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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50029760   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50287670
PNG
(4-Phenyl-5-tridecyl-4H-[1,2,4]triazole-3-thiol | C...)
Show SMILES CCCCCCCCCCCCCc1n[nH]c(=S)n1-c1ccccc1
Show InChI InChI=1S/C21H33N3S/c1-2-3-4-5-6-7-8-9-10-11-15-18-20-22-23-21(25)24(20)19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3,(H,23,25)
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Article
n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-cholesteryl linoleate(CE) transfer from donor HDL to acceptor LDL driven by recombinant human Cholesteryl ester transfe...


Bioorg Med Chem Lett 6: 1951-1954 (1996)


Article DOI: 10.1016/0960-894X(96)00350-2
BindingDB Entry DOI: 10.7270/Q2Z89CCZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50287672
PNG
(CHEMBL417234 | Octadecyl-phosphonic acid monobenzy...)
Show SMILES CCCCCCCCCCCCCCCCCCP(O)(=O)OCc1ccccc1
Show InChI InChI=1S/C25H45O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29(26,27)28-24-25-21-18-17-19-22-25/h17-19,21-22H,2-16,20,23-24H2,1H3,(H,26,27)
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-cholesteryl linoleate(CE) transfer from donor HDL to acceptor LDL driven by recombinant human cholesteryl ester transfe...


Bioorg Med Chem Lett 6: 1951-1954 (1996)


Article DOI: 10.1016/0960-894X(96)00350-2
BindingDB Entry DOI: 10.7270/Q2Z89CCZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50287671
PNG
(CHEMBL61087 | Pentadecyl-phosphonic acid monobenzy...)
Show SMILES CCCCCCCCCCCCCCCP(O)(=O)OCc1ccccc1
Show InChI InChI=1S/C22H39O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-26(23,24)25-21-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3,(H,23,24)
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-cholesteryl linoleate(CE) transfer from donor HDL to acceptor LDL driven by recombinant human Cholesteryl ester transfe...


Bioorg Med Chem Lett 6: 1951-1954 (1996)


Article DOI: 10.1016/0960-894X(96)00350-2
BindingDB Entry DOI: 10.7270/Q2Z89CCZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50287676
PNG
(CHEMBL57379 | Tetradecyl-phosphonic acid monobenzy...)
Show SMILES CCCCCCCCCCCCCCP(O)(=O)OCc1ccccc1
Show InChI InChI=1S/C21H37O3P/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25(22,23)24-20-21-17-14-13-15-18-21/h13-15,17-18H,2-12,16,19-20H2,1H3,(H,22,23)
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-cholesteryl linoleate(CE) transfer from donor HDL to acceptor LDL driven by recombinant human Cholesteryl ester transfe...


Bioorg Med Chem Lett 6: 1951-1954 (1996)


Article DOI: 10.1016/0960-894X(96)00350-2
BindingDB Entry DOI: 10.7270/Q2Z89CCZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50287675
PNG
(CHEMBL58643 | Tetradecyl-phosphonic acid mono-(3-p...)
Show SMILES CCCCCCCCCCCCCCP(O)(=O)OCc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C27H41O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-22-32(28,29)30-24-25-18-17-21-27(23-25)31-26-19-14-13-15-20-26/h13-15,17-21,23H,2-12,16,22,24H2,1H3,(H,28,29)
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-cholesteryl linoleate(CE) transfer from donor HDL to acceptor LDL driven by recombinant human Cholesteryl ester transfe...


Bioorg Med Chem Lett 6: 1951-1954 (1996)


Article DOI: 10.1016/0960-894X(96)00350-2
BindingDB Entry DOI: 10.7270/Q2Z89CCZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50287673
PNG
(CHEMBL61241 | Octadecyl-phenethyl-phosphinic acid)
Show SMILES CCCCCCCCCCCCCCCCCCP(O)(=O)CCc1ccccc1
Show InChI InChI=1S/C26H47O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-29(27,28)25-23-26-21-18-17-19-22-26/h17-19,21-22H,2-16,20,23-25H2,1H3,(H,27,28)
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-cholesteryl linoleate(CE) transfer from donor HDL to acceptor LDL driven by recombinant human cholesteryl ester transfe...


Bioorg Med Chem Lett 6: 1951-1954 (1996)


Article DOI: 10.1016/0960-894X(96)00350-2
BindingDB Entry DOI: 10.7270/Q2Z89CCZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50287677
PNG
(CHEMBL56780 | Tetradecyl-phosphonic acid mono-fura...)
Show SMILES CCCCCCCCCCCCCCP(O)(=O)OCc1ccoc1
Show InChI InChI=1S/C19H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(20,21)23-18-19-14-15-22-17-19/h14-15,17H,2-13,16,18H2,1H3,(H,20,21)
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-cholesteryl linoleate(CE) transfer from donor HDL to acceptor LDL driven by recombinant human Cholesteryl ester transfe...


Bioorg Med Chem Lett 6: 1951-1954 (1996)


Article DOI: 10.1016/0960-894X(96)00350-2
BindingDB Entry DOI: 10.7270/Q2Z89CCZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50287674
PNG
(CHEMBL57042 | Tetradecyl-phosphonic acid mono-naph...)
Show SMILES CCCCCCCCCCCCCCP(O)(=O)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C24H37O3P/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-28(25,26)27-24-19-18-22-16-13-14-17-23(22)21-24/h13-14,16-19,21H,2-12,15,20H2,1H3,(H,25,26)
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n/an/a 2.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-cholesteryl linoleate(CE) transfer from donor HDL to acceptor LDL driven by recombinant human Cholesteryl ester transfe...


Bioorg Med Chem Lett 6: 1951-1954 (1996)


Article DOI: 10.1016/0960-894X(96)00350-2
BindingDB Entry DOI: 10.7270/Q2Z89CCZ
More data for this
Ligand-Target Pair