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PubMed code 22497761

Compile data set for download or QSAR
Found 59 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))
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))
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))
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))
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))
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))
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))
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 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))
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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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))
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))
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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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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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))
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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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))
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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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))
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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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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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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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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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))
BDBM50381442
PNG
(CHEMBL2017190)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2noc(C)n2)c2nc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C27H26F9N5O3/c1-5-18-11-20(22-19(41(18)24(42)43-13(2)3)6-7-21(38-22)27(34,35)36)40(23-37-14(4)44-39-23)12-15-8-16(25(28,29)30)10-17(9-15)26(31,32)33/h6-10,13,18,20H,5,11-12H2,1-4H3/t18-,20+/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))
BDBM50381430
PNG
(CHEMBL2017204)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(N)ccc2N1C(=O)OC(C)C |r|
Show InChI InChI=1S/C25H28F6N8O2/c1-5-17-11-19(21-18(6-7-20(32)33-21)39(17)23(40)41-13(2)3)38(22-34-36-37(4)35-22)12-14-8-15(24(26,27)28)10-16(9-14)25(29,30)31/h6-10,13,17,19H,5,11-12H2,1-4H3,(H2,32,33)/t17-,19+/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))
BDBM50381438
PNG
(CHEMBL2017385)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(N)c(C)cc2N1C(=O)OC(C)C |r|
Show InChI InChI=1S/C26H30F6N8O2/c1-6-18-11-19(21-20(7-14(4)22(33)34-21)40(18)24(41)42-13(2)3)39(23-35-37-38(5)36-23)12-15-8-16(25(27,28)29)10-17(9-15)26(30,31)32/h7-10,13,18-19H,6,11-12H2,1-5H3,(H2,33,34)/t18-,19+/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))
BDBM50381396
PNG
(CHEMBL2017395)
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)OCCO)C(F)(F)F |r|
Show InChI InChI=1S/C25H24F9N7O3/c1-3-16-11-18(20-17(41(16)22(43)44-7-6-42)4-5-19(35-20)25(32,33)34)40(21-36-38-39(2)37-21)12-13-8-14(23(26,27)28)10-15(9-13)24(29,30)31/h4-5,8-10,16,18,42H,3,6-7,11-12H2,1-2H3/t16-,18+/m1/s1
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n/an/a 108n/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))
BDBM50381405
PNG
(CHEMBL2017404)
Show SMILES CCCC(=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/C26H26F9N7O/c1-4-6-21(43)42-17(5-2)12-19(22-18(42)7-8-20(36-22)26(33,34)35)41(23-37-39-40(3)38-23)13-14-9-15(24(27,28)29)11-16(10-14)25(30,31)32/h7-11,17,19H,4-6,12-13H2,1-3H3/t17-,19+/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))
BDBM50381423
PNG
(CHEMBL2017196)
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)ccc2N1C(=O)OC(C)C |r|
Show InChI InChI=1S/C26H29F6N7O3/c1-6-18-12-20(22-19(7-8-21(33-22)41-5)39(18)24(40)42-14(2)3)38(23-34-36-37(4)35-23)13-15-9-16(25(27,28)29)11-17(10-15)26(30,31)32/h7-11,14,18,20H,6,12-13H2,1-5H3/t18-,20+/m1/s1
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n/an/a 134n/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))
BDBM50381397
PNG
(CHEMBL2017396)
