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Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'beyer' and Initial = 'tp'   
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
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM20176
PNG
((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3S)-3-hydroxy-6...)
Show SMILES [H][C@](O)(CCC(C)C)[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C |r,t:19|
Show InChI InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
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250n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 291-6 (2003)


Article DOI: 10.1124/jpet.103.052852
BindingDB Entry DOI: 10.7270/Q2JD4VCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM20176
PNG
((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3S)-3-hydroxy-6...)
Show SMILES [H][C@](O)(CCC(C)C)[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C |r,t:19|
Show InChI InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
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490n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 291-6 (2003)


Article DOI: 10.1124/jpet.103.052852
BindingDB Entry DOI: 10.7270/Q2JD4VCH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM86263
PNG
(CAS_57186-25-1 | NSC_0 | paxilline)
Show SMILES CC(C)(O)C1OC2CCC3(C)C4(C)C(Cc5c4[nH]c4ccccc54)CCC3(O)C2=CC1=O |c:33|
Show InChI InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3
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1.10E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 291-6 (2003)


Article DOI: 10.1124/jpet.103.052852
BindingDB Entry DOI: 10.7270/Q2JD4VCH
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381390
PNG
(CHEMBL2017388)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(Cl)cc(c2)C(F)(F)F)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C |r|
Show InChI InChI=1S/C25H29ClF3N7O2/c1-6-19-12-21(22-20(8-7-15(4)30-22)36(19)24(37)38-14(2)3)35(23-31-33-34(5)32-23)13-16-9-17(25(27,28)29)11-18(26)10-16/h7-11,14,19,21H,6,12-13H2,1-5H3/t19-,21+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383600
PNG
(CHEMBL2032415)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C27H27F9N6O2/c1-5-19-12-22(20-11-16(25(28,29)30)6-7-21(20)42(19)24(43)44-14(2)3)41(23-37-39-40(4)38-23)13-15-8-17(26(31,32)33)10-18(9-15)27(34,35)36/h6-11,14,19,22H,5,12-13H2,1-4H3/t19-,22+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383573
PNG
(CHEMBL2029489)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CCCO)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C29H31F9N6O3/c1-4-21-14-24(22-13-18(27(30,31)32)6-7-23(22)44(21)26(46)47-16(2)3)42(25-39-41-43(40-25)8-5-9-45)15-17-10-19(28(33,34)35)12-20(11-17)29(36,37)38/h6-7,10-13,16,21,24,45H,4-5,8-9,14-15H2,1-3H3/t21-,24+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383581
PNG
(CHEMBL2029482)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CCC#N)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C29H28F9N7O2/c1-4-21-14-24(22-13-18(27(30,31)32)6-7-23(22)45(21)26(46)47-16(2)3)43(25-40-42-44(41-25)9-5-8-39)15-17-10-19(28(33,34)35)12-20(11-17)29(36,37)38/h6-7,10-13,16,21,24H,4-5,9,14-15H2,1-3H3/t21-,24+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383579
PNG
(CHEMBL2029483)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CCO)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C28H29F9N6O3/c1-4-20-13-23(21-12-17(26(29,30)31)5-6-22(21)43(20)25(45)46-15(2)3)41(24-38-40-42(39-24)7-8-44)14-16-9-18(27(32,33)34)11-19(10-16)28(35,36)37/h5-6,9-12,15,20,23,44H,4,7-8,13-14H2,1-3H3/t20-,23+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381389
