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Compile Data Set for Download or QSAR

Found 257 hits with Last Name = 'abu sheikha' and Initial = 'g'   
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


(Oryctolagus cuniculus)
BDBM50118064
PNG
(1,1,1-Trifluoro-3-{(3-fluoro-phenyl)-[3-(3-trifluo...)
Show SMILES OC(CN(Cc1cccc(Oc2cccc(c2)C(F)(F)F)c1)c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C23H18F7NO2/c24-17-6-3-7-18(12-17)31(14-21(32)23(28,29)30)13-15-4-1-8-19(10-15)33-20-9-2-5-16(11-20)22(25,26)27/h1-12,21,32H,13-14H2
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n/an/a 1.20n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128137
PNG
((R)-3-((3-(3-ethylphenoxy)phenyl)(3-(1,1,2,2-tetra...)
Show SMILES CCc1cccc(Oc2cccc(c2)N(C[C@@H](O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)c1
Show InChI InChI=1S/C26H24F7NO3/c1-2-17-6-3-9-20(12-17)36-21-10-5-8-19(14-21)34(16-23(35)25(29,30)31)15-18-7-4-11-22(13-18)37-26(32,33)24(27)28/h3-14,23-24,35H,2,15-16H2,1H3/t23-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128131
PNG
((R)-3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-...)
Show SMILES CCc1cc(Oc2cccc(c2)N(C[C@@H](O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)ccc1Cl
Show InChI InChI=1S/C26H23ClF7NO3/c1-2-17-12-20(9-10-22(17)27)37-19-7-4-6-18(13-19)35(15-23(36)25(30,31)32)14-16-5-3-8-21(11-16)38-26(33,34)24(28)29/h3-13,23-24,36H,2,14-15H2,1H3/t23-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128129
PNG
((R)-1,1,1-trifluoro-3-((3-(1,1,2,2-tetrafluoroetho...)
Show SMILES Cc1ccc(Oc2cccc(c2)N(C[C@@H](O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)cc1
Show InChI InChI=1S/C25H22F7NO3/c1-16-8-10-19(11-9-16)35-20-6-3-5-18(13-20)33(15-22(34)24(28,29)30)14-17-4-2-7-21(12-17)36-25(31,32)23(26)27/h2-13,22-23,34H,14-15H2,1H3/t22-/m1/s1
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n/an/a 8.10n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128170
PNG
((R)-1,1,1-trifluoro-3-((3-(3-isopropylphenoxy)phen...)
Show SMILES CC(C)c1cccc(Oc2cccc(c2)N(C[C@@H](O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)c1
Show InChI InChI=1S/C27H26F7NO3/c1-17(2)19-7-4-9-21(13-19)37-22-10-5-8-20(14-22)35(16-24(36)26(30,31)32)15-18-6-3-11-23(12-18)38-27(33,34)25(28)29/h3-14,17,24-25,36H,15-16H2,1-2H3/t24-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128175
PNG
(1,1,1-Trifluoro-3-{[3-(3-isopropyl-phenoxy)-phenyl...)
Show SMILES CC(C)c1cccc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)c1
Show InChI InChI=1S/C27H26F7NO3/c1-17(2)19-7-4-9-21(13-19)37-22-10-5-8-20(14-22)35(16-24(36)26(30,31)32)15-18-6-3-11-23(12-18)38-27(33,34)25(28)29/h3-14,17,24-25,36H,15-16H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50094519
PNG
((R)-1,1,1-Trifluoro-3-{(3-phenoxy-phenyl)-[3-(1,1,...)
Show SMILES O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C24H20F7NO3/c25-22(26)24(30,31)35-20-11-4-6-16(12-20)14-32(15-21(33)23(27,28)29)17-7-5-10-19(13-17)34-18-8-2-1-3-9-18/h1-13,21-22,33H,14-15H2/t21-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128135
PNG
(3-((3-(2,3-dichlorophenoxy)phenyl)(3-(1,1,2,2-tetr...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(Cl)c2Cl)c1)C(F)(F)F
