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Compile Data Set for Download or QSAR

Found 149 hits with Last Name = 'chen' and Initial = 'aya'   
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))
BDBM50516404
PNG
(CHEMBL4439823)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC(=O)C(O)C(O)(C(F)(F)F)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C30H25F12NO5/c1-15(2)47-22-12-17(8-9-21(22)32)26(14-16-6-4-3-5-7-16,18-10-19(31)13-20(11-18)48-28(35,36)25(33)34)43-24(45)23(44)27(46,29(37,38)39)30(40,41)42/h3-13,15,23,25,44,46H,14H2,1-2H3,(H,43,45)/t23?,26-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay


ACS Med Chem Lett 10: 911-916 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178701
PNG
(CHEMBL3814374)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178698
PNG
(CHEMBL3813720)
Show SMILES OC(CN[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)CC(F)(F)F |r|
Show InChI InChI=1S/C25H21ClF8N2O2/c26-17-6-7-21(35-13-17)23(11-15-4-2-1-3-5-15,36-14-19(37)12-24(30,31)32)16-8-18(27)10-20(9-16)38-25(33,34)22(28)29/h1-10,13,19,22,36-37H,11-12,14H2/t19?,23-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178699
PNG
(CHEMBL3813836)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C28H26F9NO3/c1-16(2)40-23-12-18(8-9-22(23)30)26(14-17-6-4-3-5-7-17,38-15-24(39)27(33,34)35)19-10-20(29)13-21(11-19)41-28(36,37)25(31)32/h3-13,16,24-25,38-39H,14-15H2,1-2H3/t24-,26-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50516410
PNG
(CHEMBL4574163)
Show SMILES NC(C(=O)N[C@](Cc1ccccc1)(c1ccc(F)c(OC2CC2)c1)c1cc(F)cc(OC(F)(F)C(F)F)c1)C(O)(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C30H24F12N2O4/c31-18-10-17(11-20(13-18)48-28(35,36)25(33)34)26(14-15-4-2-1-3-5-15,16-6-9-21(32)22(12-16)47-19-7-8-19)44-24(45)23(43)27(46,29(37,38)39)30(40,41)42/h1-6,9-13,19,23,25,46H,7-8,14,43H2,(H,44,45)/t23?,26-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay


ACS Med Chem Lett 10: 911-916 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178702
PNG
(CHEMBL3814963)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27+/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178700
PNG
(CHEMBL3814418)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C28H26F9NO3/c1-16(2)40-23-12-18(8-9-22(23)30)26(14-17-6-4-3-5-7-17,38-15-24(39)27(33,34)35)19-10-20(29)13-21(11-19)41-28(36,37)25(31)32/h3-13,16,24-25,38-39H,14-15H2,1-2H3/t24-,26+/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50516398
PNG
(CHEMBL4457286)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC(=O)C(N)C(O)(C(F)(F)F)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C30H26F12N2O4/c1-15(2)47-22-12-17(8-9-21(22)32)26(14-16-6-4-3-5-7-16,18-10-19(31)13-20(11-18)48-28(35,36)25(33)34)44-24(45)23(43)27(46,29(37,38)39)30(40,41)42/h3-13,15,23,25,46H,14,43H2,1-2H3,(H,44,45)/t23?,26-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay


ACS Med Chem Lett 10: 911-916 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM205027
PNG
(US9249096, 40)
Show SMILES OC1=C(CN(Cc2ccccc2)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H20Cl2N2O3/c22-17-9-8-14(11-18(17)23)7-4-10-24-20(27)16-13-25(21(28)19(16)26)12-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,26H,4,7,10,12-13H2,(H,24,27)
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n/an/a 3.60n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50516406
PNG
(CHEMBL4469874)
Show SMILES CC(C)(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC(=O)C(N)C(O)(C(F)(F)F)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C31H28F12N2O4/c1-26(2,3)49-22-13-17(9-10-21(22)33)27(15-16-7-5-4-6-8-16,18-11-19(32)14-20(12-18)48-29(36,37)25(34)35)45-24(46)23(44)28(47,30(38,39)40)31(41,42)43/h4-14,23,25,47H,15,44H2,1-3H3,(H,45,46)/t23?,27-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay


ACS Med Chem Lett 10: 911-916 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50516405
PNG
(CHEMBL4552555)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NCC(O)C(O)(C(F)(F)F)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C30H27F12NO4/c1-16(2)46-23-12-18(8-9-22(23)32)26(14-17-6-4-3-5-7-17,43-15-24(44)27(45,29(37,38)39)30(40,41)42)19-10-20(31)13-21(11-19)47-28(35,36)25(33)34/h3-13,16,24-25,43-45H,14-15H2,1-2H3/t24?,26-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay


ACS Med Chem Lett 10: 911-916 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458638
PNG
(CHEMBL4203395)
Show SMILES OC1=C(CN(CCOc2ccccc2)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C22H22Cl2N2O4/c23-18-9-8-15(13-19(18)24)5-4-10-25-21(28)17-14-26(22(29)20(17)27)11-12-30-16-6-2-1-3-7-16/h1-3,6-9,13,27H,4-5,10-12,14H2,(H,25,28)
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n/an/a 5.40n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50516400
PNG
(CHEMBL4439856)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC(=O)C(N)C(O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C29H27F9N2O4/c1-15(2)43-22-12-17(8-9-21(22)31)27(14-16-6-4-3-5-7-16,40-25(42)23(39)24(41)28(34,35)36)18-10-19(30)13-20(11-18)44-29(37,38)26(32)33/h3-13,15,23-24,26,41H,14,39H2,1-2H3,(H,40,42)/t23?,24?,27-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay


ACS Med Chem Lett 10: 911-916 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178691
PNG
(CHEMBL3814359)
Show SMILES OC(CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1)CC(F)(F)F |r|
Show InChI InChI=1S/C24H20ClF7N2O/c25-18-6-7-21(33-13-18)22(11-15-4-2-1-3-5-15,34-14-20(35)12-23(27,28)29)16-8-17(24(30,31)32)10-19(26)9-16/h1-10,13,20,34-35H,11-12,14H2/t20?,22-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458637
PNG
(CHEMBL4210998)
Show SMILES CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(NC)C1=O |t:19|
Show InChI InChI=1S/C17H21Cl2N3O2/c1-3-22-10-12(15(20-2)17(22)24)16(23)21-8-4-5-11-6-7-13(18)14(19)9-11/h6-7,9,20H,3-5,8,10H2,1-2H3,(H,21,23)
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50516402
PNG
(CHEMBL4473304)
Show SMILES NC(C(=O)N[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(c1)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C26H19F11N2O2/c27-18-8-6-15(7-9-18)22(13-14-4-2-1-3-5-14,16-10-17(24(29,30)31)12-19(28)11-16)39-21(40)20(38)23(41,25(32,33)34)26(35,36)37/h1-12,20,41H,13,38H2,(H,39,40)/t20?,22-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay


ACS Med Chem Lett 10: 911-916 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ
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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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay


ACS Med Chem Lett 10: 911-916 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178697
PNG
(CHEMBL3813777)
Show SMILES O[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H19ClF8N2O2/c25-16-6-7-19(34-12-16)22(11-14-4-2-1-3-5-14,35-13-20(36)23(29,30)31)15-8-17(26)10-18(9-15)37-24(32,33)21(27)28/h1-10,12,20-21,35-36H,11,13H2/t20-,22+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50458647
PNG
(CHEMBL4212095)
Show SMILES Cn1ccc(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c(O)c1=O
Show InChI InChI=1S/C16H16Cl2N2O3/c1-20-8-6-11(14(21)16(20)23)15(22)19-7-2-3-10-4-5-12(17)13(18)9-10/h4-6,8-9,21H,2-3,7H2,1H3,(H,19,22)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HL expressed in African green monkey COS7 cells using HDL as substrate pretreated for 10 mins followed by substrate a...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506741
PNG
(CHEMBL4513722)
Show SMILES Nc1c([nH]c(=O)[nH]c1=O)C(=O)N[C@@H]1CCc2cc(OCc3ccccc3)ccc12 |r|
Show InChI InChI=1S/C21H20N4O4/c22-17-18(24-21(28)25-19(17)26)20(27)23-16-9-6-13-10-14(7-8-15(13)16)29-11-12-4-2-1-3-5-12/h1-5,7-8,10,16H,6,9,11,22H2,(H,23,27)(H2,24,25,26,28)/t16-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human endothelial lipase expressed in African green monkey COS7 cells using HDL as substrate pretreated for 10 mins followe...


