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Articleid 50029903

Compile data set for download or QSAR
Found 12 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))
BDBM50289160
PNG
(2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-4-naphthale...)
Show SMILES Clc1ccc(cc1)N1CCN(CC1)c1nc(Cc2ccc3ccccc3c2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C28H30ClN7/c29-24-7-9-25(10-8-24)34-15-17-36(18-16-34)28-32-26(31-27(33-28)35-13-11-30-12-14-35)20-21-5-6-22-3-1-2-4-23(22)19-21/h1-10,19,30H,11-18,20H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesteryl ester transfer protein


Bioorg Med Chem Lett 6: 919-922 (1996)


Article DOI: 10.1016/0960-894X(96)00145-X
BindingDB Entry DOI: 10.7270/Q2R211D9
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50289152
PNG
(2-{4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-6-pipera...)
Show SMILES Clc1ccc(cc1)N1CCN(CC1)c1nc(nc(n1)N1CCc2ccccc2C1)N1CCNCC1
Show InChI InChI=1S/C26H31ClN8/c27-22-5-7-23(8-6-22)32-15-17-34(18-16-32)25-29-24(33-13-10-28-11-14-33)30-26(31-25)35-12-9-20-3-1-2-4-21(20)19-35/h1-8,28H,9-19H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesteryl ester transfer protein


Bioorg Med Chem Lett 6: 919-922 (1996)


Article DOI: 10.1016/0960-894X(96)00145-X
BindingDB Entry DOI: 10.7270/Q2R211D9
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50289159
PNG
(CHEMBL170534 | {4-[4-(4-Chloro-phenyl)-piperazin-1...)
Show SMILES CN(CCc1ccccc1)c1nc(nc(n1)N1CCN(CC1)c1ccc(Cl)cc1)N1CCNCC1
Show InChI InChI=1S/C26H33ClN8/c1-32(14-11-21-5-3-2-4-6-21)24-29-25(34-15-12-28-13-16-34)31-26(30-24)35-19-17-33(18-20-35)23-9-7-22(27)8-10-23/h2-10,28H,11-20H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesteryl ester transfer protein


Bioorg Med Chem Lett 6: 919-922 (1996)


Article DOI: 10.1016/0960-894X(96)00145-X
BindingDB Entry DOI: 10.7270/Q2R211D9
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50289161
PNG
(2-(4-Chloro-benzyl)-4-[4-(4-chloro-phenyl)-piperaz...)
Show SMILES Clc1ccc(Cc2nc(nc(n2)N2CCN(CC2)c2ccc(Cl)cc2)N2CCNCC2)cc1
Show InChI InChI=1S/C24H27Cl2N7/c25-19-3-1-18(2-4-19)17-22-28-23(32-11-9-27-10-12-32)30-24(29-22)33-15-13-31(14-16-33)21-7-5-20(26)6-8-21/h1-8,27H,9-17H2
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesteryl ester transfer protein


Bioorg Med Chem Lett 6: 919-922 (1996)


Article DOI: 10.1016/0960-894X(96)00145-X
BindingDB Entry DOI: 10.7270/Q2R211D9
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50289154
PNG
(2-Benzyl-4-[4-(4-chloro-phenyl)-piperazin-1-yl]-6-...)
Show SMILES Clc1ccc(cc1)N1CCN(CC1)c1nc(Cc2ccccc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C24H28ClN7/c25-20-6-8-21(9-7-20)30-14-16-32(17-15-30)24-28-22(18-19-4-2-1-3-5-19)27-23(29-24)31-12-10-26-11-13-31/h1-9,26H,10-18H2
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesteryl ester transfer protein


Bioorg Med Chem Lett 6: 919-922 (1996)


Article DOI: 10.1016/0960-894X(96)00145-X
BindingDB Entry DOI: 10.7270/Q2R211D9
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50289162
PNG
(CHEMBL366847 | N-{4-[4-(4-Chloro-phenyl)-piperazin...)
Show SMILES Clc1ccc(cc1)N1CCN(CC1)c1nc(N=NCc2ccccc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C24H28ClN9/c25-20-6-8-21(9-7-20)32-14-16-34(17-15-32)24-29-22(31-27-18-19-4-2-1-3-5-19)28-23(30-24)33-12-10-26-11-13-33/h1-9,26H,10-18H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesteryl ester transfer protein


Bioorg Med Chem Lett 6: 919-922 (1996)