Show InChI InChI=1S/C24H18Cl2F7NO3/c25-18-8-3-9-19(21(18)26)36-16-6-2-5-15(11-16)34(13-20(35)23(29,30)31)12-14-4-1-7-17(10-14)37-24(32,33)22(27)28/h1-11,20,22,35H,12-13H2
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n/an/a 30n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128164
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-chlo...)
Show SMILES CCc1cc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)ccc1Cl
Show InChI InChI=1S/C26H23ClF7NO3/c1-2-17-12-20(9-10-22(17)27)37-19-7-4-6-18(13-19)35(15-23(36)25(30,31)32)14-16-5-3-8-21(11-16)38-26(33,34)24(28)29/h3-13,23-24,36H,2,14-15H2,1H3
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n/an/a 30n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128141
PNG
(1,1,1-Trifluoro-3-{[3-(4-fluoro-phenoxy)-phenyl]-[...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(F)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C24H19F8NO3/c25-16-7-9-18(10-8-16)35-19-5-2-4-17(12-19)33(14-21(34)23(28,29)30)13-15-3-1-6-20(11-15)36-24(31,32)22(26)27/h1-12,21-22,34H,13-14H2
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n/an/a 30n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128154
PNG
(1,1,1-Trifluoro-3-{[3-(1,1,2,2-tetrafluoro-ethoxy)...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(OC(F)(F)F)c2)c1)C(F)(F)F
Show InChI InChI=1S/C25H19F10NO4/c26-22(27)24(31,32)39-19-8-1-4-15(10-19)13-36(14-21(37)23(28,29)30)16-5-2-6-17(11-16)38-18-7-3-9-20(12-18)40-25(33,34)35/h1-12,21-22,37H,13-14H2
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n/an/a 30n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128161
PNG
((R)-3-((3-(4-chloro-3-ethylphenoxy)phenyl)(3-(trif...)
Show SMILES CCc1cc(Oc2cccc(c2)N(C[C@@H](O)C(F)(F)F)Cc2cccc(OC(F)(F)F)c2)ccc1Cl
Show InChI InChI=1S/C25H22ClF6NO3/c1-2-17-12-20(9-10-22(17)26)35-19-7-4-6-18(13-19)33(15-23(34)24(27,28)29)14-16-5-3-8-21(11-16)36-25(30,31)32/h3-13,23,34H,2,14-15H2,1H3/t23-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128160
PNG
((R)-3-((3-(4-chloro-3-ethylphenoxy)phenyl)(2-fluor...)
Show SMILES CCc1cc(Oc2cccc(c2)N(C[C@@H](O)C(F)(F)F)Cc2ccc(cc2F)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C25H21ClF7NO2/c1-2-15-10-20(8-9-21(15)26)36-19-5-3-4-18(12-19)34(14-23(35)25(31,32)33)13-16-6-7-17(11-22(16)27)24(28,29)30/h3-12,23,35H,2,13-14H2,1H3/t23-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128140
PNG
((R)-3-((3-(4-chloro-3-ethylphenoxy)phenyl)(3-(perf...)
Show SMILES CCc1cc(Oc2cccc(c2)N(C[C@@H](O)C(F)(F)F)Cc2cccc(c2)C(F)(F)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C26H22ClF8NO2/c1-2-17-12-21(9-10-22(17)27)38-20-8-4-7-19(13-20)36(15-23(37)25(30,31)32)14-16-5-3-6-18(11-16)24(28,29)26(33,34)35/h3-13,23,37H,2,14-15H2,1H3/t23-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16735
PNG
(N-(2-{4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-1...)
Show SMILES O[C@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H35N3O2/c40-35(29-13-5-2-6-14-29)20-21-38-22-24-39(25-23-38)34-19-18-30(27-10-3-1-4-11-27)26-33(34)37-36(41)32-17-9-15-28-12-7-8-16-31(28)32/h1-19,26,35,40H,20-25H2,(H,37,41)/t35-/m1/s1
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KEGG