Bioorg Med Chem Lett 28: 3721-3725 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.022
BindingDB Entry DOI: 10.7270/Q2JS9TQ8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458645
PNG
(CHEMBL4215063)
Show SMILES OC1=C(CN(CCCN2CCCC2=O)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H25Cl2N3O4/c22-16-7-6-14(12-17(16)23)4-1-8-24-20(29)15-13-26(21(30)19(15)28)11-3-10-25-9-2-5-18(25)27/h6-7,12,28H,1-5,8-11,13H2,(H,24,29)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458642
PNG
(CHEMBL4218352)
Show SMILES CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(NCCOC(C)C)C1=O |t:19|
Show InChI InChI=1S/C21H29Cl2N3O3/c1-4-26-13-16(19(21(26)28)24-10-11-29-14(2)3)20(27)25-9-5-6-15-7-8-17(22)18(23)12-15/h7-8,12,14,24H,4-6,9-11,13H2,1-3H3,(H,25,27)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506738
PNG
(CHEMBL4558644)
Show SMILES Nc1c([nH]c(=O)[nH]c1=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccc(OCc2ccccc2)cc1 |r,wU:12.12,15.19,(34.47,-21.76,;34.48,-23.3,;33.15,-24.08,;33.16,-25.62,;34.48,-26.38,;34.48,-27.92,;35.82,-25.62,;35.82,-24.08,;37.15,-23.3,;31.82,-23.32,;31.81,-21.78,;30.49,-24.09,;29.15,-23.33,;27.82,-24.11,;26.49,-23.33,;26.49,-21.79,;27.82,-21.03,;29.15,-21.79,;25.16,-21.03,;25.17,-19.49,;23.83,-18.71,;22.5,-19.49,;21.16,-18.72,;21.16,-17.18,;19.83,-16.41,;19.83,-14.88,;18.5,-14.1,;17.17,-14.88,;17.17,-16.43,;18.51,-17.18,;22.5,-21.04,;23.84,-21.79,)|
Show InChI InChI=1S/C24H26N4O4/c25-20-21(27-24(31)28-22(20)29)23(30)26-18-10-6-16(7-11-18)17-8-12-19(13-9-17)32-14-15-4-2-1-3-5-15/h1-5,8-9,12-13,16,18H,6-7,10-11,14,25H2,(H,26,30)(H2,27,28,29,31)/t16-,18+
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human endothelial lipase expressed in African green monkey COS7 cells using HDL as substrate pretreated for 10 mins followe...


Bioorg Med Chem Lett 28: 3721-3725 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.022
BindingDB Entry DOI: 10.7270/Q2JS9TQ8
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178692
PNG
(CHEMBL3814646)
Show SMILES O[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C23H18ClF7N2O/c24-17-6-7-19(32-12-17)21(11-14-4-2-1-3-5-14,33-13-20(34)23(29,30)31)15-8-16(22(26,27)28)10-18(25)9-15/h1-10,12,20,33-34H,11,13H2/t20-,21+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458636
PNG
(CHEMBL4206624)
Show SMILES CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(NCCCN2CCCCC2)C1=O |t:19|
Show InChI InChI=1S/C24H34Cl2N4O2/c1-2-30-17-19(22(24(30)32)27-12-7-15-29-13-4-3-5-14-29)23(31)28-11-6-8-18-9-10-20(25)21(26)16-18/h9-10,16,27H,2-8,11-15,17H2,1H3,(H,28,31)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50516408
PNG
(CHEMBL4468692)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NCC(N)C(O)(C(F)(F)F)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C30H28F12N2O3/c1-16(2)46-23-12-18(8-9-22(23)32)26(14-17-6-4-3-5-7-17,44-15-24(43)27(45,29(37,38)39)30(40,41)42)19-10-20(31)13-21(11-19)47-28(35,36)25(33)34/h3-13,16,24-25,44-45H,14-15,43H2,1-2H3/t24?,26-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay


