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Patent code US9102599

Compile Data Set for Download or QSAR
Found 15 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))		BDBM173867
PNG
(US9102599, 50)
Show SMILES Cc1ccc(CC(CNC[C@@H](O)C(F)(F)F)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)cc1 |r|
Show InChI InChI=1S/C27H24F9NO3/c1-17-8-10-18(11-9-17)14-24(16-37-15-23(38)25(28,29)30,19-4-2-6-21(12-19)39-26(31,32)33)20-5-3-7-22(13-20)40-27(34,35)36/h2-13,23,37-38H,14-16H2,1H3/t23-/m1/s1
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n/an/a 9n/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


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

US Patent US9102599 (2015)


BindingDB Entry DOI: 10.7270/Q2V986TR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM173858
PNG
(US9102599, 2)
Show SMILES O[C@H](CNCC(Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C25H21ClF8N2O2/c26-17-6-7-20(36-12-17)23(11-15-4-2-1-3-5-15,14-35-13-21(37)24(30,31)32)16-8-18(27)10-19(9-16)38-25(33,34)22(28)29/h1-10,12,21-22,35,37H,11,13-14H2/t21-,23?/m1/s1
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n/an/a 9n/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


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

US Patent US9102599 (2015)


BindingDB Entry DOI: 10.7270/Q2V986TR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM173866
PNG
(US9102599, 47)
Show SMILES O[C@H](CNCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H22F9NO3/c27-24(28,29)22(37)15-36-16-23(14-17-6-2-1-3-7-17,18-8-4-10-20(12-18)38-25(30,31)32)19-9-5-11-21(13-19)39-26(33,34)35/h1-13,22,36-37H,14-16H2/t22-/m1/s1
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n/an/a 14n/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


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

US Patent US9102599 (2015)


BindingDB Entry DOI: 10.7270/Q2V986TR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM173864
PNG
(US9102599, 44)
Show SMILES O[C@H](CNCC(Cc1ccccn1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H21F9N2O3/c26-23(27,28)21(37)14-35-15-22(13-18-7-1-2-10-36-18,16-5-3-8-19(11-16)38-24(29,30)31)17-6-4-9-20(12-17)39-25(32,33)34/h1-12,21,35,37H,13-15H2/t21-/m1/s1
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n/an/a 19n/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


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

US Patent US9102599 (2015)


BindingDB Entry DOI: 10.7270/Q2V986TR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM173868
PNG
(US9102599, 53)
Show SMILES FC(F)(F)CCNCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C26H22F9NO2/c27-24(28,29)12-13-36-17-23(16-18-6-2-1-3-7-18,19-8-4-10-21(14-19)37-25(30,31)32)20-9-5-11-22(15-20)38-26(33,34)35/h1-11,14-15,36H,12-13,16-17H2
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n/an/a 25n/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


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

US Patent US9102599 (2015)


BindingDB Entry DOI: 10.7270/Q2V986TR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM173860
PNG
(US9102599, 6)
Show SMILES O[C@H](CNCC(Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(F)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H20F8N2O/c25-18-6-7-20(34-12-18)22(11-15-4-2-1-3-5-15,14-33-13-21(35)24(30,31)32)16-8-17(23(27,28)29)10-19(26)9-16/h1-10,12,21,33,35H,11,13-14H2/t21-,22?/m1/s1
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n/an/a 30n/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


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

US Patent US9102599 (2015)


BindingDB Entry DOI: 10.7270/Q2V986TR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM173871
PNG
(US9102599, 122)
Show SMILES FC(F)(F)CS(=O)(=O)NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C25H20F9NO4S/c26-23(27,28)16-40(36,37)35-15-22(14-17-6-2-1-3-7-17,18-8-4-10-20(12-18)38-24(29,30)31)19-9-5-11-21(13-19)39-25(32,33)34/h1-13,35H,14-16H2
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n/an/a 129n/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


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

US Patent US9102599 (2015)


BindingDB Entry DOI: 10.7270/Q2V986TR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM173862
PNG
(US9102599, 27)
Show SMILES FC(F)(F)CNC(=O)NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C26H21F9N2O3/c27-24(28,29)16-37-22(38)36-15-23(14-17-6-2-1-3-7-17,18-8-4-10-20(12-18)39-25(30,31)32)19-9-5-11-21(13-19)40-26(33,34)35/h1-13H,14-16H2,(H2,36,37,38)
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n/an/a 132n/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


