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Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'borel' and Initial = 'ag'   
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))
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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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))
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))
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))
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))
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))
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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n/an/a 37n/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))
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))
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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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))
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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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))
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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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))
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))
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))
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))
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))
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))
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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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))
BDBM50383595
PNG
(CHEMBL2032427)
Show SMILES CCCn1nnc(n1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@H]1C[C@@H](CC)N(C(=O)OC(C)C)c2ccc(cc12)C(F)(F)F |r|
Show InChI InChI=1S/C29H31F9N6O2/c1-5-9-43-40-25(39-41-43)42(15-17-10-19(28(33,34)35)12-20(11-17)29(36,37)38)24-14-21(6-2)44(26(45)46-16(3)4)23-8-7-18(13-22(23)24)27(30,31)32/h7-8,10-13,16,21,24H,5-6,9,14-15H2,1-4H3/t21-,24+/m1/s1
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n/an/a 74n/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))
BDBM50383568
PNG
(CHEMBL2029494)
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(n2)C2CCNCC2)c2cc(ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C30H32F9N7O2/c1-16(2)48-27(47)45-17(3)10-25(23-14-19(28(31,32)33)4-5-24(23)45)44(26-41-43-46(42-26)22-6-8-40-9-7-22)15-18-11-20(29(34,35)36)13-21(12-18)30(37,38)39/h4-5,11-14,16-17,22,25,40H,6-10,15H2,1-3H3/t17-,25+/m1/s1
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n/an/a 78n/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))
BDBM50383570
PNG
(CHEMBL2029492)
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(CCN3CC3)n2)c2cc(ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C29H30F9N7O2/c1-16(2)47-26(46)45-17(3)10-24(22-14-19(27(30,31)32)4-5-23(22)45)43(25-39-41-44(40-25)9-8-42-6-7-42)15-18-11-20(28(33,34)35)13-21(12-18)29(36,37)38/h4-5,11-14,16-17,24H,6-10,15H2,1-3H3/t17-,24+/m1/s1
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n/an/a 151n/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))
BDBM50383571
PNG
(CHEMBL2029491)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CCCN(C)C)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C31H36F9N7O2/c1-6-23-16-26(24-15-20(29(32,33)34)8-9-25(24)47(23)28(48)49-18(2)3)45(27-41-43-46(42-27)11-7-10-44(4)5)17-19-12-21(30(35,36)37)14-22(13-19)31(38,39)40/h8-9,12-15,18,23,26H,6-7,10-11,16-17H2,1-5H3/t23-,26+/m1/s1
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n/an/a 162n/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))
BDBM50383586
PNG
(CHEMBL2029476)
Show SMILES CCCCn1nnc(n1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@H]1C[C@@H](CC)N(C(=O)OC(C)C)c2ccc(cc12)C(F)(F)F |r|
Show InChI InChI=1S/C30H33F9N6O2/c1-5-7-10-44-41-26(40-42-44)43(16-18-11-20(29(34,35)36)13-21(12-18)30(37,38)39)25-15-22(6-2)45(27(46)47-17(3)4)24-9-8-19(14-23(24)25)28(31,32)33/h8-9,11-14,17,22,25H,5-7,10,15-16H2,1-4H3/t22-,25+/m1/s1
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n/an/a 187n/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))
BDBM50383603
PNG
(CHEMBL2032412)
Show SMILES CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)=O)c2cc(ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C26H25F9N2O3/c1-4-19-12-22(20-11-16(24(27,28)29)6-7-21(20)37(19)23(39)40-5-2)36(14(3)38)13-15-8-17(25(30,31)32)10-18(9-15)26(33,34)35/h6-11,19,22H,4-5,12-13H2,1-3H3/t19-,22+/m1/s1
