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Articleid 50029511

Compile data set for download or QSAR
Found 14 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))
BDBM50285074
PNG
(3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-...)
Show SMILES COc1ccc(O)c(O)c1C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C22H20O3/c1-25-19-13-12-18(23)22(24)21(19)20-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)20/h2-9,12-13,20,23-24H,10-11H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesterol ester transfer protein (CETP)


Bioorg Med Chem Lett 5: 2005-2010 (1995)


Article DOI: 10.1016/0960-894X(95)00342-Q
BindingDB Entry DOI: 10.7270/Q2F47P39
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50285075
PNG
(4-Methoxy-3-(5,6,7,8-tetrahydro-naphthalen-2-ylmet...)
Show SMILES COc1ccc(O)c(O)c1Cc1ccc2CCCCc2c1
Show InChI InChI=1S/C18H20O3/c1-21-17-9-8-16(19)18(20)15(17)11-12-6-7-13-4-2-3-5-14(13)10-12/h6-10,19-20H,2-5,11H2,1H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesterol ester transfer protein (CETP)


Bioorg Med Chem Lett 5: 2005-2010 (1995)


Article DOI: 10.1016/0960-894X(95)00342-Q
BindingDB Entry DOI: 10.7270/Q2F47P39
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50276581
PNG
((+/-)-wiedendiol B | CHEMBL456619)
Show SMILES COc1ccc(O)c(O)c1\C=C1/[C@@H](C)CC[C@H]2C(C)(C)CCC[C@]12C
Show InChI InChI=1S/C22H32O3/c1-14-7-10-19-21(2,3)11-6-12-22(19,4)16(14)13-15-18(25-5)9-8-17(23)20(15)24/h8-9,13-14,19,23-24H,6-7,10-12H2,1-5H3/b16-13+/t14-,19-,22+/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesterol ester transfer protein (CETP)


Bioorg Med Chem Lett 5: 2005-2010 (1995)


Article DOI: 10.1016/0960-894X(95)00342-Q
BindingDB Entry DOI: 10.7270/Q2F47P39
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50285079
PNG
(4-Methoxy-3-((S)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7...)
Show SMILES COc1ccc(O)c(O)c1CC1=C(C)CCC2C(C)(C)CCC[C@]12C
Show InChI InChI=1S/C22H32O3/c1-14-7-10-19-21(2,3)11-6-12-22(19,4)16(14)13-15-18(25-5)9-8-17(23)20(15)24/h8-9,19,23-24H,6-7,10-13H2,1-5H3/t19?,22-/m1/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesterol ester transfer protein (CETP)


Bioorg Med Chem Lett 5: 2005-2010 (1995)


Article DOI: 10.1016/0960-894X(95)00342-Q
BindingDB Entry DOI: 10.7270/Q2F47P39
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50285082
PNG
(4-Methoxy-3-[2-((2S,8aR)-2,5,5,8a-tetramethyl-deca...)
Show SMILES COc1ccc(O)c(O)c1CCC1[C@@H](C)CCC2C(C)(C)CCC[C@]12C
Show InChI InChI=1S/C23H36O3/c1-15-7-12-20-22(2,3)13-6-14-23(20,4)17(15)9-8-16-19(26-5)11-10-18(24)21(16)25/h10-11,15,17,20,24-25H,6-9,12-14H2,1-5H3/t15-,17?,20?,23+/m0/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesterol ester transfer protein (CETP)


Bioorg Med Chem Lett 5: 2005-2010 (1995)


Article DOI: 10.1016/0960-894X(95)00342-Q
BindingDB Entry DOI: 10.7270/Q2F47P39
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50285084
PNG
(3-((S)-2,5,5,8a-Tetramethyl-3,4,4a,5,6,7,8,8a-octa...)
Show SMILES CC1=C(Cc2cccc(O)c2O)[C@@]2(C)CCCC(C)(C)C2CC1
Show InChI InChI=1S/C21H30O2/c1-14-9-10-18-20(2,3)11-6-12-21(18,4)16(14)13-15-7-5-8-17(22)19(15)23/h5,7-8,18,22-23H,6,9-13H2,1-4H3/t18?,21-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesterol ester transfer protein (CETP)


Bioorg Med Chem Lett 5: 2005-2010 (1995)


Article DOI: 10.1016/0960-894X(95)00342-Q
BindingDB Entry DOI: 10.7270/Q2F47P39
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50285085
PNG
(4-Methoxy-3-naphthalen-2-ylmethyl-benzene-1,2-diol...)
Show SMILES COc1ccc(O)c(O)c1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C18H16O3/c1-21-17-9-8-16(19)18(20)15(17)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-10,19-20H,11H2,1H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesterol ester transfer protein (CETP)


Bioorg Med Chem Lett 5: 2005-2010 (1995)