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n/an/a 46n/an/an/an/an/an/a



Applied Science University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 after 2 hrs by FRET assay


Bioorg Med Chem 18: 3088-115 (2010)


Article DOI: 10.1016/j.bmc.2010.03.043
BindingDB Entry DOI: 10.7270/Q2ZG6SFR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128142
PNG
((R)-3-((3-(4-chloro-3-ethylphenoxy)phenyl)(2-fluor...)
Show SMILES CCc1cc(Oc2cccc(c2)N(C[C@@H](O)C(F)(F)F)Cc2cc(ccc2F)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C25H21ClF7NO2/c1-2-15-11-20(7-8-21(15)26)36-19-5-3-4-18(12-19)34(14-23(35)25(31,32)33)13-16-10-17(24(28,29)30)6-9-22(16)27/h3-12,23,35H,2,13-14H2,1H3/t23-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128146
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(3-ethy...)
Show SMILES CCc1cccc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)c1
Show InChI InChI=1S/C26H24F7NO3/c1-2-17-6-3-9-20(12-17)36-21-10-5-8-19(14-21)34(16-23(35)25(29,30)31)15-18-7-4-11-22(13-18)37-26(32,33)24(27)28/h3-14,23-24,35H,2,15-16H2,1H3
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n/an/a 60n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128176
PNG
(1,1,1-Trifluoro-3-{[3-(1,1,2,2-tetrafluoro-ethoxy)...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCc2cccc(OC(F)(F)F)c2)c1)C(F)(F)F
Show InChI InChI=1S/C26H21F10NO4/c27-23(28)25(32,33)40-20-8-1-4-16(10-20)13-37(14-22(38)24(29,30)31)18-6-3-7-19(12-18)39-15-17-5-2-9-21(11-17)41-26(34,35)36/h1-12,22-23,38H,13-15H2
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n/an/a 60n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16733
PNG
(4-[1-(5-Amino)-pentyl]-1-{4-(phenyl)-2-[(naphthale...)
Show SMILES NCCCCCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C32H36N4O/c33-18-7-2-8-19-35-20-22-36(23-21-35)31-17-16-27(25-10-3-1-4-11-25)24-30(31)34-32(37)29-15-9-13-26-12-5-6-14-28(26)29/h1,3-6,9-17,24H,2,7-8,18-23,33H2,(H,34,37)
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n/an/a 68n/an/an/an/an/an/a



Applied Science University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 after 2 hrs by FRET assay


Bioorg Med Chem 18: 3088-115 (2010)


Article DOI: 10.1016/j.bmc.2010.03.043
BindingDB Entry DOI: 10.7270/Q2ZG6SFR
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16734
PNG
(N-(2-{4-[(3S)-3-hydroxy-3-phenylpropyl]piperazin-1...)
Show SMILES O[C@@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H35N3O2/c40-35(29-13-5-2-6-14-29)20-21-38-22-24-39(25-23-38)34-19-18-30(27-10-3-1-4-11-27)26-33(34)37-36(41)32-17-9-15-28-12-7-8-16-31(28)32/h1-19,26,35,40H,20-25H2,(H,37,41)/t35-/m0/s1
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n/an/a 69n/an/an/an/an/an/a



Applied Science University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 after 2 hrs by FRET assay


Bioorg Med Chem 18: 3088-115 (2010)


Article DOI: 10.1016/j.bmc.2010.03.043
BindingDB Entry DOI: 10.7270/Q2ZG6SFR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128136
PNG
(3-((3-(3,5-dimethylphenoxy)phenyl)(3-(1,1,2,2-tetr...)
Show SMILES Cc1cc(C)cc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)c1
Show InChI InChI=1S/C26H24F7NO3/c1-16-9-17(2)11-22(10-16)36-20-7-4-6-19(13-20)34(15-23(35)25(29,30)31)14-18-5-3-8-21(12-18)37-26(32,33)24(27)28/h3-13,23-24,35H,14-15H2,1-2H3
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n/an/a 70n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16727
PNG
(N-{5-bromo-2-[4-(2-hydroxyethyl)piperazin-1-yl]phe...)
Show SMILES OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H24BrN3O2/c24-18-8-9-22(27-12-10-26(11-13-27)14-15-28)21(16-18)25-23(29)20-7-3-5-17-4-1-2-6-19(17)20/h1-9,16,28H,10-15H2,(H,25,29)
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n/an/a 79n/an/an/an/an/an/a



Applied Science University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 after 2 hrs by FRET assay


Bioorg Med Chem 18: 3088-115 (2010)


