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Patent code US9187450

Compile Data Set for Download or QSAR
Found 56 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))		BDBM192306
PNG
(US9187450, 52)
Show SMILES CC(C)S(=O)(=O)N(C)Cc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C39H49F6N5O3S/c1-23(2)54(52,53)49(5)22-24-20-46-36(47-21-24)50-16-12-27(13-17-50)35-33(34(40)26-6-8-28(9-7-26)39(43,44)45)31(25-10-14-38(41,42)15-11-25)32-29(48-35)18-37(3,4)19-30(32)51/h6-9,20-21,23,25,27,30,34,51H,10-19,22H2,1-5H3/t30-,34-/m0/s1
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n/an/a 6n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192305
PNG
(US9187450, 51)
Show SMILES CN(Cc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F)S(C)(=O)=O |r|
Show InChI InChI=1S/C37H45F6N5O3S/c1-35(2)17-27-30(28(49)18-35)29(23-9-13-36(39,40)14-10-23)31(32(38)24-5-7-26(8-6-24)37(41,42)43)33(46-27)25-11-15-48(16-12-25)34-44-19-22(20-45-34)21-47(3)52(4,50)51/h5-8,19-20,23,25,28,32,49H,9-18,21H2,1-4H3/t28-,32-/m0/s1
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n/an/a 6n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192303
PNG
(US9187450, 49 | US9321747, 2)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(OCC(CO)CO)cn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C38H46F6N4O4/c1-36(2)15-28-31(29(51)16-36)30(23-7-11-37(40,41)12-8-23)32(33(39)24-3-5-26(6-4-24)38(42,43)44)34(47-28)25-9-13-48(14-10-25)35-45-17-27(18-46-35)52-21-22(19-49)20-50/h3-6,17-18,22-23,25,29,33,49-51H,7-16,19-21H2,1-2H3/t29-,33-/m0/s1
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n/an/a 8n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192295
PNG
(US9187450, 43 | US9321747, 12)
Show SMILES CC(C)(O)CCOc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C39H48F6N4O3/c1-36(2)19-28-31(29(50)20-36)30(23-9-13-38(41,42)14-10-23)32(33(40)24-5-7-26(8-6-24)39(43,44)45)34(48-28)25-11-16-49(17-12-25)35-46-21-27(22-47-35)52-18-15-37(3,4)51/h5-8,21-23,25,29,33,50-51H,9-20H2,1-4H3/t29-,33-/m0/s1
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n/an/a 9n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192289
PNG
(US9187450, 38)
Show SMILES CN1CCC(CC1)Oc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C40H49F6N5O2/c1-38(2)20-30-33(31(52)21-38)32(24-8-14-39(42,43)15-9-24)34(35(41)25-4-6-27(7-5-25)40(44,45)46)36(49-30)26-10-18-51(19-11-26)37-47-22-29(23-48-37)53-28-12-16-50(3)17-13-28/h4-7,22-24,26,28,31,35,52H,8-21H2,1-3H3/t31-,35-/m0/s1
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n/an/a 10n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192292
PNG
(US9187450, 40 | US9321747, 16)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(OC[C@H](O)CO)cn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C37H44F6N4O4/c1-35(2)15-27-30(28(50)16-35)29(21-7-11-36(39,40)12-8-21)31(32(38)22-3-5-24(6-4-22)37(41,42)43)33(46-27)23-9-13-47(14-10-23)34-44-17-26(18-45-34)51-20-25(49)19-48/h3-6,17-18,21,23,25,28,32,48-50H,7-16,19-20H2,1-2H3/t25-,28+,32+/m1/s1
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n/an/a 11n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192298
PNG
(US9187450, 45 | US9321747, 19)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(OCCCS(C)(=O)=O)cn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C38H46F6N4O4S/c1-36(2)19-28-31(29(49)20-36)30(23-9-13-37(40,41)14-10-23)32(33(39)24-5-7-26(8-6-24)38(42,43)44)34(47-28)25-11-15-48(16-12-25)35-45-21-27(22-46-35)52-17-4-18-53(3,50)51/h5-8,21-23,25,29,33,49H,4,9-20H2,1-3H3/t29-,33-/m0/s1
