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PubMed code 21682257

Compile data set for download or QSAR
Found 11 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))
BDBM50348226
PNG
(CHEMBL1800622)
Show SMILES COc1ccc(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/C30H26F9NO3/c1-15(2)17-5-8-25(42-4)24(12-17)23-7-6-20(28(31,32)33)11-19(23)14-40-16(3)26(43-27(40)41)18-9-21(29(34,35)36)13-22(10-18)30(37,38)39/h5-13,15-16,26H,14H2,1-4H3/t16-,26-/m0/s1
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n/an/a 15.2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer activity after 1 hr by fluorescent cholesteryl esters transfer assay


J Med Chem 54: 4880-95 (2011)


Article DOI: 10.1021/jm200484c
BindingDB Entry DOI: 10.7270/Q2NG4QZ3
More data for this
Ligand-Target Pair
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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n/an/a 17.2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer activity after 1 hr by fluorescent cholesteryl esters transfer assay


J Med Chem 54: 4880-95 (2011)


Article DOI: 10.1021/jm200484c
BindingDB Entry DOI: 10.7270/Q2NG4QZ3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50348230
PNG
(CHEMBL1800810)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1CN1C(=O)O[C@H](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1(C)C)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C31H27F10NO3/c1-15(2)22-12-23(25(44-5)13-24(22)32)21-7-6-18(29(33,34)35)10-17(21)14-42-27(43)45-26(28(42,3)4)16-8-19(30(36,37)38)11-20(9-16)31(39,40)41/h6-13,15,26H,14H2,1-5H3/t26-/m1/s1
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n/an/a 17.8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer activity after 1 hr by fluorescent cholesteryl esters transfer assay


J Med Chem 54: 4880-95 (2011)


Article DOI: 10.1021/jm200484c
BindingDB Entry DOI: 10.7270/Q2NG4QZ3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50348229
PNG
(CHEMBL1800808)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1CN1C[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/C29H23F10NO3/c1-14(2)21-10-22(24(42-3)11-23(21)30)20-5-4-17(27(31,32)33)8-16(20)12-40-13-25(43-26(40)41)15-6-18(28(34,35)36)9-19(7-15)29(37,38)39/h4-11,14,25H,12-13H2,1-3H3/t25-/m0/s1
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n/an/a 25.6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer activity after 1 hr by fluorescent cholesteryl esters transfer assay


J Med Chem 54: 4880-95 (2011)


Article DOI: 10.1021/jm200484c
BindingDB Entry DOI: 10.7270/Q2NG4QZ3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50348223
PNG
(CHEMBL1800802)
Show SMILES COc1ccc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1ccccc1)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C28H28F3NO3/c1-17(2)20-10-13-25(34-4)24(15-20)23-12-11-22(28(29,30)31)14-21(23)16-32-18(3)26(35-27(32)33)19-8-6-5-7-9-19/h5-15,17-18,26H,16H2,1-4H3/t18-,26-/m0/s1
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n/an/a 39.3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer activity after 1 hr by fluorescent cholesteryl esters transfer assay


J Med Chem 54: 4880-95 (2011)


Article DOI: 10.1021/jm200484c
BindingDB Entry DOI: 10.7270/Q2NG4QZ3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50348222
PNG
(CHEMBL1800801)
Show SMILES COc1ccc(cc1-c1ccc(cc1CN1C[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/C29H24F9NO3/c1-15(2)16-4-7-24(41-3)23(11-16)22-6-5-19(27(30,31)32)10-18(22)13-39-14-25(42-26(39)40)17-8-20(28(33,34)35)12-21(9-17)29(36,37)38/h4-12,15,25H,13-14H2,1-3H3/t25-/m0/s1
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n/an/a 93n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer activity after 1 hr by fluorescent cholesteryl esters transfer assay


J Med Chem 54: 4880-95 (2011)