ACS Med Chem Lett 10: 911-916 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506731
PNG
(CHEMBL4439500)
Show SMILES Oc1c([nH]c(=O)[nH]c1=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:12.12,15.19,(30.37,-45.89,;30.37,-47.43,;29.05,-48.2,;29.05,-49.74,;30.38,-50.51,;30.38,-52.05,;31.71,-49.74,;31.71,-48.2,;33.05,-47.43,;27.71,-47.44,;27.7,-45.9,;26.38,-48.21,;25.05,-47.45,;23.72,-48.23,;22.38,-47.46,;22.38,-45.91,;23.72,-45.14,;25.05,-45.91,;21.05,-45.15,;21.05,-43.6,;19.72,-42.84,;18.38,-43.6,;18.39,-45.15,;19.72,-45.92,)|
Show InChI InChI=1S/C17H19N3O4/c21-14-13(19-17(24)20-16(14)23)15(22)18-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12,21H,6-9H2,(H,18,22)(H2,19,20,23,24)/t11-,12+
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human endothelial lipase expressed in African green monkey COS7 cells using HDL as substrate pretreated for 10 mins followe...


Bioorg Med Chem Lett 28: 3721-3725 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.022
BindingDB Entry DOI: 10.7270/Q2JS9TQ8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458644
PNG
(CHEMBL4214459)
Show SMILES CN1C(CC(C)(C)C)C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O |t:23|
Show InChI InChI=1S/C20H26Cl2N2O3/c1-20(2,3)11-15-16(17(25)19(27)24(15)4)18(26)23-9-5-6-12-7-8-13(21)14(22)10-12/h7-8,10,15,25H,5-6,9,11H2,1-4H3,(H,23,26)
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n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458646
PNG
(CHEMBL4207746)
Show SMILES CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O |t:19|
Show InChI InChI=1S/C16H18Cl2N2O3/c1-2-20-9-11(14(21)16(20)23)15(22)19-7-3-4-10-5-6-12(17)13(18)8-10/h5-6,8,21H,2-4,7,9H2,1H3,(H,19,22)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50516401
PNG
(CHEMBL4475826)
Show SMILES OC(C(=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1)C(O)(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C25H17ClF10N2O3/c26-16-6-7-18(37-12-16)21(11-13-4-2-1-3-5-13,14-8-15(23(28,29)30)10-17(27)9-14)38-20(40)19(39)22(41,24(31,32)33)25(34,35)36/h1-10,12,19,39,41H,11H2,(H,38,40)/t19?,21-/m0/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay


ACS Med Chem Lett 10: 911-916 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458639
PNG
(CHEMBL4207216)
Show SMILES CN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O |t:18|
Show InChI InChI=1S/C15H16Cl2N2O3/c1-19-8-10(13(20)15(19)22)14(21)18-6-2-3-9-4-5-11(16)12(17)7-9/h4-5,7,20H,2-3,6,8H2,1H3,(H,18,21)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458640
PNG
(CHEMBL4203934)
Show SMILES CCN1CC(C(=O)NC(C)CCc2ccc(Cl)c(Cl)c2)=C(O)C1=O |t:20|
Show InChI InChI=1S/C17H20Cl2N2O3/c1-3-21-9-12(15(22)17(21)24)16(23)20-10(2)4-5-11-6-7-13(18)14(19)8-11/h6-8,10,22H,3-5,9H2,1-2H3,(H,20,23)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178701
PNG
(CHEMBL3814374)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27-/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506735
PNG
(CHEMBL4583457)
Show SMILES Nc1c([nH]c(=O)[nH]c1=O)C(=O)N[C@@H]1CCCc2c(OCc3ccccc3)cccc12 |r|
Show InChI InChI=1S/C22H22N4O4/c23-18-19(25-22(29)26-20(18)27)21(28)24-16-10-4-9-15-14(16)8-5-11-17(15)30-12-13-6-2-1-3-7-13/h1-3,5-8,11,16H,4,9-10,12,23H2,(H,24,28)(H2,25,26,27,29)/t16-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human endothelial lipase expressed in African green monkey COS7 cells using HDL as substrate pretreated for 10 mins followe...