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n/an/a 13n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192304
PNG
(US9187450, 50 | US9321747, 5)
Show SMILES CC(CO)(CO)COc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C39H48F6N4O4/c1-36(2)16-28-31(29(52)17-36)30(23-8-12-38(41,42)13-9-23)32(33(40)24-4-6-26(7-5-24)39(43,44)45)34(48-28)25-10-14-49(15-11-25)35-46-18-27(19-47-35)53-22-37(3,20-50)21-51/h4-7,18-19,23,25,29,33,50-52H,8-17,20-22H2,1-3H3/t29-,33-/m0/s1
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n/an/a 13n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192299
PNG
(US9187450, 46)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(OCCCO)cn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C37H44F6N4O3/c1-35(2)18-27-30(28(49)19-35)29(22-8-12-36(39,40)13-9-22)31(32(38)23-4-6-25(7-5-23)37(41,42)43)33(46-27)24-10-14-47(15-11-24)34-44-20-26(21-45-34)50-17-3-16-48/h4-7,20-22,24,28,32,48-49H,3,8-19H2,1-2H3/t28-,32-/m0/s1
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n/an/a 16n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192293
PNG
(US9187450, 41)
Show SMILES CN1CCC(C1)Oc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C39H47F6N5O2/c1-37(2)18-29-32(30(51)19-37)31(23-8-13-38(41,42)14-9-23)33(34(40)24-4-6-26(7-5-24)39(43,44)45)35(48-29)25-10-16-50(17-11-25)36-46-20-28(21-47-36)52-27-12-15-49(3)22-27/h4-7,20-21,23,25,27,30,34,51H,8-19,22H2,1-3H3/t27?,30-,34-/m0/s1
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n/an/a 16n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192254
PNG
(US9187450, 8)
Show SMILES CN1CCN(CC1)c1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C39H48F6N6O/c1-37(2)20-29-32(30(52)21-37)31(24-8-12-38(41,42)13-9-24)33(34(40)25-4-6-27(7-5-25)39(43,44)45)35(48-29)26-10-14-51(15-11-26)36-46-22-28(23-47-36)50-18-16-49(3)17-19-50/h4-7,22-24,26,30,34,52H,8-21H2,1-3H3/t30-,34-/m0/s1
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n/an/a 19n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192281
PNG
(US9187450, 32)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(cn1)C(=O)N1CCOCC1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C39H45F6N5O3/c1-37(2)19-28-31(29(51)20-37)30(23-7-11-38(41,42)12-8-23)32(33(40)24-3-5-27(6-4-24)39(43,44)45)34(48-28)25-9-13-50(14-10-25)36-46-21-26(22-47-36)35(52)49-15-17-53-18-16-49/h3-6,21-23,25,29,33,51H,7-20H2,1-2H3/t29-,33-/m0/s1
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n/an/a 19n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192274
PNG
(US9187450, 25)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(CCCCC(O)=O)cn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C39H46F6N4O3/c1-37(2)19-28-32(29(50)20-37)31(24-11-15-38(41,42)16-12-24)33(34(40)25-7-9-27(10-8-25)39(43,44)45)35(48-28)26-13-17-49(18-14-26)36-46-21-23(22-47-36)5-3-4-6-30(51)52/h7-10,21-22,24,26,29,34,50H,3-6,11-20H2,1-2H3,(H,51,52)/t29-,34-/m0/s1
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n/an/a 19n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192296
PNG
(US9187450, 44)
Show SMILES CC(C)(O)COc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C38H46F6N4O3/c1-35(2)17-27-30(28(49)18-35)29(22-9-13-37(40,41)14-10-22)31(32(39)23-5-7-25(8-6-23)38(42,43)44)33(47-27)24-11-15-48(16-12-24)34-45-19-26(20-46-34)51-21-36(3,4)50/h5-8,19-20,22,24,28,32,49-50H,9-18,21H2,1-4H3/t28-,32-/m0/s1