PNG
(CHEMBL2017387)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(Cl)cc(c2)C(F)(F)F)c2nnn(C)n2)c2nc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C25H26ClF6N7O2/c1-5-17-11-19(21-18(39(17)23(40)41-13(2)3)6-7-20(33-21)25(30,31)32)38(22-34-36-37(4)35-22)12-14-8-15(24(27,28)29)10-16(26)9-14/h6-10,13,17,19H,5,11-12H2,1-4H3/t17-,19+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381391
PNG
(CHEMBL2017389)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C#N)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C |r|
Show InChI InChI=1S/C26H29F3N8O2/c1-6-20-12-22(23-21(8-7-16(4)31-23)37(20)25(38)39-15(2)3)36(24-32-34-35(5)33-24)14-18-9-17(13-30)10-19(11-18)26(27,28)29/h7-11,15,20,22H,6,12,14H2,1-5H3/t20-,22+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383604
PNG
(CHEMBL2029481)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CC#N)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C28H26F9N7O2/c1-4-20-13-23(21-12-17(26(29,30)31)5-6-22(21)44(20)25(45)46-15(2)3)42(24-39-41-43(40-24)8-7-38)14-16-9-18(27(32,33)34)11-19(10-16)28(35,36)37/h5-6,9-12,15,20,23H,4,8,13-14H2,1-3H3/t20-,23+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381388
PNG
(CHEMBL2017386)
Show SMILES CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(cc(C)c12)C(F)(F)F |r|
Show InChI InChI=1S/C26H26F9N7O2/c1-5-17-11-18(20-21(42(17)23(43)44-6-2)13(3)7-19(36-20)26(33,34)35)41(22-37-39-40(4)38-22)12-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h7-10,17-18H,5-6,11-12H2,1-4H3/t17-,18+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383598
PNG
(CHEMBL2032417)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(C)no2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C29H28F9N3O3/c1-5-21-13-24(22-12-18(27(30,31)32)6-7-23(22)41(21)26(42)43-15(2)3)40(25-8-16(4)39-44-25)14-17-9-19(28(33,34)35)11-20(10-17)29(36,37)38/h6-12,15,21,24H,5,13-14H2,1-4H3/t21-,24+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381417
PNG
(CHEMBL2017391)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(Cl)cc(Cl)c2)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C |r|
Show InChI InChI=1S/C24H29Cl2N7O2/c1-6-19-12-21(22-20(8-7-15(4)27-22)33(19)24(34)35-14(2)3)32(23-28-30-31(5)29-23)13-16-9-17(25)11-18(26)10-16/h7-11,14,19,21H,6,12-13H2,1-5H3/t19-,21+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383599
PNG
(CHEMBL2032416)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(C)n[nH]2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C29H29F9N4O2/c1-5-21-13-24(22-12-18(27(30,31)32)6-7-23(22)42(21)26(43)44-15(2)3)41(25-8-16(4)39-40-25)14-17-9-19(28(33,34)35)11-20(10-17)29(36,37)38/h6-12,15,21,24H,5,13-14H2,1-4H3,(H,39,40)/t21-,24+/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381415
PNG
(EVACETRAPIB | LY2484595)
Show SMILES Cc1cc(C)c2N(C[C@H]3CC[C@@H](CC3)C(O)=O)CCC[C@H](N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3nnn(C)n3)c2c1 |r,wU:20.21,11.14,wD:8.7,(-5.45,-18.22,;-4.12,-17.45,;-2.78,-18.22,;-1.45,-17.44,;-.11,-18.2,;-1.45,-15.91,;-.01,-15.34,;1.12,-16.38,;2.59,-15.92,;3.91,-16.71,;5.25,-15.96,;5.27,-14.42,;3.95,-13.63,;2.6,-14.38,;6.62,-13.68,;7.94,-14.47,;6.65,-12.14,;.44,-13.86,;-.45,-12.58,;-1.99,-12.47,;-3.03,-13.61,;-4.36,-12.84,;-4.37,-11.31,;-5.7,-10.54,;-5.7,-8.99,;-7.04,-8.22,;-8.37,-8.99,;-8.37,-10.54,;-7.04,-11.31,;-9.7,-11.31,;-11.04,-10.54,;-9.7,-12.85,;-11.05,-12.07,;-7.04,-6.69,;-5.71,-5.91,;-8.38,-5.92,;-7.06,-5.14,;-5.69,-13.62,;-7.1,-12.98,;-8.13,-14.13,;-7.35,-15.46,;-7.98,-16.87,;-5.85,-15.14,;-2.79,-15.14,;-4.12,-15.91,)|