Bioorg Med Chem Lett 28: 3721-3725 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.022
BindingDB Entry DOI: 10.7270/Q2JS9TQ8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506734
PNG
(CHEMBL4586520)
Show SMILES Nc1c([nH]c(=O)[nH]c1=O)C(=O)N[C@@H]1CC[C@H](c2ccccc2)c2ccccc12 |r|
Show InChI InChI=1S/C21H20N4O3/c22-17-18(24-21(28)25-19(17)26)20(27)23-16-11-10-13(12-6-2-1-3-7-12)14-8-4-5-9-15(14)16/h1-9,13,16H,10-11,22H2,(H,23,27)(H2,24,25,26,28)/t13-,16-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human endothelial lipase expressed in African green monkey COS7 cells using HDL as substrate pretreated for 10 mins followe...


Bioorg Med Chem Lett 28: 3721-3725 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.022
BindingDB Entry DOI: 10.7270/Q2JS9TQ8
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178693
PNG
(CHEMBL3814330)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NC(=O)c1ccc(F)c(c1)C(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C28H17ClF8N2O/c29-20-7-9-24(38-15-20)26(14-16-4-2-1-3-5-16,18-11-19(27(32,33)34)13-21(30)12-18)39-25(40)17-6-8-23(31)22(10-17)28(35,36)37/h1-13,15H,14H2,(H,39,40)/t26-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50516399
PNG
(CHEMBL4448253)
Show SMILES NC(C(=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(O)(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C26H19ClF11N3O3/c27-15-6-7-18(40-12-15)22(11-13-4-2-1-3-5-13,14-8-16(28)10-17(9-14)44-24(31,32)21(29)30)41-20(42)19(39)23(43,25(33,34)35)26(36,37)38/h1-10,12,19,21,43H,11,39H2,(H,41,42)/t19?,22-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay


ACS Med Chem Lett 10: 911-916 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50516399
PNG
(CHEMBL4448253)
Show SMILES NC(C(=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(O)(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C26H19ClF11N3O3/c27-15-6-7-18(40-12-15)22(11-13-4-2-1-3-5-13,14-8-16(28)10-17(9-14)44-24(31,32)21(29)30)41-20(42)19(39)23(43,25(33,34)35)26(36,37)38/h1-10,12,19,21,43H,11,39H2,(H,41,42)/t19?,22-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay


ACS Med Chem Lett 10: 911-916 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178699
PNG
(CHEMBL3813836)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C28H26F9NO3/c1-16(2)40-23-12-18(8-9-22(23)30)26(14-17-6-4-3-5-7-17,38-15-24(39)27(33,34)35)19-10-20(29)13-21(11-19)41-28(36,37)25(31)32/h3-13,16,24-25,38-39H,14-15H2,1-2H3/t24-,26-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50516398
PNG
(CHEMBL4457286)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC(=O)C(N)C(O)(C(F)(F)F)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C30H26F12N2O4/c1-15(2)47-22-12-17(8-9-21(22)32)26(14-16-6-4-3-5-7-16,18-10-19(31)13-20(11-18)48-28(35,36)25(33)34)44-24(45)23(43)27(46,29(37,38)39)30(40,41)42/h3-13,15,23,25,46H,14,43H2,1-2H3,(H,44,45)/t23?,26-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]-CE/HDL transfer incubated for 2.5 hrs by topcount scintillation counting assay