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)OCC(C)(C)C(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C28H28F9N7O4/c1-5-17-11-19(21-18(6-7-20(38-21)28(35,36)37)44(17)24(47)48-13-25(2,3)22(45)46)43(23-39-41-42(4)40-23)12-14-8-15(26(29,30)31)10-16(9-14)27(32,33)34/h6-10,17,19H,5,11-13H2,1-4H3,(H,45,46)/t17-,19+/m1/s1
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n/an/a 139n/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))
BDBM50381431
PNG
(CHEMBL2017205)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(NC)ccc2N1C(=O)OC(C)C |r|
Show InChI InChI=1S/C26H30F6N8O2/c1-6-18-12-20(22-19(7-8-21(33-4)34-22)40(18)24(41)42-14(2)3)39(23-35-37-38(5)36-23)13-15-9-16(25(27,28)29)11-17(10-15)26(30,31)32/h7-11,14,18,20H,6,12-13H2,1-5H3,(H,33,34)/t18-,20+/m1/s1
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n/an/a 142n/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))
BDBM50381420
PNG
(CHEMBL2017192)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(C)no2)c2nc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C28H27F9N4O3/c1-5-19-12-21(24-20(41(19)25(42)43-14(2)3)6-7-22(38-24)28(35,36)37)40(23-8-15(4)39-44-23)13-16-9-17(26(29,30)31)11-18(10-16)27(32,33)34/h6-11,14,19,21H,5,12-13H2,1-4H3/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))
BDBM50381406
PNG
(CHEMBL2017405)
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)c1c(C)cnn1C)C(F)(F)F |r|
Show InChI InChI=1S/C28H26F9N9O/c1-5-18-11-20(22-19(6-7-21(39-22)28(35,36)37)46(18)24(47)23-14(2)12-38-43(23)3)45(25-40-42-44(4)41-25)13-15-8-16(26(29,30)31)10-17(9-15)27(32,33)34/h6-10,12,18,20H,5,11,13H2,1-4H3/t18-,20+/m1/s1
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n/an/a 193n/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))
BDBM50381394
PNG
(CHEMBL2017393)
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(F)(F)F |r|
Show InChI InChI=1S/C24H22F9N7O2/c1-4-15-10-17(19-16(40(15)21(41)42-3)5-6-18(34-19)24(31,32)33)39(20-35-37-38(2)36-20)11-12-7-13(22(25,26)27)9-14(8-12)23(28,29)30/h5-9,15,17H,4,10-11H2,1-3H3/t15-,17+/m1/s1
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n/an/a 197n/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))
BDBM50381419
PNG
(CHEMBL2017191)
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)c2nc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C28H28F9N5O2/c1-5-19-12-21(24-20(42(19)25(43)44-14(2)3)6-7-22(38-24)28(35,36)37)41(23-8-15(4)39-40-23)13-16-9-17(26(29,30)31)11-18(10-16)27(32,33)34/h6-11,14,19,21H,5,12-13H2,1-4H3,(H,39,40)/t19-,21+/m1/s1
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n/an/a 203n/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))
BDBM50381407
PNG
(CHEMBL2017406)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(ccc2N1CC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C26H28F9N7/c1-5-18-11-20(22-19(41(18)12-14(2)3)6-7-21(36-22)26(33,34)35)42(23-37-39-40(4)38-23)13-15-8-16(24(27,28)29)10-17(9-15)25(30,31)32/h6-10,14,18,20H,5,11-13H2,1-4H3/t18-,20+/m1/s1
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n/an/a 205n/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))
BDBM50381393
PNG
(CHEMBL2017392)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(Cl)cc(Cc3cncc(c3)C(F)(F)F)c2)c2nnn(C)n2)c2nc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C31H31ClF6N8O2/c1-5-23-13-25(27-24(46(23)29(47)48-17(2)3)6-7-26(40-27)31(36,37)38)45(28-41-43-44(4)42-28)16-20-9-18(11-22(32)12-20)8-19-10-21(15-39-14-19)30(33,34)35/h6-7,9-12,14-15,17,23,25H,5,8,13,16H2,1-4H3/t23-,25+/m1/s1
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n/an/a 207n/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))
BDBM50381410
PNG
(CHEMBL2017183)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)=O)c2nc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C26H26F9N3O3/c1-5-18-11-20(22-19(38(18)23(40)41-13(2)3)6-7-21(36-22)26(33,34)35)37(14(4)39)12-15-8-16(24(27,28)29)10-17(9-15)25(30,31)32/h6-10,13,18,20H,5,11-12H2,1-4H3/t18-,20+/m1/s1
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n/an/a 396n/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))
BDBM50381416
PNG
(CHEMBL2017381)
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)N1CCCC1 |r|
Show InChI InChI=1S/C29H34F6N8O2/c1-5-21-15-23(25-22(43(21)27(44)45-17(2)3)8-9-24(36-25)41-10-6-7-11-41)42(26-37-39-40(4)38-26)16-18-12-19(28(30,31)32)14-20(13-18)29(33,34)35/h8-9,12-14,17,21,23H,5-7,10-11,15-16H2,1-4H3/t21-,23+/m1/s1
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n/an/a 471n/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))
BDBM50381409
PNG