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n/an/a 21n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192294
PNG
(US9187450, 42)
Show SMILES C[C@@H](O)COc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C37H44F6N4O3/c1-21(48)20-50-26-18-44-34(45-19-26)47-14-10-24(11-15-47)33-31(32(38)23-4-6-25(7-5-23)37(41,42)43)29(22-8-12-36(39,40)13-9-22)30-27(46-33)16-35(2,3)17-28(30)49/h4-7,18-19,21-22,24,28,32,48-49H,8-17,20H2,1-3H3/t21-,28+,32+/m1/s1
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n/an/a 22n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192287
PNG
(US9187450, 37)
Show SMILES C[C@H](O)COc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C37H44F6N4O3/c1-21(48)20-50-26-18-44-34(45-19-26)47-14-10-24(11-15-47)33-31(32(38)23-4-6-25(7-5-23)37(41,42)43)29(22-8-12-36(39,40)13-9-22)30-27(46-33)16-35(2,3)17-28(30)49/h4-7,18-19,21-22,24,28,32,48-49H,8-17,20H2,1-3H3/t21-,28-,32-/m0/s1
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n/an/a 25n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192312
PNG
(US9187450, 56)
Show SMILES CN(CCO)c1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C37H45F6N5O2/c1-35(2)18-27-30(28(50)19-35)29(22-8-12-36(39,40)13-9-22)31(32(38)23-4-6-25(7-5-23)37(41,42)43)33(46-27)24-10-14-48(15-11-24)34-44-20-26(21-45-34)47(3)16-17-49/h4-7,20-22,24,28,32,49-50H,8-19H2,1-3H3/t28-,32-/m0/s1
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n/an/a 28n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192280
PNG
(US9187450, 31)
Show SMILES CN(C)C(=O)c1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C37H43F6N5O2/c1-35(2)17-26-29(27(49)18-35)28(21-9-13-36(39,40)14-10-21)30(31(38)22-5-7-25(8-6-22)37(41,42)43)32(46-26)23-11-15-48(16-12-23)34-44-19-24(20-45-34)33(50)47(3)4/h5-8,19-21,23,27,31,49H,9-18H2,1-4H3/t27-,31-/m0/s1
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n/an/a 29n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192301
PNG
(US9187450, 47)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(OCCC(F)(F)F)cn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C37H41F9N4O2/c1-34(2)17-26-29(27(51)18-34)28(21-7-11-35(39,40)12-8-21)30(31(38)22-3-5-24(6-4-22)37(44,45)46)32(49-26)23-9-14-50(15-10-23)33-47-19-25(20-48-33)52-16-13-36(41,42)43/h3-6,19-21,23,27,31,51H,7-18H2,1-2H3/t27-,31-/m0/s1
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n/an/a 31n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192308
PNG
(US9187450, 54)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(cn1)S(C)(=O)=O)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C35H40F6N4O3S/c1-33(2)16-25-28(26(46)17-33)27(20-8-12-34(37,38)13-9-20)29(30(36)21-4-6-23(7-5-21)35(39,40)41)31(44-25)22-10-14-45(15-11-22)32-42-18-24(19-43-32)49(3,47)48/h4-7,18-20,22,26,30,46H,8-17H2,1-3H3/t26-,30-/m0/s1
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n/an/a 32n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192290
PNG
(US9187450, 39 | US9321747, 14)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(OC[C@@H](O)CO)cn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C37H44F6N4O4/c1-35(2)15-27-30(28(50)16-35)29(21-7-11-36(39,40)12-8-21)31(32(38)22-3-5-24(6-4-22)37(41,42)43)33(46-27)23-9-13-47(14-10-23)34-44-17-26(18-45-34)51-20-25(49)19-48/h3-6,17-18,21,23,25,28,32,48-50H,7-16,19-20H2,1-2H3/t25-,28-,32-/m0/s1