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

US Patent US9102599 (2015)


BindingDB Entry DOI: 10.7270/Q2V986TR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM173863
PNG
(US9102599, 43)
Show SMILES Cc1cc(CC(CNC[C@H](O)C(F)(F)F)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)no1 |r|
Show InChI InChI=1S/C24H21F9N2O4/c1-14-8-17(35-39-14)11-21(13-34-12-20(36)22(25,26)27,15-4-2-6-18(9-15)37-23(28,29)30)16-5-3-7-19(10-16)38-24(31,32)33/h2-10,20,34,36H,11-13H2,1H3/t20-/m0/s1
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n/an/a 134n/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


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

US Patent US9102599 (2015)


BindingDB Entry DOI: 10.7270/Q2V986TR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM173869
PNG
(US9102599, 94)
Show SMILES Oc1c(F)cccc1CNCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C30H24F7NO3/c31-26-14-4-9-21(27(26)39)18-38-19-28(17-20-7-2-1-3-8-20,22-10-5-12-24(15-22)40-29(32,33)34)23-11-6-13-25(16-23)41-30(35,36)37/h1-16,38-39H,17-19H2
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n/an/a 184n/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


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

US Patent US9102599 (2015)


BindingDB Entry DOI: 10.7270/Q2V986TR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM173870
PNG
(US9102599, 112)
Show SMILES FC(F)(F)Oc1cccc(c1)C(CNc1ncc(cn1)N1CCOCC1)(Cc1ccccc1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C31H28F6N4O3/c32-30(33,34)43-26-10-4-8-23(16-26)29(18-22-6-2-1-3-7-22,24-9-5-11-27(17-24)44-31(35,36)37)21-40-28-38-19-25(20-39-28)41-12-14-42-15-13-41/h1-11,16-17,19-20H,12-15,18,21H2,(H,38,39,40)
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n/an/a 248n/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


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

US Patent US9102599 (2015)


BindingDB Entry DOI: 10.7270/Q2V986TR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM173872
PNG
(US9102599, 133)
Show SMILES CC(C)OC(=O)CCNCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C29H29F6NO4/c1-20(2)38-26(37)14-15-36-19-27(18-21-8-4-3-5-9-21,22-10-6-12-24(16-22)39-28(30,31)32)23-11-7-13-25(17-23)40-29(33,34)35/h3-13,16-17,20,36H,14-15,18-19H2,1-2H3
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n/an/a 1.09E+3n/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


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

US Patent US9102599 (2015)


BindingDB Entry DOI: 10.7270/Q2V986TR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM173861
PNG
(US9102599, 11)
Show SMILES FC(F)(F)Oc1cccc(c1)C(CNC(=O)C1CC1(F)F)(Cc1ccccc1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C27H21F8NO3/c28-25(29)15-22(25)23(37)36-16-24(14-17-6-2-1-3-7-17,18-8-4-10-20(12-18)38-26(30,31)32)19-9-5-11-21(13-19)39-27(33,34)35/h1-13,22H,14-16H2,(H,36,37)
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n/an/a 1.43E+3n/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


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

US Patent US9102599 (2015)


BindingDB Entry DOI: 10.7270/Q2V986TR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM173865
PNG
(US9102599, 45)
Show SMILES O[C@@H](CN(C[C@H](O)C(F)(F)F)CC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C29H25F12NO4/c30-26(31,32)23(43)15-42(16-24(44)27(33,34)35)17-25(14-18-6-2-1-3-7-18,19-8-4-10-21(12-19)45-28(36,37)38)20-9-5-11-22(13-20)46-29(39,40)41/h1-13,23-24,43-44H,14-17H2/t23-,24?/m0/s1
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n/an/a 2.81E+3n/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


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

US Patent US9102599 (2015)


BindingDB Entry DOI: 10.7270/Q2V986TR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM173859
PNG
(US9102599, 5)
Show SMILES O[C@](C(=O)NCC(Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(F)cn1)(c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C30H22F8N2O2/c31-23-11-12-25(39-17-23)27(16-19-7-3-1-4-8-19,21-13-22(29(33,34)35)15-24(32)14-21)18-40-26(41)28(42,30(36,37)38)20-9-5-2-6-10-20/h1-15,17,42H,16,18H2,(H,40,41)/t27?,28-/m0/s1
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n/an/a 4.36E+3n/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


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

US Patent US9102599 (2015)


BindingDB Entry DOI: 10.7270/Q2V986TR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%