Article DOI: 10.1021/jm200484c
BindingDB Entry DOI: 10.7270/Q2NG4QZ3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50331755
PNG
(CHEMBL1288517 | methyl 3,5-bis(trifluoromethyl)ben...)
Show SMILES COC(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1cc(ccc1-c1cc(C(C)C)c(F)cc1OC)C(F)(F)F
Show InChI InChI=1S/C29H25F10NO3/c1-15(2)22-11-23(25(42-3)12-24(22)30)21-6-5-18(27(31,32)33)9-17(21)14-40(26(41)43-4)13-16-7-19(28(34,35)36)10-20(8-16)29(37,38)39/h5-12,15H,13-14H2,1-4H3
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n/an/a 117n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer activity after 1 hr by fluorescent cholesteryl esters transfer assay


J Med Chem 54: 4880-95 (2011)


Article DOI: 10.1021/jm200484c
BindingDB Entry DOI: 10.7270/Q2NG4QZ3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50331754
PNG
(CHEMBL1288516 | methyl 3,5-bis(trifluoromethyl)ben...)
Show SMILES COC(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1cc(ccc1-c1cc(ccc1OC)C(C)C)C(F)(F)F
Show InChI InChI=1S/C29H26F9NO3/c1-16(2)18-5-8-25(41-3)24(12-18)23-7-6-20(27(30,31)32)11-19(23)15-39(26(40)42-4)14-17-9-21(28(33,34)35)13-22(10-17)29(36,37)38/h5-13,16H,14-15H2,1-4H3
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n/an/a 126n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer activity after 1 hr by fluorescent cholesteryl esters transfer assay


J Med Chem 54: 4880-95 (2011)


Article DOI: 10.1021/jm200484c
BindingDB Entry DOI: 10.7270/Q2NG4QZ3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50348225
PNG
(CHEMBL1800805)
Show SMILES COc1ccc(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/C30H26F9NO3/c1-15(2)17-5-8-25(42-4)24(12-17)23-7-6-20(28(31,32)33)11-19(23)14-40-16(3)26(43-27(40)41)18-9-21(29(34,35)36)13-22(10-18)30(37,38)39/h5-13,15-16,26H,14H2,1-4H3/t16-,26+/m1/s1
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n/an/a 266n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer activity after 1 hr by fluorescent cholesteryl esters transfer assay


J Med Chem 54: 4880-95 (2011)


Article DOI: 10.1021/jm200484c
BindingDB Entry DOI: 10.7270/Q2NG4QZ3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50348227
PNG
(CHEMBL1800806)
Show SMILES CC[C@H]1[C@H](OC(=O)N1Cc1cc(ccc1-c1cc(ccc1OC)C(C)C)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C31H28F9NO3/c1-5-25-27(18-10-21(30(35,36)37)14-22(11-18)31(38,39)40)44-28(42)41(25)15-19-12-20(29(32,33)34)7-8-23(19)24-13-17(16(2)3)6-9-26(24)43-4/h6-14,16,25,27H,5,15H2,1-4H3/t25-,27+/m0/s1
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n/an/a 268n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer activity after 1 hr by fluorescent cholesteryl esters transfer assay


J Med Chem 54: 4880-95 (2011)


Article DOI: 10.1021/jm200484c
BindingDB Entry DOI: 10.7270/Q2NG4QZ3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50348224
PNG
(CHEMBL1800803)
Show SMILES COc1ccc(cc1-c1ccc(cc1CN1[C@H](C)[C@@H](OC1=O)c1ccccc1)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C28H28F3NO3/c1-17(2)20-10-13-25(34-4)24(15-20)23-12-11-22(28(29,30)31)14-21(23)16-32-18(3)26(35-27(32)33)19-8-6-5-7-9-19/h5-15,17-18,26H,16H2,1-4H3/t18-,26-/m1/s1
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n/an/a 5.67E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer activity after 1 hr by fluorescent cholesteryl esters transfer assay


J Med Chem 54: 4880-95 (2011)


Article DOI: 10.1021/jm200484c
BindingDB Entry DOI: 10.7270/Q2NG4QZ3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%