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PubMed code 26993745

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50348228
PNG
(CHEMBL1800807)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1
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PubMed
n/an/a 60n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50151110
PNG
(CHEMBL3770575)
Show SMILES CCOC(=O)c1ccc(NC(=O)CCN(c2cccc(Oc3ccccc3)c2)S(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C30H27FN2O6S/c1-2-38-30(35)22-11-15-24(16-12-22)32-29(34)19-20-33(40(36,37)28-17-13-23(31)14-18-28)25-7-6-10-27(21-25)39-26-8-4-3-5-9-26/h3-18,21H,2,19-20H2,1H3,(H,32,34)
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n/an/a 150n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50151106
PNG
(CHEMBL3770785)
Show SMILES CCOC(=O)c1ccc(NC(=O)CCN(Cc2ccc(F)cc2)c2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C31H29FN2O4/c1-2-37-31(36)24-13-17-26(18-14-24)33-30(35)19-20-34(22-23-11-15-25(32)16-12-23)27-7-6-10-29(21-27)38-28-8-4-3-5-9-28/h3-18,21H,2,19-20,22H2,1H3,(H,33,35)
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n/an/a 240n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50151108
PNG
(CHEMBL3770414)
Show SMILES CCOC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CCN(Cc1ccc(F)cc1)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C35H36FN3O4/c1-2-42-35(41)28-13-17-30(18-14-28)37-21-23-38(24-22-37)34(40)19-20-39(26-27-11-15-29(36)16-12-27)31-7-6-10-33(25-31)43-32-8-4-3-5-9-32/h3-18,25H,2,19-24,26H2,1H3
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n/an/a 690n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50151323
PNG
(CHEMBL3770143)
Show SMILES CCOC(=O)c1ccc(NC(=O)CCN(c2ccc(Cl)c(c2)-c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C30H26ClFN2O5S/c1-2-39-30(36)22-8-12-24(13-9-22)33-29(35)18-19-34(40(37,38)26-15-10-23(32)11-16-26)25-14-17-28(31)27(20-25)21-6-4-3-5-7-21/h3-17,20H,2,18-19H2,1H3,(H,33,35)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50151318
PNG
(CHEMBL3770517)
Show SMILES CCOC(=O)c1ccc(NC(=O)CCN(Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C25H23Cl2FN2O3/c1-2-33-25(32)18-5-9-20(10-6-18)29-24(31)13-14-30(16-17-3-7-19(28)8-4-17)21-11-12-22(26)23(27)15-21/h3-12,15H,2,13-14,16H2,1H3,(H,29,31)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50151321
PNG
(CHEMBL3771340)
Show SMILES CCOC(=O)c1ccc(NC(=O)CCN(c2cc(Cl)cc(c2)-c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C30H26ClFN2O5S/c1-2-39-30(36)22-8-12-26(13-9-22)33-29(35)16-17-34(40(37,38)28-14-10-25(32)11-15-28)27-19-23(18-24(31)20-27)21-6-4-3-5-7-21/h3-15,18-20H,2,16-17H2,1H3,(H,33,35)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50151105
PNG
(CHEMBL3771268)
Show SMILES CCOC(=O)c1ccc(NC(=O)CCN(Cc2ccc(F)cc2)c2ccc(Cl)c(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C31H28ClFN2O3/c1-2-38-31(37)24-10-14-26(15-11-24)34-30(36)18-19-35(21-22-8-12-25(33)13-9-22)27-16-17-29(32)28(20-27)23-6-4-3-5-7-23/h3-17,20H,2,18-19,21H2,1H3,(H,34,36)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50151102
PNG
(CHEMBL3769998)
Show SMILES CCOC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CCN(Cc1ccc(F)cc1)c1ccc(Cl)c(c1)-c1ccccc1
Show InChI InChI=1S/C35H35ClFN3O3/c1-2-43-35(42)28-10-14-30(15-11-28)38-20-22-39(23-21-38)34(41)18-19-40(25-26-8-12-29(37)13-9-26)31-16-17-33(36)32(24-31)27-6-4-3-5-7-27/h3-17,24H,2,18-23,25H2,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50151058
PNG
(CHEMBL3771037)
Show SMILES CCOC(=O)c1ccc(NC(=O)CCN(Cc2ccc(F)cc2)c2cc(Cl)cc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C31H28ClFN2O3/c1-2-38-31(37)24-10-14-28(15-11-24)34-30(36)16-17-35(21-22-8-12-27(33)13-9-22)29-19-25(18-26(32)20-29)23-6-4-3-5-7-23/h3-15,18-20H,2,16-17,21H2,1H3,(H,34,36)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50151320