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n/an/a 195n/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))
BDBM50383569
PNG
(CHEMBL2029493)
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(CCN3CCCC3)n2)c2cc(ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C31H34F9N7O2/c1-18(2)49-28(48)47-19(3)12-26(24-16-21(29(32,33)34)6-7-25(24)47)45(27-41-43-46(42-27)11-10-44-8-4-5-9-44)17-20-13-22(30(35,36)37)15-23(14-20)31(38,39)40/h6-7,13-16,18-19,26H,4-5,8-12,17H2,1-3H3/t19-,26+/m1/s1
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n/an/a 218n/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))
BDBM50383567
PNG
(CHEMBL2029496)
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(n2)C2CNC2)c2cc(ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C28H28F9N7O2/c1-14(2)46-25(45)43-15(3)6-23(21-10-17(26(29,30)31)4-5-22(21)43)42(24-39-41-44(40-24)20-11-38-12-20)13-16-7-18(27(32,33)34)9-19(8-16)28(35,36)37/h4-5,7-10,14-15,20,23,38H,6,11-13H2,1-3H3/t15-,23+/m1/s1
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n/an/a 327n/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))
BDBM50383601
PNG
(CHEMBL2032414)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn[nH]2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C26H25F9N6O2/c1-4-18-11-21(19-10-15(24(27,28)29)5-6-20(19)41(18)23(42)43-13(2)3)40(22-36-38-39-37-22)12-14-7-16(25(30,31)32)9-17(8-14)26(33,34)35/h5-10,13,18,21H,4,11-12H2,1-3H3,(H,36,37,38,39)/t18-,21+/m1/s1
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n/an/a 2.31E+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 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))
BDBM50383574
PNG
(CHEMBL2029488)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CC(=O)N(C)C)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C30H32F9N7O3/c1-6-21-13-24(22-12-18(28(31,32)33)7-8-23(22)46(21)27(48)49-16(2)3)44(26-40-42-45(41-26)15-25(47)43(4)5)14-17-9-19(29(34,35)36)11-20(10-17)30(37,38)39/h7-12,16,21,24H,6,13-15H2,1-5H3/t21-,24+/m1/s1
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n/an/a 2.35E+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 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))
BDBM50383577
PNG
(CHEMBL2029485)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CC(O)=O)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C28H27F9N6O4/c1-4-19-11-22(20-10-16(26(29,30)31)5-6-21(20)43(19)25(46)47-14(2)3)41(24-38-40-42(39-24)13-23(44)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,(H,44,45)/t19-,22+/m1/s1
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n/an/a 3.79E+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 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))
BDBM50383594
PNG
(CHEMBL2029495)
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(n2)C2CCN(C)CC2)c2cc(ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C31H34F9N7O2/c1-17(2)49-28(48)46-18(3)11-26(24-15-20(29(32,33)34)5-6-25(24)46)45(27-41-43-47(42-27)23-7-9-44(4)10-8-23)16-19-12-21(30(35,36)37)14-22(13-19)31(38,39)40/h5-6,12-15,17-18,23,26H,7-11,16H2,1-4H3/t18-,26+/m1/s1
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n/an/a 1.01E+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 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))
BDBM50383583
PNG
(CHEMBL2029479)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CC(C)C)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C30H33F9N6O2/c1-6-22-13-25(23-12-19(28(31,32)33)7-8-24(23)45(22)27(46)47-17(4)5)43(26-40-42-44(41-26)14-16(2)3)15-18-9-20(29(34,35)36)11-21(10-18)30(37,38)39/h7-12,16-17,22,25H,6,13-15H2,1-5H3/t22-,25+/m1/s1
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n/an/a 2.00E+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 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))
BDBM50383584
PNG
(CHEMBL2029478)
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)C)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C30H33F9N6O2/c1-7-21-14-24(22-13-18(28(31,32)33)8-9-23(22)44(21)26(46)47-16(2)3)43(25-40-42-45(41-25)27(4,5)6)15-17-10-19(29(34,35)36)12-20(11-17)30(37,38)39/h8-13,16,21,24H,7,14-15H2,1-6H3/t21-,24+/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 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
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50193803
PNG
((S)-6-(4-(2-(2-hydroxy-3-(3-methyl-2-oxo-2,3-dihyd...)
Show SMILES Cn1c2c(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)cccc2[nH]c1=O
Show InChI InChI=1S/C27H31N5O5/c1-27(2,13-17-7-10-20(11-8-17)37-23-12-9-18(14-29-23)25(28)34)30-15-19(33)16-36-22-6-4-5-21-24(22)32(3)26(35)31-21/h4-12,14,19,30,33H,13,15-16H2,1-3H3,(H2,28,34)(H,31,35)/t19-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP levels