Article DOI: 10.1016/0960-894X(95)00342-Q
BindingDB Entry DOI: 10.7270/Q2F47P39
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50285078
PNG
(4-Methoxy-3-naphthalen-1-ylmethyl-benzene-1,2-diol...)
Show SMILES COc1ccc(O)c(O)c1Cc1cccc2ccccc12
Show InChI InChI=1S/C18H16O3/c1-21-17-10-9-16(19)18(20)15(17)11-13-7-4-6-12-5-2-3-8-14(12)13/h2-10,19-20H,11H2,1H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesterol ester transfer protein (CETP)


Bioorg Med Chem Lett 5: 2005-2010 (1995)


Article DOI: 10.1016/0960-894X(95)00342-Q
BindingDB Entry DOI: 10.7270/Q2F47P39
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50285081
PNG
(4-((S)-2,5,5,8a-Tetramethyl-3,4,4a,5,6,7,8,8a-octa...)
Show SMILES CC1=C(Cc2ccc(O)c(O)c2O)[C@@]2(C)CCCC(C)(C)C2CC1
Show InChI InChI=1S/C21H30O3/c1-13-6-9-17-20(2,3)10-5-11-21(17,4)15(13)12-14-7-8-16(22)19(24)18(14)23/h7-8,17,22-24H,5-6,9-12H2,1-4H3/t17?,21-/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesterol ester transfer protein (CETP)


Bioorg Med Chem Lett 5: 2005-2010 (1995)


Article DOI: 10.1016/0960-894X(95)00342-Q
BindingDB Entry DOI: 10.7270/Q2F47P39
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50285076
PNG
(2,4-Dimethoxy-3-((S)-2,5,5,8a-tetramethyl-3,4,4a,5...)
Show SMILES COc1ccc(O)c(OC)c1CC1=C(C)CCC2C(C)(C)CCC[C@]12C
Show InChI InChI=1S/C23H34O3/c1-15-8-11-20-22(2,3)12-7-13-23(20,4)17(15)14-16-19(25-5)10-9-18(24)21(16)26-6/h9-10,20,24H,7-8,11-14H2,1-6H3/t20?,23-/m1/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesterol ester transfer protein (CETP)


Bioorg Med Chem Lett 5: 2005-2010 (1995)


Article DOI: 10.1016/0960-894X(95)00342-Q
BindingDB Entry DOI: 10.7270/Q2F47P39
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50285083
PNG
(2-Methoxy-3-((S)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7...)
Show SMILES COc1c(O)cccc1CC1=C(C)CCC2C(C)(C)CCC[C@]12C
Show InChI InChI=1S/C22H32O2/c1-15-10-11-19-21(2,3)12-7-13-22(19,4)17(15)14-16-8-6-9-18(23)20(16)24-5/h6,8-9,19,23H,7,10-14H2,1-5H3/t19?,22-/m1/s1
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n/an/a 4.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesterol ester transfer protein (CETP)


Bioorg Med Chem Lett 5: 2005-2010 (1995)


Article DOI: 10.1016/0960-894X(95)00342-Q
BindingDB Entry DOI: 10.7270/Q2F47P39
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50285086
PNG
(4-Benzyl-benzene-1,2-diol | 4-Benzylcatechol | CHE...)
Show SMILES Oc1ccc(Cc2ccccc2)cc1O
Show InChI InChI=1S/C13H12O2/c14-12-7-6-11(9-13(12)15)8-10-4-2-1-3-5-10/h1-7,9,14-15H,8H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesterol ester transfer protein (CETP)


Bioorg Med Chem Lett 5: 2005-2010 (1995)


Article DOI: 10.1016/0960-894X(95)00342-Q
BindingDB Entry DOI: 10.7270/Q2F47P39
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50285077
PNG
(2-Hydroxymethyl-6-((S)-2,5,5,8a-tetramethyl-3,4,4a...)
Show SMILES CC1=C(Cc2cccc(CO)c2O)[C@@]2(C)CCCC(C)(C)C2CC1
Show InChI InChI=1S/C22H32O2/c1-15-9-10-19-21(2,3)11-6-12-22(19,4)18(15)13-16-7-5-8-17(14-23)20(16)24/h5,7-8,19,23-24H,6,9-14H2,1-4H3/t19?,22-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesterol ester transfer protein (CETP)


Bioorg Med Chem Lett 5: 2005-2010 (1995)


Article DOI: 10.1016/0960-894X(95)00342-Q
BindingDB Entry DOI: 10.7270/Q2F47P39
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50285080
PNG
(2-Methoxy-3-((S)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7...)
Show SMILES COc1c(O)ccc(O)c1CC1=C(C)CCC2C(C)(C)CCC[C@]12C
Show InChI InChI=1S/C22H32O3/c1-14-7-10-19-21(2,3)11-6-12-22(19,4)16(14)13-15-17(23)8-9-18(24)20(15)25-5/h8-9,19,23-24H,6-7,10-13H2,1-5H3/t19?,22-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesterol ester transfer protein (CETP)


Bioorg Med Chem Lett 5: 2005-2010 (1995)


Article DOI: 10.1016/0960-894X(95)00342-Q
BindingDB Entry DOI: 10.7270/Q2F47P39
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%