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n/an/a 32n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192279
PNG
(US9187450, 30)
Show SMILES CNC(=O)c1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C36H41F6N5O2/c1-34(2)16-25-28(26(48)17-34)27(20-8-12-35(38,39)13-9-20)29(30(37)21-4-6-24(7-5-21)36(40,41)42)31(46-25)22-10-14-47(15-11-22)33-44-18-23(19-45-33)32(49)43-3/h4-7,18-20,22,26,30,48H,8-17H2,1-3H3,(H,43,49)/t26-,30-/m0/s1
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n/an/a 32n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192315
PNG
(US9187450, 57)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(cn1)N1CC[C@H](O)C1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C38H45F6N5O2/c1-36(2)17-28-31(29(51)18-36)30(22-7-12-37(40,41)13-8-22)32(33(39)23-3-5-25(6-4-23)38(42,43)44)34(47-28)24-9-14-48(15-10-24)35-45-19-26(20-46-35)49-16-11-27(50)21-49/h3-6,19-20,22,24,27,29,33,50-51H,7-18,21H2,1-2H3/t27-,29-,33-/m0/s1
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n/an/a 33n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192307
PNG
(US9187450, 53)
Show SMILES CSc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C35H40F6N4OS/c1-33(2)16-25-28(26(46)17-33)27(20-8-12-34(37,38)13-9-20)29(30(36)21-4-6-23(7-5-21)35(39,40)41)31(44-25)22-10-14-45(15-11-22)32-42-18-24(47-3)19-43-32/h4-7,18-20,22,26,30,46H,8-17H2,1-3H3/t26-,30-/m0/s1
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n/an/a 34n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192285
PNG
(US9187450, 36)
Show SMILES CN(CCO)Cc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C38H47F6N5O2/c1-36(2)18-28-31(29(51)19-36)30(24-8-12-37(40,41)13-9-24)32(33(39)25-4-6-27(7-5-25)38(42,43)44)34(47-28)26-10-14-49(15-11-26)35-45-20-23(21-46-35)22-48(3)16-17-50/h4-7,20-21,24,26,29,33,50-51H,8-19,22H2,1-3H3/t29-,33-/m0/s1
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n/an/a 35n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192261
PNG
(US9187450, 15)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(OCCO)cn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C36H42F6N4O3/c1-34(2)17-26-29(27(48)18-34)28(21-7-11-35(38,39)12-8-21)30(31(37)22-3-5-24(6-4-22)36(40,41)42)32(45-26)23-9-13-46(14-10-23)33-43-19-25(20-44-33)49-16-15-47/h3-6,19-21,23,27,31,47-48H,7-18H2,1-2H3/t27-,31-/m0/s1
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n/an/a 37n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192271
PNG
(US9187450, 23)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(OCCCCC(O)=O)cn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C39H46F6N4O4/c1-37(2)19-28-32(29(50)20-37)31(23-10-14-38(41,42)15-11-23)33(34(40)24-6-8-26(9-7-24)39(43,44)45)35(48-28)25-12-16-49(17-13-25)36-46-21-27(22-47-36)53-18-4-3-5-30(51)52/h6-9,21-23,25,29,34,50H,3-5,10-20H2,1-2H3,(H,51,52)/t29-,34-/m0/s1
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n/an/a 37n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192276
PNG
(US9187450, 27)
Show SMILES COCc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C36H42F6N4O2/c1-34(2)16-26-29(27(47)17-34)28(22-8-12-35(38,39)13-9-22)30(31(37)23-4-6-25(7-5-23)36(40,41)42)32(45-26)24-10-14-46(15-11-24)33-43-18-21(19-44-33)20-48-3/h4-7,18-19,22,24,27,31,47H,8-17,20H2,1-3H3/t27-,31-/m0/s1