Show InChI InChI=1S/C31H36F6N6O2/c1-18-11-19(2)27-25(12-18)26(5-4-10-42(27)16-20-6-8-22(9-7-20)28(44)45)43(29-38-40-41(3)39-29)17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h11-15,20,22,26H,4-10,16-17H2,1-3H3,(H,44,45)/t20-,22-,26-/m0/s1
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Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381395
PNG
(CHEMBL2017394)
Show SMILES CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C25H24F9N7O2/c1-4-16-11-18(20-17(41(16)22(42)43-5-2)6-7-19(35-20)25(32,33)34)40(21-36-38-39(3)37-21)12-13-8-14(23(26,27)28)10-15(9-13)24(29,30)31/h6-10,16,18H,4-5,11-12H2,1-3H3/t16-,18+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383578
PNG
(CHEMBL2029484)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CCN)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C28H30F9N7O2/c1-4-20-13-23(21-12-17(26(29,30)31)5-6-22(21)44(20)25(45)46-15(2)3)42(24-39-41-43(40-24)8-7-38)14-16-9-18(27(32,33)34)11-19(10-16)28(35,36)37/h5-6,9-12,15,20,23H,4,7-8,13-14,38H2,1-3H3/t20-,23+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381392
PNG
(CHEMBL2017390)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(F)cc(c2)C(F)(F)F)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C |r|
Show InChI InChI=1S/C25H29F4N7O2/c1-6-19-12-21(22-20(8-7-15(4)30-22)36(19)24(37)38-14(2)3)35(23-31-33-34(5)32-23)13-16-9-17(25(27,28)29)11-18(26)10-16/h7-11,14,19,21H,6,12-13H2,1-5H3/t19-,21+/m1/s1
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Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381429
PNG
(CHEMBL2017203)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(ccc2N1C(=O)OC(C)C)N(C)C |r|
Show InChI InChI=1S/C27H32F6N8O2/c1-7-19-13-21(23-20(8-9-22(34-23)38(4)5)41(19)25(42)43-15(2)3)40(24-35-37-39(6)36-24)14-16-10-17(26(28,29)30)12-18(11-16)27(31,32)33/h8-12,15,19,21H,7,13-14H2,1-6H3/t19-,21+/m1/s1
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Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383591
PNG
(CHEMBL2032422)
Show SMILES CC(C)OC(=O)N1[C@H](C)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CCCO)n2)c2cc(ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C28H29F9N6O3/c1-15(2)46-25(45)43-16(3)9-23(21-13-18(26(29,30)31)5-6-22(21)43)41(24-38-40-42(39-24)7-4-8-44)14-17-10-19(27(32,33)34)12-20(11-17)28(35,36)37/h5-6,10-13,15-16,23,44H,4,7-9,14H2,1-3H3/t16-,23+/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383590
PNG
(CHEMBL2032424)
Show SMILES CC(C)OC(=O)N1[C@@H](C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CCCO)n2)c2cc(ccc12)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C30H33F9N6O3/c1-16(2)24-14-25(22-13-19(28(31,32)33)6-7-23(22)45(24)27(47)48-17(3)4)43(26-40-42-44(41-26)8-5-9-46)15-18-10-20(29(34,35)36)12-21(11-18)30(37,38)39/h6-7,10-13,16-17,24-25,46H,5,8-9,14-15H2,1-4H3/t24-,25-/m0/s1
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Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381437
PNG
(CHEMBL2017384)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(OC)c(C)cc2N1C(=O)OC(C)C |r|
Show InChI InChI=1S/C27H31F6N7O3/c1-7-19-12-20(22-21(8-15(4)23(34-22)42-6)40(19)25(41)43-14(2)3)39(24-35-37-38(5)36-24)13-16-9-17(26(28,29)30)11-18(10-16)27(31,32)33/h8-11,14,19-20H,7,12-13H2,1-6H3/t19-,20+/m1/s1