Bioorg Med Chem Lett 16: 5691-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.010
BindingDB Entry DOI: 10.7270/Q2251HVR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50193806
PNG
((S)-6-(4-(2-(2-hydroxy-3-(2-oxo-3-propyl-2,3-dihyd...)
Show SMILES CCCn1c2c(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)cccc2[nH]c1=O
Show InChI InChI=1S/C29H35N5O5/c1-4-14-34-26-23(33-28(34)37)6-5-7-24(26)38-18-21(35)17-32-29(2,3)15-19-8-11-22(12-9-19)39-25-13-10-20(16-31-25)27(30)36/h5-13,16,21,32,35H,4,14-15,17-18H2,1-3H3,(H2,30,36)(H,33,37)/t21-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP levels


Bioorg Med Chem Lett 16: 5691-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.010
BindingDB Entry DOI: 10.7270/Q2251HVR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50193805
PNG
((S)-6-(4-(2-(3-(3-(2-cyclopropylethyl)-2-oxo-2,3-d...)
Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CC3)c12
Show InChI InChI=1S/C31H37N5O5/c1-31(2,16-21-8-11-24(12-9-21)41-27-13-10-22(17-33-27)29(32)38)34-18-23(37)19-40-26-5-3-4-25-28(26)36(30(39)35-25)15-14-20-6-7-20/h3-5,8-13,17,20,23,34,37H,6-7,14-16,18-19H2,1-2H3,(H2,32,38)(H,35,39)/t23-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP levels


Bioorg Med Chem Lett 16: 5691-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.010
BindingDB Entry DOI: 10.7270/Q2251HVR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50193802
PNG
((S)-6-(4-(2-(3-(3-ethyl-2-oxo-2,3-dihydro-1H-benzo...)
Show SMILES CCn1c2c(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)cccc2[nH]c1=O
Show InChI InChI=1S/C28H33N5O5/c1-4-33-25-22(32-27(33)36)6-5-7-23(25)37-17-20(34)16-31-28(2,3)14-18-8-11-21(12-9-18)38-24-13-10-19(15-30-24)26(29)35/h5-13,15,20,31,34H,4,14,16-17H2,1-3H3,(H2,29,35)(H,32,36)/t20-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP levels


Bioorg Med Chem Lett 16: 5691-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.010
BindingDB Entry DOI: 10.7270/Q2251HVR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50193804
PNG
((S)-6-(4-(2-(3-(3-(2-cyclobutylethyl)-2-oxo-2,3-di...)
Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCC3)c12
Show InChI InChI=1S/C32H39N5O5/c1-32(2,17-22-9-12-25(13-10-22)42-28-14-11-23(18-34-28)30(33)39)35-19-24(38)20-41-27-8-4-7-26-29(27)37(31(40)36-26)16-15-21-5-3-6-21/h4,7-14,18,21,24,35,38H,3,5-6,15-17,19-20H2,1-2H3,(H2,33,39)(H,36,40)/t24-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP levels


Bioorg Med Chem Lett 16: 5691-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.010
BindingDB Entry DOI: 10.7270/Q2251HVR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50193801
PNG
((S)-6-(4-(2-(3-(3-(2-cyclopentylethyl)-2-oxo-2,3-d...)
Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCCC3)c12
Show InChI InChI=1S/C33H41N5O5/c1-33(2,18-23-10-13-26(14-11-23)43-29-15-12-24(19-35-29)31(34)40)36-20-25(39)21-42-28-9-5-8-27-30(28)38(32(41)37-27)17-16-22-6-3-4-7-22/h5,8-15,19,22,25,36,39H,3-4,6-7,16-18,20-21H2,1-2H3,(H2,34,40)(H,37,41)/t25-/m0/s1
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n/an/an/an/a 2.40n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP levels