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n/an/a 40n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192302
PNG
(US9187450, 48)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(OC(F)F)cn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C35H38F8N4O2/c1-33(2)15-24-27(25(48)16-33)26(19-7-11-34(39,40)12-8-19)28(29(36)20-3-5-22(6-4-20)35(41,42)43)30(46-24)21-9-13-47(14-10-21)32-44-17-23(18-45-32)49-31(37)38/h3-6,17-19,21,25,29,31,48H,7-16H2,1-2H3/t25-,29-/m0/s1
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n/an/a 42n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192275
PNG
(US9187450, 26)
Show SMILES CCOCc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C37H44F6N4O2/c1-4-49-21-22-19-44-34(45-20-22)47-15-11-25(12-16-47)33-31(32(38)24-5-7-26(8-6-24)37(41,42)43)29(23-9-13-36(39,40)14-10-23)30-27(46-33)17-35(2,3)18-28(30)48/h5-8,19-20,23,25,28,32,48H,4,9-18,21H2,1-3H3/t28-,32-/m0/s1
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n/an/a 45n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192257
PNG
(US9187450, 11)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(cn1)N1CCC(O)CC1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C39H47F6N5O2/c1-37(2)19-29-32(30(52)20-37)31(23-7-13-38(41,42)14-8-23)33(34(40)24-3-5-26(6-4-24)39(43,44)45)35(48-29)25-9-15-50(16-10-25)36-46-21-27(22-47-36)49-17-11-28(51)12-18-49/h3-6,21-23,25,28,30,34,51-52H,7-20H2,1-2H3/t30-,34-/m0/s1
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n/an/a 46n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192282
PNG
(US9187450, 33)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(CCCC(F)(F)F)cn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C38H43F9N4O/c1-35(2)18-27-30(28(52)19-35)29(23-9-14-36(40,41)15-10-23)31(32(39)24-5-7-26(8-6-24)38(45,46)47)33(50-27)25-11-16-51(17-12-25)34-48-20-22(21-49-34)4-3-13-37(42,43)44/h5-8,20-21,23,25,28,32,52H,3-4,9-19H2,1-2H3/t28-,32-/m0/s1
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n/an/a 48n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192256
PNG
(US9187450, 10)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(cn1)N1CCS(=O)(=O)CC1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C38H45F6N5O3S/c1-36(2)19-28-31(29(50)20-36)30(23-7-11-37(40,41)12-8-23)32(33(39)24-3-5-26(6-4-24)38(42,43)44)34(47-28)25-9-13-49(14-10-25)35-45-21-27(22-46-35)48-15-17-53(51,52)18-16-48/h3-6,21-23,25,29,33,50H,7-20H2,1-2H3/t29-,33-/m0/s1
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n/an/a 49n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192249
PNG
(US9187450, 3)
Show SMILES COc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C35H40F6N4O2/c1-33(2)16-25-28(26(46)17-33)27(20-8-12-34(37,38)13-9-20)29(30(36)21-4-6-23(7-5-21)35(39,40)41)31(44-25)22-10-14-45(15-11-22)32-42-18-24(47-3)19-43-32/h4-7,18-20,22,26,30,46H,8-17H2,1-3H3/t26-,30-/m0/s1
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n/an/a 51n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192283
PNG
(US9187450, 34)
Show SMILES CC(C)\C=C\c1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C39H46F6N4O/c1-23(2)5-6-24-21-46-36(47-22-24)49-17-13-27(14-18-49)35-33(34(40)26-7-9-28(10-8-26)39(43,44)45)31(25-11-15-38(41,42)16-12-25)32-29(48-35)19-37(3,4)20-30(32)50/h5-10,21-23,25,27,30,34,50H,11-20H2,1-4H3/b6-5+/t30-,34-/m0/s1
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n/an/a 54n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192273
