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PubMed code 25265559

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))
BDBM50028965
PNG
(CHEMBL3360279)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCOCC1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3NO3/c1-15(2)23-21-22(20-18(31-23)13-25(3,4)14-19(20)32)26(9-11-33-12-10-26)34-24(21)16-5-7-17(8-6-16)27(28,29)30/h5-8,15,19,24,32H,9-14H2,1-4H3/t19-,24+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028951
PNG
(CHEMBL3359665)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(cc1)C(C)(C)C |r|
Show InChI InChI=1S/C30H41NO2/c1-18(2)26-24-25(23-21(31-26)16-29(6,7)17-22(23)32)30(14-8-9-15-30)33-27(24)19-10-12-20(13-11-19)28(3,4)5/h10-13,18,22,27,32H,8-9,14-17H2,1-7H3/t22-,27+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028958
PNG
(CHEMBL3360275)
Show SMILES CC1(C)C[C@H](O)c2c3c([C@H](OC33CCCC3)c3ccc(cc3)C(F)(F)F)c(nc2C1)C1CCCC1 |r|
Show InChI InChI=1S/C29H34F3NO2/c1-27(2)15-20-22(21(34)16-27)24-23(25(33-20)17-7-3-4-8-17)26(35-28(24)13-5-6-14-28)18-9-11-19(12-10-18)29(30,31)32/h9-12,17,21,26,34H,3-8,13-16H2,1-2H3/t21-,26+/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028959
PNG
(CHEMBL3360276)
Show SMILES CC1(C)C[C@H](O)c2c3c([C@H](OC33CCCC3)c3ccc(cc3)C(F)(F)F)c(nc2C1)C1CCOCC1 |r|
Show InChI InChI=1S/C29H34F3NO3/c1-27(2)15-20-22(21(34)16-27)24-23(25(33-20)17-9-13-35-14-10-17)26(36-28(24)11-3-4-12-28)18-5-7-19(8-6-18)29(30,31)32/h5-8,17,21,26,34H,3-4,9-16H2,1-2H3/t21-,26+/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028964
PNG
(CHEMBL3360278)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCCC1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C28H34F3NO2/c1-16(2)24-22-23(21-19(32-24)14-26(3,4)15-20(21)33)27(12-6-5-7-13-27)34-25(22)17-8-10-18(11-9-17)28(29,30)31/h8-11,16,20,25,33H,5-7,12-15H2,1-4H3/t20-,25+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028950
PNG
(CHEMBL3359664)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(cc1)C(C)(C)C#N |r|
Show InChI InChI=1S/C30H38N2O2/c1-18(2)26-24-25(23-21(32-26)15-28(3,4)16-22(23)33)30(13-7-8-14-30)34-27(24)19-9-11-20(12-10-19)29(5,6)17-31/h9-12,18,22,27,33H,7-8,13-16H2,1-6H3/t22-,27+/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028952
PNG
(CHEMBL3360269)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3NO2/c1-15(2)23-21-22(20-18(31-23)13-25(3,4)14-19(20)32)26(11-5-6-12-26)33-24(21)16-7-9-17(10-8-16)27(28,29)30/h7-10,15,19,24,32H,5-6,11-14H2,1-4H3/t19-,24+/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028955
PNG
(CHEMBL3360272)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H31F3N2O2/c1-14(2)22-20-21(19-17(31-22)11-24(3,4)12-18(19)32)25(9-5-6-10-25)33-23(20)16-8-7-15(13-30-16)26(27,28)29/h7-8,13-14,18,23,32H,5-6,9-12H2,1-4H3/t18-,23+/m0/s1
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n/an/a 96n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028954
PNG
(CHEMBL3360271)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C27H32F3NO3/c1-15(2)23-21-22(20-18(31-23)13-25(3,4)14-19(20)32)26(11-5-6-12-26)34-24(21)16-7-9-17(10-8-16)33-27(28,29)30/h7-10,15,19,24,32H,5-6,11-14H2,1-4H3/t19-,24+/m0/s1
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n/an/a 131n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028956
PNG
(CHEMBL3360273)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C26H31F3N2O2/c1-14(2)22-20-21(19-16(31-22)11-24(3,4)12-17(19)32)25(9-5-6-10-25)33-23(20)15-7-8-18(30-13-15)26(27,28)29/h7-8,13-14,17,23,32H,5-6,9-12H2,1-4H3/t17-,23+/m0/s1
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n/an/a 135n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028965