PNG
(CHEMBL3769924)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CCN(Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H28Cl2FN3O2/c1-35-24-9-6-22(7-10-24)31-14-16-32(17-15-31)27(34)12-13-33(19-20-2-4-21(30)5-3-20)23-8-11-25(28)26(29)18-23/h2-11,18H,12-17,19H2,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50151062
PNG
(CHEMBL3770163)
Show SMILES CCOC(=O)c1ccc(NC(=O)CCN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C27H22Cl2F6N2O3/c1-2-40-25(39)17-3-5-20(6-4-17)36-24(38)9-10-37(21-7-8-22(28)23(29)14-21)15-16-11-18(26(30,31)32)13-19(12-16)27(33,34)35/h3-8,11-14H,2,9-10,15H2,1H3,(H,36,38)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50151319
PNG
(CHEMBL3770534)
Show SMILES CCOC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CCN(Cc1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C35H36FN3O4/c1-2-42-35(41)28-10-14-30(15-11-28)37-22-24-38(25-23-37)34(40)20-21-39(26-27-8-12-29(36)13-9-27)31-16-18-33(19-17-31)43-32-6-4-3-5-7-32/h3-19H,2,20-26H2,1H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50151109
PNG
(CHEMBL3770134)
Show SMILES OC(=O)c1ccc(NC(=O)CCN(Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C23H19Cl2FN2O3/c24-20-10-9-19(13-21(20)25)28(14-15-1-5-17(26)6-2-15)12-11-22(29)27-18-7-3-16(4-8-18)23(30)31/h1-10,13H,11-12,14H2,(H,27,29)(H,30,31)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50151322
PNG
(CHEMBL3771300)
Show SMILES CCOC(=O)c1ccc(NC(=O)CCN(Cc2ccc(cc2)C(F)(F)F)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C26H23Cl2F3N2O3/c1-2-36-25(35)18-5-9-20(10-6-18)32-24(34)13-14-33(21-11-12-22(27)23(28)15-21)16-17-3-7-19(8-4-17)26(29,30)31/h3-12,15H,2,13-14,16H2,1H3,(H,32,34)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50151107
PNG
(CHEMBL3770309)
Show SMILES CCOC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CCN(Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H30Cl2FN3O3/c1-2-38-29(37)22-5-9-24(10-6-22)33-15-17-34(18-16-33)28(36)13-14-35(20-21-3-7-23(32)8-4-21)25-11-12-26(30)27(31)19-25/h3-12,19H,2,13-18,20H2,1H3
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n/an/a 1.24E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50151104
PNG
(CHEMBL3769982)
Show SMILES CCOC(=O)c1ccc(NC(=O)CCN(Cc2ccc(F)cc2)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C31H29FN2O3/c1-2-37-31(36)26-10-16-28(17-11-26)33-30(35)20-21-34(22-23-8-14-27(32)15-9-23)29-18-12-25(13-19-29)24-6-4-3-5-7-24/h3-19H,2,20-22H2,1H3,(H,33,35)
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n/an/a 1.67E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50151316
PNG
(CHEMBL3770349)
Show SMILES CCOC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CCN(Cc1ccc(cc1)C(F)(F)F)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C30H30Cl2F3N3O3/c1-2-41-29(40)22-5-9-24(10-6-22)36-15-17-37(18-16-36)28(39)13-14-38(25-11-12-26(31)27(32)19-25)20-21-3-7-23(8-4-21)30(33,34)35/h3-12,19H,2,13-18,20H2,1H3
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n/an/a 1.82E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50151317
PNG
(CHEMBL3770385)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CCN(Cc1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C33H34FN3O3/c1-39-30-15-11-28(12-16-30)35-21-23-36(24-22-35)33(38)19-20-37(25-26-7-9-27(34)10-8-26)29-13-17-32(18-14-29)40-31-5-3-2-4-6-31/h2-18H,19-25H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay


Bioorg Med Chem 24: 1811-8 (2016)


Article DOI: 10.1016/j.bmc.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R89
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%