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Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'mayhugh' and Initial = 'd'   
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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50135773
PNG
(2-(4-{3-[1-(3,4-Dimethyl-benzyl)-4-methyl-5-oxo-4,...)
Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(C)c2=O)cc1C
Show InChI InChI=1S/C25H31N3O4/c1-17-9-10-20(15-18(17)2)16-28-24(31)27(5)22(26-28)8-6-7-19-11-13-21(14-12-19)32-25(3,4)23(29)30/h9-15H,6-8,16H2,1-5H3,(H,29,30)
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n/an/a 12n/an/an/an/an/an/a



Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human Peroxisome proliferator activated receptor alpha


J Med Chem 46: 5121-4 (2003)


Article DOI: 10.1021/jm034173l
BindingDB Entry DOI: 10.7270/Q2D50MB0
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50383600
PNG
(CHEMBL2032415)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F
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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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
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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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
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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50135777
PNG
(2-(4-{3-[1-(4-tert-Butyl-benzyl)-4-methyl-5-oxo-4,...)
Show SMILES Cn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C27H35N3O4/c1-26(2,3)21-14-10-20(11-15-21)18-30-25(33)29(6)23(28-30)9-7-8-19-12-16-22(17-13-19)34-27(4,5)24(31)32/h10-17H,7-9,18H2,1-6H3,(H,31,32)
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n/an/a 15n/an/an/an/an/an/a



Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human Peroxisome proliferator activated receptor alpha


J Med Chem 46: 5121-4 (2003)


Article DOI: 10.1021/jm034173l
BindingDB Entry DOI: 10.7270/Q2D50MB0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50135775
PNG
(2-Methyl-2-(4-{3-[1-(4-methyl-benzyl)-5-oxo-4-prop...)
Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C26H33N3O4/c1-5-17-28-23(27-29(25(28)32)18-21-11-9-19(2)10-12-21)8-6-7-20-13-15-22(16-14-20)33-26(3,4)24(30)31/h9-16H,5-8,17-18H2,1-4H3,(H,30,31)
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n/an/a 16n/an/an/an/an/an/a



Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human Peroxisome proliferator activated receptor alpha


J Med Chem 46: 5121-4 (2003)


Article DOI: 10.1021/jm034173l
BindingDB Entry DOI: 10.7270/Q2D50MB0
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
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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50135782
PNG
(2-(4-{3-[1-(3-Methoxy-benzyl)-5-oxo-4-propyl-4,5-d...)
Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2cccc(OC)c2)c1=O
Show InChI InChI=1S/C26H33N3O5/c1-5-16-28-23(27-29(25(28)32)18-20-9-6-10-22(17-20)33-4)11-7-8-19-12-14-21(15-13-19)34-26(2,3)24(30)31/h6,9-10,12-15,17H,5,7-8,11,16,18H2,1-4H3,(H,30,31)
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n/an/a 19n/an/an/an/an/an/a



Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human Peroxisome proliferator activated receptor alpha


J Med Chem 46: 5121-4 (2003)


Article DOI: 10.1021/jm034173l
BindingDB Entry DOI: 10.7270/Q2D50MB0
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184446
PNG
(CHEMBL3823961)
Show SMILES CCOCCN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O2S2/c1-2-25-10-9-23(13-6-7-15-17(11-13)27-19(24)22-15)18-21-16(12-26-18)14-5-3-4-8-20-14/h3-8,11-12H,2,9-10H2,1H3,(H,22,24)
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n/an/a 22n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
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
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
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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50135780
PNG
(2-Methyl-2-(4-{3-[1-(4-methyl-benzyl)-5-oxo-4,5-di...)
Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)[nH]c2=O)cc1
Show InChI InChI=1S/C23H27N3O4/c1-16-7-9-18(10-8-16)15-26-22(29)24-20(25-26)6-4-5-17-11-13-19(14-12-17)30-23(2,3)21(27)28/h7-14H,4-6,15H2,1-3H3,(H,27,28)(H,24,25,29)
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n/an/a 24n/an/an/an/an/an/a



Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human Peroxisome proliferator activated receptor alpha


J Med Chem 46: 5121-4 (2003)


Article DOI: 10.1021/jm034173l
BindingDB Entry DOI: 10.7270/Q2D50MB0
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
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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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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50135779
PNG
(2-(4-{3-[4-(2-Hydroxy-ethyl)-1-(4-methyl-benzyl)-5...)
Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(CCO)c2=O)cc1
Show InChI InChI=1S/C25H31N3O5/c1-18-7-9-20(10-8-18)17-28-24(32)27(15-16-29)22(26-28)6-4-5-19-11-13-21(14-12-19)33-25(2,3)23(30)31/h7-14,29H,4-6,15-17H2,1-3H3,(H,30,31)
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n/an/a 27n/an/an/an/an/an/a



Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human Peroxisome proliferator activated receptor alpha


J Med Chem 46: 5121-4 (2003)