ACS Med Chem Lett 10: 911-916 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50516405
PNG
(CHEMBL4552555)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NCC(O)C(O)(C(F)(F)F)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C30H27F12NO4/c1-16(2)46-23-12-18(8-9-22(23)32)26(14-17-6-4-3-5-7-17,43-15-24(44)27(45,29(37,38)39)30(40,41)42)19-10-20(31)13-21(11-19)47-28(35,36)25(33)34/h3-13,16,24-25,43-45H,14-15H2,1-2H3/t24?,26-/m1/s1
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n/an/a 58n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]-CE/HDL transfer incubated for 2.5 hrs by topcount scintillation counting assay


ACS Med Chem Lett 10: 911-916 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458650
PNG
(CHEMBL4212990)
Show SMILES CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(NCCc2ccncc2)C1=O |t:19|
Show InChI InChI=1S/C23H26Cl2N4O2/c1-2-29-15-18(21(23(29)31)27-13-9-16-7-11-26-12-8-16)22(30)28-10-3-4-17-5-6-19(24)20(25)14-17/h5-8,11-12,14,27H,2-4,9-10,13,15H2,1H3,(H,28,30)
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n/an/a 59n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458643
PNG
(CHEMBL4206109)
Show SMILES CN1C(C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O)c1ccccc1Cl |t:18|
Show InChI InChI=1S/C21H19Cl3N2O3/c1-26-18(13-6-2-3-7-14(13)22)17(19(27)21(26)29)20(28)25-10-4-5-12-8-9-15(23)16(24)11-12/h2-3,6-9,11,18,27H,4-5,10H2,1H3,(H,25,28)
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n/an/a 59n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506737
PNG
(CHEMBL4555254)
Show SMILES CC(C)Cn1c(=O)[nH]c(C(=O)N[C@H]2CC[C@H](CC2)c2ccccc2)c(O)c1=O |r,wU:12.11,15.18,(50.18,-52.33,;48.85,-51.57,;47.52,-52.33,;48.85,-50.03,;47.52,-49.27,;46.18,-50.04,;46.18,-51.58,;44.85,-49.27,;44.85,-47.73,;43.51,-46.97,;43.5,-45.43,;42.18,-47.74,;40.84,-46.98,;39.52,-47.75,;38.18,-46.98,;38.18,-45.44,;39.51,-44.67,;40.84,-45.44,;36.84,-44.67,;36.85,-43.13,;35.51,-42.36,;34.18,-43.13,;34.18,-44.68,;35.52,-45.44,;46.18,-46.95,;46.17,-45.41,;47.51,-47.72,;48.85,-46.96,)|
Show InChI InChI=1S/C21H27N3O4/c1-13(2)12-24-20(27)18(25)17(23-21(24)28)19(26)22-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,13,15-16,25H,8-12H2,1-2H3,(H,22,26)(H,23,28)/t15-,16+
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n/an/a 59n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human endothelial lipase expressed in African green monkey COS7 cells using HDL as substrate pretreated for 10 mins followe...


Bioorg Med Chem Lett 28: 3721-3725 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.022
BindingDB Entry DOI: 10.7270/Q2JS9TQ8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458647
PNG
(CHEMBL4212095)
Show SMILES Cn1ccc(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c(O)c1=O
Show InChI InChI=1S/C16H16Cl2N2O3/c1-20-8-6-11(14(21)16(20)23)15(22)19-7-2-3-10-4-5-12(17)13(18)9-10/h4-6,8-9,21H,2-3,7H2,1H3,(H,19,22)
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n/an/a 61n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50516410
PNG
(CHEMBL4574163)
Show SMILES NC(C(=O)N[C@](Cc1ccccc1)(c1ccc(F)c(OC2CC2)c1)c1cc(F)cc(OC(F)(F)C(F)F)c1)C(O)(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C30H24F12N2O4/c31-18-10-17(11-20(13-18)48-28(35,36)25(33)34)26(14-15-4-2-1-3-5-15,16-6-9-21(32)22(12-16)47-19-7-8-19)44-24(45)23(43)27(46,29(37,38)39)30(40,41)42/h1-6,9-13,19,23,25,46H,7-8,14,43H2,(H,44,45)/t23?,26-/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]-CE/HDL transfer incubated for 2.5 hrs by topcount scintillation counting assay


