cccc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C25H21ClF6N2O/c26-19-10-8-16(9-11-19)13-33-14-22(17-4-3-5-18(12-17)24(27,28)29)34(15-23(35)25(30,31)32)21-7-2-1-6-20(21)33/h1-12,22-23,35H,13-15H2/t22-,23+/m0/s1
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n/an/a 548n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179511
PNG
(US9126976, 42)
Show SMILES CCc1cc(CN2C[C@H](N(C[C@@H](O)C(F)(F)F)c3ccccc23)c2cccc(c2)C(F)(F)F)ccc1Cl |r|
Show InChI InChI=1S/C27H25ClF6N2O/c1-2-18-12-17(10-11-21(18)28)14-35-15-24(19-6-5-7-20(13-19)26(29,30)31)36(16-25(37)27(32,33)34)23-9-4-3-8-22(23)35/h3-13,24-25,37H,2,14-16H2,1H3/t24-,25+/m0/s1
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n/an/a 45.1n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179517
PNG
(US9126976, 48)
Show SMILES CCOc1cccc(CN2C[C@H](N(C[C@@H](O)C(F)(F)F)c3ccccc23)c2cccc(c2)C(F)(F)F)n1 |r|
Show InChI InChI=1S/C26H25F6N3O2/c1-2-37-24-12-6-9-19(33-24)14-34-15-22(17-7-5-8-18(13-17)25(27,28)29)35(16-23(36)26(30,31)32)21-11-4-3-10-20(21)34/h3-13,22-23,36H,2,14-16H2,1H3/t22-,23+/m0/s1
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n/an/a 310n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179519
PNG
(US9126976, 50)
Show SMILES COc1cc2ccc(cc2cc1OC)[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2)c2ccccc2N1C[C@@H](O)C(F)(F)F |r|
Show InChI InChI=1S/C31H28F6N2O4/c1-41-27-14-20-10-11-21(13-22(20)15-28(27)42-2)26-17-38(16-19-6-5-7-23(12-19)43-31(35,36)37)24-8-3-4-9-25(24)39(26)18-29(40)30(32,33)34/h3-15,26,29,40H,16-18H2,1-2H3/t26-,29+/m0/s1
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n/an/a 193n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179524
PNG
(US9126976, 55)
Show SMILES O[C@H](CN1[C@@H](CN(Cc2cccc(OC(F)(F)F)c2)c2ccccc12)c1cccc2ccccc12)C(F)(F)F |r|
Show InChI InChI=1S/C29H24F6N2O2/c30-28(31,32)27(38)18-37-25-14-4-3-13-24(25)36(16-19-7-5-10-21(15-19)39-29(33,34)35)17-26(37)23-12-6-9-20-8-1-2-11-22(20)23/h1-15,26-27,38H,16-18H2/t26-,27+/m0/s1
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n/an/a 1.43E+3n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179531
PNG
(US9126976, 62)
Show SMILES O[C@H](CN1[C@@H](CN(Cc2ccnc(c2)N2CCOCC2)c2ccccc12)c1cccc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C28H28F6N4O2/c29-27(30,31)21-5-3-4-20(15-21)24-17-37(16-19-8-9-35-26(14-19)36-10-12-40-13-11-36)22-6-1-2-7-23(22)38(24)18-25(39)28(32,33)34/h1-9,14-15,24-25,39H,10-13,16-18H2/t24-,25+/m0/s1
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n/an/a 326n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179538
PNG
(US9126976, 69)
Show SMILES O[C@H](CN1C(CN(Cc2cccc(OC(F)(F)F)c2)c2ccccc12)c1cccc(c1)-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C31H26F6N2O2/c32-30(33,34)29(40)20-39-27-15-5-4-14-26(27)38(18-21-8-6-13-25(16-21)41-31(35,36)37)19-28(39)24-12-7-11-23(17-24)22-9-2-1-3-10-22/h1-17,28-29,40H,18-20H2/t28?,29-/m1/s1
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n/an/a 163n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179507
PNG
(US9126976, 38)
Show SMILES O[C@H](CN1[C@@H](CN(Cc2ccsc2)c2ccccc12)c1cccc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C23H20F6N2OS/c24-22(25,26)17-5-3-4-16(10-17)20-12-30(11-15-8-9-33-14-15)18-6-1-2-7-19(18)31(20)13-21(32)23(27,28)29/h1-10,14,20-21,32H,11-13H2/t20-,21+/m0/s1
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n/an/a 461n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179515
PNG
(US9126976, 46)
Show SMILES COc1cccnc1CN1C[C@H](N(C[C@@H](O)C(F)(F)F)c2ccccc12)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H23F6N3O2/c1-36-22-10-5-11-32-18(22)13-33-14-21(16-6-4-7-17(12-16)24(26,27)28)34(15-23(35)25(29,30)31)20-9-3-2-8-19(20)33/h2-12,21,23,35H,13-15H2,1H3/t21-,23+/m0/s1