Article DOI: 10.1016/0960-894X(96)00145-X
BindingDB Entry DOI: 10.7270/Q2R211D9
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50289158
PNG
(2-Butyl-4-[4-(4-chloro-phenyl)-piperazin-1-yl]-6-p...)
Show SMILES CCCCc1nc(nc(n1)N1CCN(CC1)c1ccc(Cl)cc1)N1CCNCC1
Show InChI InChI=1S/C21H30ClN7/c1-2-3-4-19-24-20(28-11-9-23-10-12-28)26-21(25-19)29-15-13-27(14-16-29)18-7-5-17(22)6-8-18/h5-8,23H,2-4,9-16H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesteryl ester transfer protein


Bioorg Med Chem Lett 6: 919-922 (1996)


Article DOI: 10.1016/0960-894X(96)00145-X
BindingDB Entry DOI: 10.7270/Q2R211D9
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50289151
PNG
(2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-4-phenyl-6-...)
Show SMILES Clc1ccc(cc1)N1CCN(CC1)c1nc(nc(n1)-c1ccccc1)N1CCNCC1
Show InChI InChI=1S/C23H26ClN7/c24-19-6-8-20(9-7-19)29-14-16-31(17-15-29)23-27-21(18-4-2-1-3-5-18)26-22(28-23)30-12-10-25-11-13-30/h1-9,25H,10-17H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesteryl ester transfer protein


Bioorg Med Chem Lett 6: 919-922 (1996)


Article DOI: 10.1016/0960-894X(96)00145-X
BindingDB Entry DOI: 10.7270/Q2R211D9
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50289156
PNG
(2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-4-phenyleth...)
Show SMILES Clc1ccc(cc1)N1CCN(CC1)c1nc(nc(n1)N1CCNCC1)C#Cc1ccccc1
Show InChI InChI=1S/C25H26ClN7/c26-21-7-9-22(10-8-21)31-16-18-33(19-17-31)25-29-23(11-6-20-4-2-1-3-5-20)28-24(30-25)32-14-12-27-13-15-32/h1-5,7-10,27H,12-19H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesteryl ester transfer protein


Bioorg Med Chem Lett 6: 919-922 (1996)


Article DOI: 10.1016/0960-894X(96)00145-X
BindingDB Entry DOI: 10.7270/Q2R211D9
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50289157
PNG
(5-(2-{4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-6-pip...)
Show SMILES COc1ccc(CCNc2nc(nc(n2)N2CCN(CC2)c2ccc(Cl)cc2)N2CCNCC2)cc1O
Show InChI InChI=1S/C26H33ClN8O2/c1-37-23-7-2-19(18-22(23)36)8-9-29-24-30-25(34-12-10-28-11-13-34)32-26(31-24)35-16-14-33(15-17-35)21-5-3-20(27)4-6-21/h2-7,18,28,36H,8-17H2,1H3,(H,29,30,31,32)
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n/an/a 1.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesteryl ester transfer protein


Bioorg Med Chem Lett 6: 919-922 (1996)


Article DOI: 10.1016/0960-894X(96)00145-X
BindingDB Entry DOI: 10.7270/Q2R211D9
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50289153
PNG
(4-(2-{4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-6-pip...)
Show SMILES Oc1ccc(CCNc2nc(nc(n2)N2CCN(CC2)c2ccc(Cl)cc2)N2CCNCC2)cc1O
Show InChI InChI=1S/C25H31ClN8O2/c26-19-2-4-20(5-3-19)32-13-15-34(16-14-32)25-30-23(29-24(31-25)33-11-9-27-10-12-33)28-8-7-18-1-6-21(35)22(36)17-18/h1-6,17,27,35-36H,7-16H2,(H,28,29,30,31)
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n/an/a 2.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesteryl ester transfer protein


Bioorg Med Chem Lett 6: 919-922 (1996)


Article DOI: 10.1016/0960-894X(96)00145-X
BindingDB Entry DOI: 10.7270/Q2R211D9
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50289155
PNG
(CHEMBL174190 | {4-[4-(4-Chloro-phenyl)-piperazin-1...)
Show SMILES Clc1ccc(cc1)N1CCN(CC1)c1nc(NCCc2ccccc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C25H31ClN8/c26-21-6-8-22(9-7-21)32-16-18-34(19-17-32)25-30-23(28-11-10-20-4-2-1-3-5-20)29-24(31-25)33-14-12-27-13-15-33/h1-9,27H,10-19H2,(H,28,29,30,31)
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n/an/a 4.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cholesteryl ester transfer protein


Bioorg Med Chem Lett 6: 919-922 (1996)


Article DOI: 10.1016/0960-894X(96)00145-X
BindingDB Entry DOI: 10.7270/Q2R211D9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%