(CHEMBL2017182)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)=O)c2nc(OC)ccc2N1C(=O)OC(C)C |r|
Show InChI InChI=1S/C26H29F6N3O4/c1-6-19-12-21(23-20(7-8-22(33-23)38-5)35(19)24(37)39-14(2)3)34(15(4)36)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 487n/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))
BDBM50381401
PNG
(CHEMBL2017400)
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)OCCc1nnn[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C26H24F9N11O2/c1-3-16-11-18(21-17(4-5-19(36-21)26(33,34)35)46(16)23(47)48-7-6-20-37-41-42-38-20)45(22-39-43-44(2)40-22)12-13-8-14(24(27,28)29)10-15(9-13)25(30,31)32/h4-5,8-10,16,18H,3,6-7,11-12H2,1-2H3,(H,37,38,41,42)/t16-,18+/m1/s1
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n/an/a 488n/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))
BDBM50381398
PNG
(CHEMBL2017397)
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)OCCN(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C27H29F9N8O2/c1-5-18-13-20(22-19(6-7-21(37-22)27(34,35)36)44(18)24(45)46-9-8-41(2)3)43(23-38-40-42(4)39-23)14-15-10-16(25(28,29)30)12-17(11-15)26(31,32)33/h6-7,10-12,18,20H,5,8-9,13-14H2,1-4H3/t18-,20+/m1/s1
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n/an/a 572n/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))
BDBM50381432
PNG
(CHEMBL2017380)
Show SMILES CCNc1ccc2N([C@H](CC)C[C@H](N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3nnn(C)n3)c2n1)C(=O)OC(C)C |r|
Show InChI InChI=1S/C27H32F6N8O2/c1-6-19-13-21(23-20(8-9-22(35-23)34-7-2)41(19)25(42)43-15(3)4)40(24-36-38-39(5)37-24)14-16-10-17(26(28,29)30)12-18(11-16)27(31,32)33/h8-12,15,19,21H,6-7,13-14H2,1-5H3,(H,34,35)/t19-,21+/m1/s1
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n/an/a 591n/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))
BDBM50381408
PNG
(CHEMBL2017407)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(ccc2N1CCC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C27H30F9N7/c1-5-19-13-21(23-20(42(19)9-8-15(2)3)6-7-22(37-23)27(34,35)36)43(24-38-40-41(4)39-24)14-16-10-17(25(28,29)30)12-18(11-16)26(31,32)33/h6-7,10-12,15,19,21H,5,8-9,13-14H2,1-4H3/t19-,21+/m1/s1
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n/an/a 825n/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))
BDBM50381412
PNG
(CHEMBL2017186)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)=O)c2nc(ccc2N1C(=O)OC(C)C)N(C)C |r|
Show InChI InChI=1S/C27H32F6N4O3/c1-7-20-13-22(24-21(8-9-23(34-24)35(5)6)37(20)25(39)40-15(2)3)36(16(4)38)14-17-10-18(26(28,29)30)12-19(11-17)27(31,32)33/h8-12,15,20,22H,7,13-14H2,1-6H3/t20-,22+/m1/s1
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n/an/a 948n/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))
BDBM50381411
PNG
(CHEMBL2017185)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)=O)c2nc(C)ccc2N1C(=O)OC(C)C |r|
Show InChI InChI=1S/C26H29F6N3O3/c1-6-20-12-22(23-21(8-7-15(4)33-23)35(20)24(37)38-14(2)3)34(16(5)36)13-17-9-18(25(27,28)29)11-19(10-17)26(30,31)32/h7-11,14,20,22H,6,12-13H2,1-5H3/t20-,22+/m1/s1
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n/an/a 980n/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))
BDBM50381414
PNG
(CHEMBL2017188)
Show SMILES CC(C)OC(=O)N1[C@@H](C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)=O)c2nc(ccc12)C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C27H26F9N3O3/c1-13(2)42-24(41)39-19-6-7-22(27(34,35)36)37-23(19)21(11-20(39)16-4-5-16)38(14(3)40)12-15-8-17(25(28,29)30)10-18(9-15)26(31,32)33/h6-10,13,16,20-21H,4-5,11-12H2,1-3H3/t20-,21-/m0/s1
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n/an/a 980n/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))
BDBM50381413
PNG
(CHEMBL2017187)
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)C(C)=O)c2nc(ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C25H24F9N3O3/c1-12(2)40-22(39)37-13(3)7-19(21-18(37)5-6-20(35-21)25(32,33)34)36(14(4)38)11-15-8-16(23(26,27)28)10-17(9-15)24(29,30)31/h5-6,8-10,12-13,19H,7,11H2,1-4H3/t13-,19+/m1/s1
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n/an/a 1.05E+3n/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))
BDBM50381418
PNG
(CHEMBL2017184)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)=O)c2nc(Br)ccc2N1C(=O)OC(C)C |r|
Show InChI InChI=1S/C25H26BrF6N3O3/c1-5-18-11-20(22-19(6-7-21(26)33-22)35(18)23(37)38-13(2)3)34(14(4)36)12-15-8-16(24(27,28)29)10-17(9-15)25(30,31)32/h6-10,13,18,20H,5,11-12H2,1-4H3/t18-,20+/m1/s1
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n/an/a 1.30E+3n/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))