Bioorg Med Chem Lett 16: 5691-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.010
BindingDB Entry DOI: 10.7270/Q2251HVR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50224024
PNG
(6-(4-(2-((S)-2-hydroxy-3-(3-isobutyl-2-oxoindolin-...)
Show SMILES CC(C)CC1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)c12 |w:4.3|
Show InChI InChI=1S/C31H38N4O5/c1-19(2)14-24-28-25(35-30(24)38)6-5-7-26(28)39-18-22(36)17-34-31(3,4)15-20-8-11-23(12-9-20)40-27-13-10-21(16-33-27)29(32)37/h5-13,16,19,22,24,34,36H,14-15,17-18H2,1-4H3,(H2,32,37)(H,35,38)/t22-,24?/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP level


Bioorg Med Chem Lett 17: 6270-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.011
BindingDB Entry DOI: 10.7270/Q22V2FV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50224030
PNG
(6-[4-(2-{[(2S)-2-hydroxy-3-{2'-oxo-1',2'-dihydrosp...)
Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)C3(CC3)c12
Show InChI InChI=1S/C29H32N4O5/c1-28(2,14-18-6-9-21(10-7-18)38-24-11-8-19(15-31-24)26(30)35)32-16-20(34)17-37-23-5-3-4-22-25(23)29(12-13-29)27(36)33-22/h3-11,15,20,32,34H,12-14,16-17H2,1-2H3,(H2,30,35)(H,33,36)/t20-/m0/s1
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n/an/an/an/a 35n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP level


Bioorg Med Chem Lett 17: 6270-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.011
BindingDB Entry DOI: 10.7270/Q22V2FV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50224031
PNG
(6-(4-(2-((S)-2-hydroxy-3-(3-isopropyl-2-oxoindolin...)
Show SMILES CC(C)C1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)c12 |w:3.2|
Show InChI InChI=1S/C30H36N4O5/c1-18(2)26-27-23(34-29(26)37)6-5-7-24(27)38-17-21(35)16-33-30(3,4)14-19-8-11-22(12-9-19)39-25-13-10-20(15-32-25)28(31)36/h5-13,15,18,21,26,33,35H,14,16-17H2,1-4H3,(H2,31,36)(H,34,37)/t21-,26?/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP level


Bioorg Med Chem Lett 17: 6270-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.011
BindingDB Entry DOI: 10.7270/Q22V2FV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50224021
PNG
((S)-6-(4-(2-(3-(3,3-dimethyl-2-oxoindolin-4-yloxy)...)
Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)C(C)(C)c12
Show InChI InChI=1S/C29H34N4O5/c1-28(2,14-18-8-11-21(12-9-18)38-24-13-10-19(15-31-24)26(30)35)32-16-20(34)17-37-23-7-5-6-22-25(23)29(3,4)27(36)33-22/h5-13,15,20,32,34H,14,16-17H2,1-4H3,(H2,30,35)(H,33,36)/t20-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP level


Bioorg Med Chem Lett 17: 6270-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.011
BindingDB Entry DOI: 10.7270/Q22V2FV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50224029
PNG
(6-(4-(2-((S)-3-(3-benzyl-2-oxoindolin-4-yloxy)-2-h...)
Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)C(Cc3ccccc3)c12 |w:34.36|
Show InChI InChI=1S/C34H36N4O5/c1-34(2,18-23-11-14-26(15-12-23)43-30-16-13-24(19-36-30)32(35)40)37-20-25(39)21-42-29-10-6-9-28-31(29)27(33(41)38-28)17-22-7-4-3-5-8-22/h3-16,19,25,27,37,39H,17-18,20-21H2,1-2H3,(H2,35,40)(H,38,41)/t25-,27?/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP level


Bioorg Med Chem Lett 17: 6270-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.011
BindingDB Entry DOI: 10.7270/Q22V2FV6
More data for this
Ligand-Target Pair
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