Article DOI: 10.1021/jm034173l
BindingDB Entry DOI: 10.7270/Q2D50MB0
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
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
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
Show InChI InChI=1S/C30H33F9N6O3/c1-16(2)24-14-25(22-13-19(28(31,32)33)6-7-23(22)45(24)27(47)48-17(3)4)43(26-40-42-44(41-26)8-5-9-46)15-18-10-20(29(34,35)36)12-21(11-18)30(37,38)39/h6-7,10-13,16-17,24-25,46H,5,8-9,14-15H2,1-4H3/t24-,25-/m0/s1
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Centro de Investigaci�n Lilly

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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
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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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
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
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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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
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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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
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))
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
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))
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
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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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
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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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
GRIA1


(Homo sapiens (Human))
BDBM50184416
PNG
(CHEMBL3822825)
Show SMILES C[C@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)/t11-/m0/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
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
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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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
GRIA1


(Homo sapiens (Human))
BDBM50184419
PNG
(CHEMBL3823445)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(F)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H13FN4OS/c1-10(11-2-4-14-15(8-11)24-17(23)20-14)13-6-7-22(21-13)16-5-3-12(18)9-19-16/h2-10H,1H3,(H,20,23)/t10-/m0/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184418
PNG
(CHEMBL3822572)
Show SMILES Cn1ccc(CN(c2nc(cs2)-c2ccccn2)c2ccc3[nH]ncc3c2)n1
Show InChI InChI=1S/C20H17N7S/c1-26-9-7-15(25-26)12-27(16-5-6-17-14(10-16)11-22-24-17)20-23-19(13-28-20)18-4-2-3-8-21-18/h2-11,13H,12H2,1H3,(H,22,24)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
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
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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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
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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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
Show InChI InChI=1S/C29H31F9N6O2/c1-6-21-13-24(22-12-18(27(30,31)32)7-8-23(22)43(21)26(45)46-16(4)5)42(25-39-41-44(40-25)15(2)3)14-17-9-19(28(33,34)35)11-20(10-17)29(36,37)38/h7-12,15-16,21,24H,6,13-14H2,1-5H3/t21-,24+/m1/s1
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Centro de Investigaci�n Lilly

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50383602
PNG
(CHEMBL2032413)
Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)=O)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F
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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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
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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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
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
GRIA1


(Homo sapiens (Human))
BDBM50184442
PNG
(CHEMBL3823351)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(CCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O2S/c1-12(14-3-4-16-17(10-14)26-19(25)21-16)15-6-8-23(22-15)18-5-2-13(7-9-24)11-20-18/h2-6,8,10-12,24H,7,9H2,1H3,(H,21,25)/t12-/m0/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184444
PNG
(CHEMBL3823394)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(OCCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O3S/c1-12(13-2-4-16-17(10-13)27-19(25)21-16)15-6-7-23(22-15)18-5-3-14(11-20-18)26-9-8-24/h2-7,10-12,24H,8-9H2,1H3,(H,21,25)/t12-/m0/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184414
PNG
(CHEMBL3823131)
Show SMILES CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C16H12N4OS2/c1-20(10-5-6-12-14(8-10)23-16(21)19-12)15-18-13(9-22-15)11-4-2-3-7-17-11/h2-9H,1H3,(H,19,21)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
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
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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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
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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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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human Peroxisome proliferator activated receptor alpha


J Med Chem 46: 5121-4 (2003)


Article DOI: 10.1021/jm034173l
BindingDB Entry DOI: 10.7270/Q2D50MB0
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184415
PNG
(CHEMBL3823222)
Show SMILES CC(c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184412
PNG
(CHEMBL3823274)
Show SMILES CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H13N5S/c1-21(12-5-6-13-11(8-12)9-18-20-13)16-19-15(10-22-16)14-4-2-3-7-17-14/h2-10H,1H3,(H,18,20)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
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
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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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
GRIA1


(Homo sapiens (Human))
BDBM50184441
PNG
(CHEMBL3823817)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(CCC(C)(C)O)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C22H24N4O2S/c1-14(16-5-6-18-19(12-16)29-21(27)24-18)17-9-11-26(25-17)20-7-4-15(13-23-20)8-10-22(2,3)28/h4-7,9,11-14,28H,8,10H2,1-3H3,(H,24,27)/t14-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
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
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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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
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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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
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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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
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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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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50135781
PNG
(2-Methyl-2-(4-{3-[5-oxo-1-(1-phenyl-ethyl)-4-propy...)
Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(C(C)c2ccccc2)c1=O
Show InChI InChI=1S/C26H33N3O4/c1-5-18-28-23(27-29(25(28)32)19(2)21-11-7-6-8-12-21)13-9-10-20-14-16-22(17-15-20)33-26(3,4)24(30)31/h6-8,11-12,14-17,19H,5,9-10,13,18H2,1-4H3,(H,30,31)
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Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human Peroxisome proliferator activated receptor alpha


J Med Chem 46: 5121-4 (2003)


Article DOI: 10.1021/jm034173l
BindingDB Entry DOI: 10.7270/Q2D50MB0
More data for this
Ligand-Target Pair
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