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n/an/a 38.4n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50312718
PNG
(CHEMBL479527 | torcetrapib)
Show SMILES CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)OC)c2cc(ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50312718
PNG
(CHEMBL479527 | torcetrapib)
Show SMILES CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)OC)c2cc(ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383588
PNG
(CHEMBL2029379)
Show SMILES CC(C)OC(=O)N1[C@@H](C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CCN)n2)c2cc(ccc12)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C29H32F9N7O2/c1-15(2)23-13-24(21-12-18(27(30,31)32)5-6-22(21)45(23)26(46)47-16(3)4)43(25-40-42-44(41-25)8-7-39)14-17-9-19(28(33,34)35)11-20(10-17)29(36,37)38/h5-6,9-12,15-16,23-24H,7-8,13-14,39H2,1-4H3/t23-,24-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383592
PNG
(CHEMBL2032421)
Show SMILES CC(C)OC(=O)N1[C@@H](C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2cc(ccc12)C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C28H27F9N6O2/c1-14(2)45-25(44)43-21-7-6-17(26(29,30)31)11-20(21)23(12-22(43)16-4-5-16)42(24-38-40-41(3)39-24)13-15-8-18(27(32,33)34)10-19(9-15)28(35,36)37/h6-11,14,16,22-23H,4-5,12-13H2,1-3H3/t22-,23-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383576
PNG
(CHEMBL2029486)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CC(=O)OC)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C29H29F9N6O4/c1-5-20-12-23(21-11-17(27(30,31)32)6-7-22(21)44(20)26(46)48-15(2)3)42(25-39-41-43(40-25)14-24(45)47-4)13-16-8-18(28(33,34)35)10-19(9-16)29(36,37)38/h6-11,15,20,23H,5,12-14H2,1-4H3/t20-,23+/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381428
PNG
(CHEMBL2017200)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CCO)n2)c2nc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C27H28F9N7O3/c1-4-18-12-20(22-19(43(18)24(45)46-14(2)3)5-6-21(37-22)27(34,35)36)41(23-38-40-42(39-23)7-8-44)13-15-9-16(25(28,29)30)11-17(10-15)26(31,32)33/h5-6,9-11,14,18,20,44H,4,7-8,12-13H2,1-3H3/t18-,20+/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50348228
PNG
(CHEMBL1800807)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383589
PNG
(CHEMBL2032425)
Show SMILES CC(C)OC(=O)N1[C@H](C)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CCN)n2)c2cc(ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C27H28F9N7O2/c1-14(2)45-24(44)43-15(3)8-22(20-12-17(25(28,29)30)4-5-21(20)43)41(23-38-40-42(39-23)7-6-37)13-16-9-18(26(31,32)33)11-19(10-16)27(34,35)36/h4-5,9-12,14-15,22H,6-8,13,37H2,1-3H3/t15-,22+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381425
PNG
(CHEMBL2017197)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(Br)ccc2N1C(=O)OC(C)C |r|
Show InChI InChI=1S/C25H26BrF6N7O2/c1-5-17-11-19(21-18(6-7-20(26)33-21)39(17)23(40)41-13(2)3)38(22-34-36-37(4)35-22)12-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h6-10,13,17,19H,5,11-12H2,1-4H3/t17-,19+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383593
PNG
(CHEMBL2032420)
Show SMILES CC(C)OC(=O)N1[C@@H](C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2cc(ccc12)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C28H29F9N6O2/c1-14(2)22-12-23(20-11-17(26(29,30)31)6-7-21(20)43(22)25(44)45-15(3)4)42(24-38-40-41(5)39-24)13-16-8-18(27(32,33)34)10-19(9-16)28(35,36)37/h6-11,14-15,22-23H,12-13H2,1-5H3/t22-,23-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383597
PNG
(CHEMBL2032418)