PNG
(CHEMBL3360279)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCOCC1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3NO3/c1-15(2)23-21-22(20-18(31-23)13-25(3,4)14-19(20)32)26(9-11-33-12-10-26)34-24(21)16-5-7-17(8-6-16)27(28,29)30/h5-8,15,19,24,32H,9-14H2,1-4H3/t19-,24+/m0/s1
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n/an/a 151n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP in presence of 88% human plasma by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028957
PNG
(CHEMBL3360274)
Show SMILES CCc1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C26H30F3NO2/c1-4-17-21-22(20-18(30-17)13-24(2,3)14-19(20)31)25(11-5-6-12-25)32-23(21)15-7-9-16(10-8-15)26(27,28)29/h7-10,19,23,31H,4-6,11-14H2,1-3H3/t19-,23+/m0/s1
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n/an/a 418n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028953
PNG
(CHEMBL3360270)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3NO2/c1-15(2)23-21-22(20-18(31-23)13-25(3,4)14-19(20)32)26(10-5-6-11-26)33-24(21)16-8-7-9-17(12-16)27(28,29)30/h7-9,12,15,19,24,32H,5-6,10-11,13-14H2,1-4H3/t19-,24+/m0/s1
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n/an/a 524n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028960
PNG
(CHEMBL3360277)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC2(C)C)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H30F3NO2/c1-13(2)21-19-20(18-16(29-21)11-23(3,4)12-17(18)30)24(5,6)31-22(19)14-7-9-15(10-8-14)25(26,27)28/h7-10,13,17,22,30H,11-12H2,1-6H3/t17-,22+/m0/s1
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n/an/a 548n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028966
PNG
(CHEMBL3360280)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@@H](O)c2c2c1[C@@H](OC21CCOCC1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3NO3/c1-15(2)23-21-22(20-18(31-23)13-25(3,4)14-19(20)32)26(9-11-33-12-10-26)34-24(21)16-5-7-17(8-6-16)27(28,29)30/h5-8,15,19,24,32H,9-14H2,1-4H3/t19-,24+/m1/s1
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n/an/a 576n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028948
PNG
(CHEMBL3359662)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H32FNO2/c1-15(2)23-21-22(20-18(28-23)13-25(3,4)14-19(20)29)26(11-5-6-12-26)30-24(21)16-7-9-17(27)10-8-16/h7-10,15,19,24,29H,5-6,11-14H2,1-4H3/t19-,24+/m0/s1
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n/an/a 796n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028949
PNG
(CHEMBL3359663)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C27H32N2O2/c1-16(2)24-22-23(21-19(29-24)13-26(3,4)14-20(21)30)27(11-5-6-12-27)31-25(22)18-9-7-17(15-28)8-10-18/h7-10,16,20,25,30H,5-6,11-14H2,1-4H3/t20-,25+/m0/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028946
PNG
(CHEMBL3359660)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@@H](OC21CCCC1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3NO2/c1-15(2)23-21-22(20-18(31-23)13-25(3,4)14-19(20)32)26(11-5-6-12-26)33-24(21)16-7-9-17(10-8-16)27(28,29)30/h7-10,15,19,24,32H,5-6,11-14H2,1-4H3/t19-,24-/m0/s1
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n/an/a 1.43E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028947
PNG
(CHEMBL3359661)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H33NO2/c1-16(2)23-21-22(20-18(27-23)14-25(3,4)15-19(20)28)26(12-8-9-13-26)29-24(21)17-10-6-5-7-11-17/h5-7,10-11,16,19,24,28H,8-9,12-15H2,1-4H3/t19-,24+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem

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PubMed
n/an/a 4.05E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%