PNG
(US9187450, 24)
Show SMILES CC(C)Cc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C38H46F6N4O/c1-22(2)17-23-20-45-35(46-21-23)48-15-11-26(12-16-48)34-32(33(39)25-5-7-27(8-6-25)38(42,43)44)30(24-9-13-37(40,41)14-10-24)31-28(47-34)18-36(3,4)19-29(31)49/h5-8,20-22,24,26,29,33,49H,9-19H2,1-4H3/t29-,33-/m0/s1
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n/an/a 54n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192309
PNG
(US9187450, 55 | US9321747, 21)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(cn1)-c1cccc(c1)C(O)=O)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C41H42F6N4O3/c1-39(2)19-30-33(31(52)20-39)32(23-10-14-40(43,44)15-11-23)34(35(42)24-6-8-29(9-7-24)41(45,46)47)36(50-30)25-12-16-51(17-13-25)38-48-21-28(22-49-38)26-4-3-5-27(18-26)37(53)54/h3-9,18,21-23,25,31,35,52H,10-17,19-20H2,1-2H3,(H,53,54)/t31-,35-/m0/s1
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n/an/a 59n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192278
PNG
(US9187450, 29)
Show SMILES CC(C)COCc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C39H48F6N4O2/c1-23(2)21-51-22-24-19-46-36(47-20-24)49-15-11-27(12-16-49)35-33(34(40)26-5-7-28(8-6-26)39(43,44)45)31(25-9-13-38(41,42)14-10-25)32-29(48-35)17-37(3,4)18-30(32)50/h5-8,19-20,23,25,27,30,34,50H,9-18,21-22H2,1-4H3/t30-,34-/m0/s1
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n/an/a 62n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192252
PNG
(US9187450, 6)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(cn1)N1CCCCC1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C39H47F6N5O/c1-37(2)20-29-32(30(51)21-37)31(24-10-14-38(41,42)15-11-24)33(34(40)25-6-8-27(9-7-25)39(43,44)45)35(48-29)26-12-18-50(19-13-26)36-46-22-28(23-47-36)49-16-4-3-5-17-49/h6-9,22-24,26,30,34,51H,3-5,10-21H2,1-2H3/t30-,34-/m0/s1
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n/an/a 66n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192250
PNG
(US9187450, 4)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(O)cn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C34H38F6N4O2/c1-32(2)15-24-27(25(46)16-32)26(19-7-11-33(36,37)12-8-19)28(29(35)20-3-5-22(6-4-20)34(38,39)40)30(43-24)21-9-13-44(14-10-21)31-41-17-23(45)18-42-31/h3-6,17-19,21,25,29,45-46H,7-16H2,1-2H3/t25-,29-/m0/s1
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n/an/a 73n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192277
PNG
(US9187450, 28)
Show SMILES CC(C)OCc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C38H46F6N4O2/c1-22(2)50-21-23-19-45-35(46-20-23)48-15-11-26(12-16-48)34-32(33(39)25-5-7-27(8-6-25)38(42,43)44)30(24-9-13-37(40,41)14-10-24)31-28(47-34)17-36(3,4)18-29(31)49/h5-8,19-20,22,24,26,29,33,49H,9-18,21H2,1-4H3/t29-,33-/m0/s1
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n/an/a 78n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192247
PNG
(US9187450, 1)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncccn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C34H38F6N4O/c1-32(2)18-24-27(25(45)19-32)26(20-8-12-33(36,37)13-9-20)28(29(35)21-4-6-23(7-5-21)34(38,39)40)30(43-24)22-10-16-44(17-11-22)31-41-14-3-15-42-31/h3-7,14-15,20,22,25,29,45H,8-13,16-19H2,1-2H3/t25-,29-/m0/s1
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n/an/a 83n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192284
PNG
(US9187450, 35)