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n/an/a 210n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179537
PNG
(US9126976, 68)
Show SMILES O[C@H](CN1C(CN(Cc2cccc(OC(F)(F)F)c2)c2ccccc12)c1ccc(cc1)-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C31H26F6N2O2/c32-30(33,34)29(40)20-39-27-12-5-4-11-26(27)38(18-21-7-6-10-25(17-21)41-31(35,36)37)19-28(39)24-15-13-23(14-16-24)22-8-2-1-3-9-22/h1-17,28-29,40H,18-20H2/t28?,29-/m1/s1
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n/an/a 25n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(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 |r|
Show InChI InChI=1S/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+/m0/s1
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n/an/a 12n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179505
PNG
(US9126976, 36)
Show SMILES Cc1cc(CN2C[C@H](N(C[C@@H](O)C(F)(F)F)c3ccccc23)c2cccc(c2)C(F)(F)F)cc(Cl)n1 |r|
Show InChI InChI=1S/C25H22ClF6N3O/c1-15-9-16(10-23(26)33-15)12-34-13-21(17-5-4-6-18(11-17)24(27,28)29)35(14-22(36)25(30,31)32)20-8-3-2-7-19(20)34/h2-11,21-22,36H,12-14H2,1H3/t21-,22+/m0/s1
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n/an/a 67n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179509
PNG
(US9126976, 40)
Show SMILES O[C@H](CN1[C@@H](CN(Cc2cccc(c2)C(F)(F)F)c2ccccc12)c1cccc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C26H21F9N2O/c27-24(28,29)18-7-3-5-16(11-18)13-36-14-22(17-6-4-8-19(12-17)25(30,31)32)37(15-23(38)26(33,34)35)21-10-2-1-9-20(21)36/h1-12,22-23,38H,13-15H2/t22-,23+/m0/s1
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n/an/a 57.1n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179534
PNG
(US9126976, 65)
Show SMILES O[C@H](CN1C(CN(Cc2cccc(OC(F)(F)F)c2)c2ccc(F)c(F)c12)c1cccc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C26H19F11N2O2/c27-18-7-8-19-23(22(18)28)39(13-21(40)25(32,33)34)20(15-4-2-5-16(10-15)24(29,30)31)12-38(19)11-14-3-1-6-17(9-14)41-26(35,36)37/h1-10,20-21,40H,11-13H2/t20?,21-/m1/s1
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n/an/a 157n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179513
PNG
(US9126976, 44)
Show SMILES Cc1cccc(CN2C[C@H](N(C[C@@H](O)C(F)(F)F)c3ccccc23)c2cccc(c2)C(F)(F)F)n1 |r|
Show InChI InChI=1S/C25H23F6N3O/c1-16-6-4-9-19(32-16)13-33-14-22(17-7-5-8-18(12-17)24(26,27)28)34(15-23(35)25(29,30)31)21-11-3-2-10-20(21)33/h2-12,22-23,35H,13-15H2,1H3/t22-,23+/m0/s1
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n/an/a 460n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179520
PNG
(US9126976, 51)
Show SMILES O[C@H](CN1[C@@H](CN(Cc2cccc(OC(F)(F)F)c2)c2ccccc12)c1ccc2OCCOc2c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H24F6N2O4/c28-26(29,30)25(36)16-35-21-7-2-1-6-20(21)34(14-17-4-3-5-19(12-17)39-27(31,32)33)15-22(35)18-8-9-23-24(13-18)38-11-10-37-23/h1-9,12-13,22,25,36H,10-11,14-16H2/t22-,25+/m0/s1
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n/an/a 209n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM179500
PNG
(US9126976, 31)
Show SMILES O[C@H](CN1[C@@H](CN(Cc2cc(Cl)cc(Cl)c2)c2ccccc12)c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H21Cl2F3N2O/c25-18-10-16(11-19(26)12-18)13-30-14-22(17-6-2-1-3-7-17)31(15-23(32)24(27,28)29)21-9-5-4-8-20(21)30/h1-12,22-23,32H,13-15H2/t22-,23+/m0/s1
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n/an/a 2.76E+3n/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 US9126976 (2015)


BindingDB Entry DOI: 10.7270/Q25B018M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%