ACS Med Chem Lett 10: 911-916 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50458639
PNG
(CHEMBL4207216)
Show SMILES CN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O |t:18|
Show InChI InChI=1S/C15H16Cl2N2O3/c1-19-8-10(13(20)15(19)22)14(21)18-6-2-3-9-4-5-11(16)12(17)7-9/h4-5,7,20H,2-3,6,8H2,1H3,(H,18,21)
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n/an/a 76n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HL expressed in African green monkey COS7 cells using HDL as substrate pretreated for 10 mins followed by substrate a...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506742
PNG
(CHEMBL4589512)
Show SMILES OCCn1c(=O)[nH]c(C(=O)N[C@H]2CC[C@H](CC2)c2ccccc2)c(O)c1=O |r,wU:11.10,14.17,(85.09,-51.38,;83.76,-50.62,;83.76,-49.08,;82.43,-48.32,;81.09,-49.09,;81.09,-50.63,;79.76,-48.32,;79.76,-46.78,;78.42,-46.02,;78.42,-44.48,;77.09,-46.79,;75.76,-46.03,;74.43,-46.8,;73.09,-46.03,;73.09,-44.49,;74.43,-43.72,;75.76,-44.49,;71.76,-43.72,;71.76,-42.18,;70.43,-41.41,;69.09,-42.18,;69.09,-43.73,;70.43,-44.5,;81.09,-46.01,;81.08,-44.46,;82.43,-46.78,;83.76,-46.01,)|
Show InChI InChI=1S/C19H23N3O5/c23-11-10-22-18(26)16(24)15(21-19(22)27)17(25)20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-5,13-14,23-24H,6-11H2,(H,20,25)(H,21,27)/t13-,14+
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n/an/a 80n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human endothelial lipase expressed in African green monkey COS7 cells using HDL as substrate pretreated for 10 mins followe...


Bioorg Med Chem Lett 28: 3721-3725 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.022
BindingDB Entry DOI: 10.7270/Q2JS9TQ8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506732
PNG
(CHEMBL4592858)
Show SMILES CCN1CC(C(=O)N[C@H]2CC[C@H](CC2)c2ccccc2)=C(O)C1=O |r,wU:8.7,11.14,t:21,(33.21,-13.77,;34.11,-12.51,;33.48,-11.11,;31.97,-10.8,;31.8,-9.27,;30.46,-8.5,;30.46,-6.96,;29.13,-9.28,;27.8,-8.51,;26.47,-9.29,;25.14,-8.52,;25.13,-6.98,;26.47,-6.21,;27.8,-6.97,;23.8,-6.21,;23.81,-4.67,;22.47,-3.9,;21.14,-4.67,;21.14,-6.21,;22.48,-6.98,;33.21,-8.64,;33.52,-7.13,;34.24,-9.77,;35.78,-9.61,)|
Show InChI InChI=1S/C19H24N2O3/c1-2-21-12-16(17(22)19(21)24)18(23)20-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-7,14-15,22H,2,8-12H2,1H3,(H,20,23)/t14-,15+
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n/an/a 82n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human endothelial lipase expressed in African green monkey COS7 cells using HDL as substrate pretreated for 10 mins followe...


Bioorg Med Chem Lett 28: 3721-3725 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.022
BindingDB Entry DOI: 10.7270/Q2JS9TQ8
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50516404
PNG
(CHEMBL4439823)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC(=O)C(O)C(O)(C(F)(F)F)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C30H25F12NO5/c1-15(2)47-22-12-17(8-9-21(22)32)26(14-16-6-4-3-5-7-16,18-10-19(31)13-20(11-18)48-28(35,36)25(33)34)43-24(45)23(44)27(46,29(37,38)39)30(40,41)42/h3-13,15,23,25,44,46H,14H2,1-2H3,(H,43,45)/t23?,26-/m1/s1
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n/an/a 84n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]-CE/HDL transfer incubated for 2.5 hrs by topcount scintillation counting assay


ACS Med Chem Lett 10: 911-916 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ
More data for this
Ligand-Target Pair
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