Show SMILES Cc1noc(n1)-c1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C37H40F6N6O2/c1-20-46-33(51-48-20)24-18-44-34(45-19-24)49-14-10-23(11-15-49)32-30(31(38)22-4-6-25(7-5-22)37(41,42)43)28(21-8-12-36(39,40)13-9-21)29-26(47-32)16-35(2,3)17-27(29)50/h4-7,18-19,21,23,27,31,50H,8-17H2,1-3H3/t27-,31-/m0/s1
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n/an/a 88n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192259
PNG
(US9187450, 13)
Show SMILES CCOc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C36H42F6N4O2/c1-4-48-25-19-43-33(44-20-25)46-15-11-23(12-16-46)32-30(31(37)22-5-7-24(8-6-22)36(40,41)42)28(21-9-13-35(38,39)14-10-21)29-26(45-32)17-34(2,3)18-27(29)47/h5-8,19-21,23,27,31,47H,4,9-18H2,1-3H3/t27-,31-/m0/s1
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n/an/a 92n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192260
PNG
(US9187450, 14)
Show SMILES CC(C)Oc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C37H44F6N4O2/c1-21(2)49-26-19-44-34(45-20-26)47-15-11-24(12-16-47)33-31(32(38)23-5-7-25(8-6-23)37(41,42)43)29(22-9-13-36(39,40)14-10-22)30-27(46-33)17-35(3,4)18-28(30)48/h5-8,19-22,24,28,32,48H,9-18H2,1-4H3/t28-,32-/m0/s1
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n/an/a 97n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192269
PNG
(US9187450, 21)
Show SMILES CC(C)COc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C38H46F6N4O2/c1-22(2)21-50-27-19-45-35(46-20-27)48-15-11-25(12-16-48)34-32(33(39)24-5-7-26(8-6-24)38(42,43)44)30(23-9-13-37(40,41)14-10-23)31-28(47-34)17-36(3,4)18-29(31)49/h5-8,19-20,22-23,25,29,33,49H,9-18,21H2,1-4H3/t29-,33-/m0/s1
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n/an/a 99n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192258
PNG
(US9187450, 12)
Show SMILES CC(C)c1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C37H44F6N4O/c1-21(2)25-19-44-34(45-20-25)47-15-11-24(12-16-47)33-31(32(38)23-5-7-26(8-6-23)37(41,42)43)29(22-9-13-36(39,40)14-10-22)30-27(46-33)17-35(3,4)18-28(30)48/h5-8,19-22,24,28,32,48H,9-18H2,1-4H3/t28-,32-/m0/s1
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n/an/a 103n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192270
PNG
(US9187450, 22)
Show SMILES CC(C)CCOc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C39H48F6N4O2/c1-23(2)13-18-51-28-21-46-36(47-22-28)49-16-11-26(12-17-49)35-33(34(40)25-5-7-27(8-6-25)39(43,44)45)31(24-9-14-38(41,42)15-10-24)32-29(48-35)19-37(3,4)20-30(32)50/h5-8,21-24,26,30,34,50H,9-20H2,1-4H3/t30-,34-/m0/s1
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n/an/a 111n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192255
PNG
(US9187450, 9)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(cn1)N1CCSCC1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C38H45F6N5OS/c1-36(2)19-28-31(29(50)20-36)30(23-7-11-37(40,41)12-8-23)32(33(39)24-3-5-26(6-4-24)38(42,43)44)34(47-28)25-9-13-49(14-10-25)35-45-21-27(22-46-35)48-15-17-51-18-16-48/h3-6,21-23,25,29,33,50H,7-20H2,1-2H3/t29-,33-/m0/s1
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n/an/a 122n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192248
PNG
(US9187450, 2)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(Br)cn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C34H37BrF6N4O/c1-32(2)15-24-27(25(46)16-32)26(19-7-11-33(37,38)12-8-19)28(29(36)20-3-5-22(6-4-20)34(39,40)41)30(44-24)21-9-13-45(14-10-21)31-42-17-23(35)18-43-31/h3-6,17-19,21,25,29,46H,7-16H2,1-2H3/t25-,29-/m0/s1