Show SMILES CC(C)OC(=O)N1[C@H](C)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2cc(ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C26H25F9N6O2/c1-13(2)43-23(42)41-14(3)7-21(19-11-16(24(27,28)29)5-6-20(19)41)40(22-36-38-39(4)37-22)12-15-8-17(25(30,31)32)10-18(9-15)26(33,34)35/h5-6,8-11,13-14,21H,7,12H2,1-4H3/t14-,21+/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381424
PNG
(CHEMBL2017195)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C26H26F9N7O2/c1-5-17-11-19(21-18(42(17)23(43)44-13(2)3)6-7-20(36-21)26(33,34)35)41(22-37-39-40(4)38-22)12-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h6-10,13,17,19H,5,11-12H2,1-4H3/t17-,19+/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381424
PNG
(CHEMBL2017195)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C26H26F9N7O2/c1-5-17-11-19(21-18(42(17)23(43)44-13(2)3)6-7-20(36-21)26(33,34)35)41(22-37-39-40(4)38-22)12-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h6-10,13,17,19H,5,11-12H2,1-4H3/t17-,19+/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383575
PNG
(CHEMBL2029487)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CC(N)=O)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C28H28F9N7O3/c1-4-19-11-22(20-10-16(26(29,30)31)5-6-21(20)44(19)25(46)47-14(2)3)42(24-39-41-43(40-24)13-23(38)45)12-15-7-17(27(32,33)34)9-18(8-15)28(35,36)37/h5-10,14,19,22H,4,11-13H2,1-3H3,(H2,38,45)/t19-,22+/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383587
PNG
(CHEMBL2032426)
Show SMILES CC(C)OC(=O)N1[C@@H](C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CCN)n2)c2cc(ccc12)C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C29H30F9N7O2/c1-15(2)47-26(46)45-22-6-5-18(27(30,31)32)12-21(22)24(13-23(45)17-3-4-17)43(25-40-42-44(41-25)8-7-39)14-16-9-19(28(33,34)35)11-20(10-16)29(36,37)38/h5-6,9-12,15,17,23-24H,3-4,7-8,13-14,39H2,1-2H3/t23-,24-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381404
PNG
(CHEMBL2017403)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(ccc2N1C(=O)C(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C26H26F9N7O/c1-5-17-11-19(21-18(42(17)22(43)13(2)3)6-7-20(36-21)26(33,34)35)41(23-37-39-40(4)38-23)12-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h6-10,13,17,19H,5,11-12H2,1-4H3/t17-,19+/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383596
PNG
(CHEMBL2032419)
Show SMILES CCC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C28H29F9N6O2/c1-5-6-20-13-23(21-12-17(26(29,30)31)7-8-22(21)43(20)25(44)45-15(2)3)42(24-38-40-41(4)39-24)14-16-9-18(27(32,33)34)11-19(10-16)28(35,36)37/h7-12,15,20,23H,5-6,13-14H2,1-4H3/t20-,23+/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383572
PNG
(CHEMBL2029490)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CCCN)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C29H32F9N7O2/c1-4-21-14-24(22-13-18(27(30,31)32)6-7-23(22)45(21)26(46)47-16(2)3)43(25-40-42-44(41-25)9-5-8-39)15-17-10-19(28(33,34)35)12-20(11-17)29(36,37)38/h6-7,10-13,16,21,24H,4-5,8-9,14-15,39H2,1-3H3/t21-,24+/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383585
PNG
(CHEMBL2029477)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(n2)C(C)C)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C29H31F9N6O2/c1-6-21-13-24(22-12-18(27(30,31)32)7-8-23(22)43(21)26(45)46-16(4)5)42(25-39-41-44(40-25)15(2)3)14-17-9-19(28(33,34)35)11-20(10-17)29(36,37)38/h7-12,15-16,21,24H,6,13-14H2,1-5H3/t21-,24+/m1/s1
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Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383602
PNG