BDBM50381402
PNG
(CHEMBL2017401)
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)OCCN1CCOCC1)C(F)(F)F |r|
Show InChI InChI=1S/C29H31F9N8O3/c1-3-20-15-22(45(25-40-42-43(2)41-25)16-17-12-18(27(30,31)32)14-19(13-17)28(33,34)35)24-21(4-5-23(39-24)29(36,37)38)46(20)26(47)49-11-8-44-6-9-48-10-7-44/h4-5,12-14,20,22H,3,6-11,15-16H2,1-2H3/t20-,22+/m1/s1
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n/an/a 2.11E+3n/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))
BDBM50381441
PNG
(CHEMBL2017189)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C#N)c2nc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C25H23F9N4O2/c1-4-17-10-19(21-18(38(17)22(39)40-13(2)3)5-6-20(36-21)25(32,33)34)37(12-35)11-14-7-15(23(26,27)28)9-16(8-14)24(29,30)31/h5-9,13,17,19H,4,10-11H2,1-3H3/t17-,19+/m1/s1
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n/an/a>5.00E+3n/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))
BDBM50381403
PNG
(CHEMBL2017402)
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)OCCN1CCN(C)CC1)C(F)(F)F |r|
Show InChI InChI=1S/C30H34F9N9O2/c1-4-21-16-23(47(26-41-43-45(3)42-26)17-18-13-19(28(31,32)33)15-20(14-18)29(34,35)36)25-22(5-6-24(40-25)30(37,38)39)48(21)27(49)50-12-11-46-9-7-44(2)8-10-46/h5-6,13-15,21,23H,4,7-12,16-17H2,1-3H3/t21-,23+/m1/s1
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n/an/a 5.73E+3n/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))
BDBM50381435
PNG
(CHEMBL2017201)
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+/m0/s1
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n/an/a 7.42E+3n/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))
BDBM50381433
PNG
(CHEMBL2017382)
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)N1CCOCC1 |r|
Show InChI InChI=1S/C29H34F6N8O3/c1-5-21-15-23(25-22(43(21)27(44)46-17(2)3)6-7-24(36-25)41-8-10-45-11-9-41)42(26-37-39-40(4)38-26)16-18-12-19(28(30,31)32)14-20(13-18)29(33,34)35/h6-7,12-14,17,21,23H,5,8-11,15-16H2,1-4H3/t21-,23+/m1/s1
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n/an/a 2.50E+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))
BDBM50381440
PNG
(CHEMBL2017181)
Show SMILES CCC1CC(N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)=O)c2ccc(C)nc2N1C(=O)OC(C)C
Show InChI InChI=1S/C26H29F6N3O3/c1-6-20-12-22(21-8-7-15(4)33-23(21)35(20)24(37)38-14(2)3)34(16(5)36)13-17-9-18(25(27,28)29)11-19(10-17)26(30,31)32/h7-11,14,20,22H,6,12-13H2,1-5H3
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n/an/a 4.41E+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))
BDBM50381439
PNG
(CHEMBL2017180)
Show SMILES CCC1CC(N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)=O)c2sccc2N1C(=O)OC(C)C
Show InChI InChI=1S/C24H26F6N2O3S/c1-5-18-11-20(21-19(6-7-36-21)32(18)22(34)35-13(2)3)31(14(4)33)12-15-8-16(23(25,26)27)10-17(9-15)24(28,29)30/h6-10,13,18,20H,5,11-12H2,1-4H3
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n/an/a 4.60E+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))
BDBM50381436
PNG
(CHEMBL2017202)
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+/m0/s1
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n/an/a 5.00E+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))
BDBM50381421
PNG
(CHEMBL2017193)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn[nH]2)c2nc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C25H24F9N7O2/c1-4-16-10-18(20-17(41(16)22(42)43-12(2)3)5-6-19(35-20)25(32,33)34)40(21-36-38-39-37-21)11-13-7-14(23(26,27)28)9-15(8-13)24(29,30)31/h5-9,12,16,18H,4,10-11H2,1-3H3,(H,36,37,38,39)/t16-,18+/m1/s1
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n/an/a>5.00E+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))
BDBM50381434
PNG
(CHEMBL2017383)
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)N1CCNCC1 |r|
Show InChI InChI=1S/C29H35F6N9O2/c1-5-21-15-23(25-22(44(21)27(45)46-17(2)3)6-7-24(37-25)42-10-8-36-9-11-42)43(26-38-40-41(4)39-26)16-18-12-19(28(30,31)32)14-20(13-18)29(33,34)35/h6-7,12-14,17,21,23,36H,5,8-11,15-16H2,1-4H3/t21-,23+/m1/s1
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n/an/a>5.00E+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))
BDBM50381422
PNG
(CHEMBL2017194)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnnn2C)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(22-37-38-39-40(22)4)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>5.00E+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
* indicates data uncertainty>20%