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n/an/a 150n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192265
PNG
(US9187450, 18)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(cn1)C1=CCCCC1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r,t:26|
Show InChI InChI=1S/C40H46F6N4O/c1-38(2)20-30-33(31(51)21-38)32(25-12-16-39(42,43)17-13-25)34(35(41)26-8-10-29(11-9-26)40(44,45)46)36(49-30)27-14-18-50(19-15-27)37-47-22-28(23-48-37)24-6-4-3-5-7-24/h6,8-11,22-23,25,27,31,35,51H,3-5,7,12-21H2,1-2H3/t31-,35-/m0/s1
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n/an/a 177n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192266
PNG
(US9187450, 19)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(cn1)C1CC1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C37H42F6N4O/c1-35(2)17-27-30(28(48)18-35)29(22-9-13-36(39,40)14-10-22)31(32(38)23-5-7-26(8-6-23)37(41,42)43)33(46-27)24-11-15-47(16-12-24)34-44-19-25(20-45-34)21-3-4-21/h5-8,19-22,24,28,32,48H,3-4,9-18H2,1-2H3/t28-,32-/m0/s1
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n/an/a 198n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192264
PNG
(US9187450, 17)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(cn1)C#N)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C35H37F6N5O/c1-33(2)15-25-28(26(47)16-33)27(21-7-11-34(37,38)12-8-21)29(30(36)22-3-5-24(6-4-22)35(39,40)41)31(45-25)23-9-13-46(14-10-23)32-43-18-20(17-42)19-44-32/h3-6,18-19,21,23,26,30,47H,7-16H2,1-2H3/t26-,30-/m0/s1
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n/an/a 217n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192263
PNG
(US9187450, 16)
Show SMILES CCCCCc1cnc(nc1)N1CCC(CC1)c1nc2CC(C)(C)C[C@H](O)c2c(C2CCC(F)(F)CC2)c1[C@@H](F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C39H48F6N4O/c1-4-5-6-7-24-22-46-36(47-23-24)49-18-14-27(15-19-49)35-33(34(40)26-8-10-28(11-9-26)39(43,44)45)31(25-12-16-38(41,42)17-13-25)32-29(48-35)20-37(2,3)21-30(32)50/h8-11,22-23,25,27,30,34,50H,4-7,12-21H2,1-3H3/t30-,34-/m0/s1
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n/an/a 243n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192251
PNG
(US9187450, 5)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(cn1)N1CCOCC1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C38H45F6N5O2/c1-36(2)19-28-31(29(50)20-36)30(23-7-11-37(40,41)12-8-23)32(33(39)24-3-5-26(6-4-24)38(42,43)44)34(47-28)25-9-13-49(14-10-25)35-45-21-27(22-46-35)48-15-17-51-18-16-48/h3-6,21-23,25,29,33,50H,7-20H2,1-2H3/t29-,33-/m0/s1
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n/an/a 250n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM192267
PNG
(US9187450, 20)
Show SMILES CC1(C)C[C@H](O)c2c(C1)nc(C1CCN(CC1)c1ncc(CO)cn1)c([C@@H](F)c1ccc(cc1)C(F)(F)F)c2C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C35H40F6N4O2/c1-33(2)15-25-28(26(47)16-33)27(21-7-11-34(37,38)12-8-21)29(30(36)22-3-5-24(6-4-22)35(39,40)41)31(44-25)23-9-13-45(14-10-23)32-42-17-20(19-46)18-43-32/h3-6,17-18,21,23,26,30,46-47H,7-16,19H2,1-2H3/t26-,30-/m0/s1
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n/an/a 255n/an/an/an/an/a37



Daiichi Sankyo Company, Limited

US Patent


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

US Patent US9187450 (2015)


BindingDB Entry DOI: 10.7270/Q29022KM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%