(CHEMBL2032413)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)=O)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C27H27F9N2O3/c1-5-20-12-23(21-11-17(25(28,29)30)6-7-22(21)38(20)24(40)41-14(2)3)37(15(4)39)13-16-8-18(26(31,32)33)10-19(9-16)27(34,35)36/h6-11,14,20,23H,5,12-13H2,1-4H3/t20-,23+/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383580
PNG
(CHEMBL2032423)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CCCl)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C28H28ClF9N6O2/c1-4-20-13-23(21-12-17(26(30,31)32)5-6-22(21)44(20)25(45)46-15(2)3)42(24-39-41-43(40-24)8-7-29)14-16-9-18(27(33,34)35)11-19(10-16)28(36,37)38/h5-6,9-12,15,20,23H,4,7-8,13-14H2,1-3H3/t20-,23+/m1/s1
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n/an/a 58n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381426
PNG
(CHEMBL2017198)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C |r|
Show InChI InChI=1S/C26H29F6N7O2/c1-6-19-12-21(22-20(8-7-15(4)33-22)39(19)24(40)41-14(2)3)38(23-34-36-37(5)35-23)13-16-9-17(25(27,28)29)11-18(10-16)26(30,31)32/h7-11,14,19,21H,6,12-13H2,1-5H3/t19-,21+/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383582
PNG
(CHEMBL2029480)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CC3CC3)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C30H31F9N6O2/c1-4-22-13-25(23-12-19(28(31,32)33)7-8-24(23)45(22)27(46)47-16(2)3)43(26-40-42-44(41-26)15-17-5-6-17)14-18-9-20(29(34,35)36)11-21(10-18)30(37,38)39/h7-12,16-17,22,25H,4-6,13-15H2,1-3H3/t22-,25+/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry


Bioorg Med Chem Lett 22: 3671-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.042
BindingDB Entry DOI: 10.7270/Q2WM1FD1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381426
PNG
(CHEMBL2017198)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C |r|
Show InChI InChI=1S/C26H29F6N7O2/c1-6-19-12-21(22-20(8-7-15(4)33-22)39(19)24(40)41-14(2)3)38(23-34-36-37(5)35-23)13-16-9-17(25(27,28)29)11-18(10-16)26(30,31)32/h7-11,14,19,21H,6,12-13H2,1-5H3/t19-,21+/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381399
PNG
(CHEMBL2017398)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(ccc2N1C(=O)OC1CCOCC1)C(F)(F)F |r|
Show InChI InChI=1S/C28H28F9N7O3/c1-3-18-13-21(23-20(4-5-22(38-23)28(35,36)37)44(18)25(45)47-19-6-8-46-9-7-19)43(24-39-41-42(2)40-24)14-15-10-16(26(29,30)31)12-17(11-15)27(32,33)34/h4-5,10-12,18-19,21H,3,6-9,13-14H2,1-2H3/t18-,21+/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381427
PNG
(CHEMBL2017199)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CCN)n2)c2nc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C27H29F9N8O2/c1-4-18-12-20(22-19(44(18)24(45)46-14(2)3)5-6-21(38-22)27(34,35)36)42(23-39-41-43(40-23)8-7-37)13-15-9-16(25(28,29)30)11-17(10-15)26(31,32)33/h5-6,9-11,14,18,20H,4,7-8,12-13,37H2,1-3H3/t18-,20+/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50381400
PNG
(CHEMBL2017399)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(ccc2N1C(=O)OC1CCN(C)CC1)C(F)(F)F |r|
Show InChI InChI=1S/C29H31F9N8O2/c1-4-19-14-22(24-21(5-6-23(39-24)29(36,37)38)46(19)26(47)48-20-7-9-43(2)10-8-20)45(25-40-42-44(3)41-25)15-16-11-17(27(30,31)32)13-18(12-16)28(33,34)35/h5-6,11-13,19-20,22H,4,7-10,14-15H2,1-3H3/t19-,22+/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis


Bioorg Med Chem Lett 22: 3056-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.075
BindingDB Entry DOI: 10.7270/Q28G8MQT
More data for this
Ligand-Target Pair
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