Article DOI: 10.1016/j.bmc.2010.03.043
BindingDB Entry DOI: 10.7270/Q2ZG6SFR
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16736
PNG
(N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naph...)
Show SMILES O=C(Nc1cc(ccc1N1CCN(CC1)C(=O)c1ccccc1)-c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C34H29N3O2/c38-33(30-17-9-15-26-12-7-8-16-29(26)30)35-31-24-28(25-10-3-1-4-11-25)18-19-32(31)36-20-22-37(23-21-36)34(39)27-13-5-2-6-14-27/h1-19,24H,20-23H2,(H,35,38)
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n/an/a 79n/an/an/an/an/an/a



Applied Science University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 after 2 hrs by FRET assay


Bioorg Med Chem 18: 3088-115 (2010)


Article DOI: 10.1016/j.bmc.2010.03.043
BindingDB Entry DOI: 10.7270/Q2ZG6SFR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128156
PNG
(3-((3-(3,4-dichlorophenoxy)phenyl)(3-(1,1,2,2-tetr...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(Cl)c(Cl)c2)c1)C(F)(F)F
Show InChI InChI=1S/C24H18Cl2F7NO3/c25-19-8-7-17(11-20(19)26)36-16-5-2-4-15(10-16)34(13-21(35)23(29,30)31)12-14-3-1-6-18(9-14)37-24(32,33)22(27)28/h1-11,21-22,35H,12-13H2
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n/an/a 80n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128185
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(3-ethy...)
Show SMILES CCc1cc(C)cc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)c1
Show InChI InChI=1S/C27H26F7NO3/c1-3-18-10-17(2)11-23(12-18)37-21-8-5-7-20(14-21)35(16-24(36)26(30,31)32)15-19-6-4-9-22(13-19)38-27(33,34)25(28)29/h4-14,24-25,36H,3,15-16H2,1-2H3
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n/an/a 80n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128169
PNG
(1,1,1-Trifluoro-3-{[3-(4-fluoro-3-methyl-phenoxy)-...)
Show SMILES Cc1cc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)ccc1F
Show InChI InChI=1S/C25H21F8NO3/c1-15-10-19(8-9-21(15)26)36-18-6-3-5-17(12-18)34(14-22(35)24(29,30)31)13-16-4-2-7-20(11-16)37-25(32,33)23(27)28/h2-12,22-23,35H,13-14H2,1H3
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n/an/a 80n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128167
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(3,4-di...)
Show SMILES Cc1ccc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)cc1C
Show InChI InChI=1S/C26H24F7NO3/c1-16-9-10-21(11-17(16)2)36-20-7-4-6-19(13-20)34(15-23(35)25(29,30)31)14-18-5-3-8-22(12-18)37-26(32,33)24(27)28/h3-13,23-24,35H,14-15H2,1-2H3
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n/an/a 80n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128152
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(3-tert...)
Show SMILES CC(C)(C)c1cccc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)c1
Show InChI InChI=1S/C28H28F7NO3/c1-26(2,3)19-8-5-10-21(14-19)38-22-11-6-9-20(15-22)36(17-24(37)27(31,32)33)16-18-7-4-12-23(13-18)39-28(34,35)25(29)30/h4-15,24-25,37H,16-17H2,1-3H3
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n/an/a 80n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128143
PNG
(1,1,1-Trifluoro-3-[[3-(1,1,2,2-tetrafluoro-ethoxy)...)
Show SMILES Cc1cccc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)c1
Show InChI InChI=1S/C25H22F7NO3/c1-16-5-2-8-19(11-16)35-20-9-4-7-18(13-20)33(15-22(34)24(28,29)30)14-17-6-3-10-21(12-17)36-25(31,32)23(26)27/h2-13,22-23,34H,14-15H2,1H3
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n/an/a 90n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128166
PNG
(1,1,1-Trifluoro-3-{[3-(1,1,2,2-tetrafluoro-ethoxy)...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc3CCCCc3c2)c1)C(F)(F)F
Show InChI InChI=1S/C28H26F7NO3/c29-26(30)28(34,35)39-24-10-3-5-18(13-24)16-36(17-25(37)27(31,32)33)21-8-4-9-22(15-21)38-23-12-11-19-6-1-2-7-20(19)14-23/h3-5,8-15,25-26,37H,1-2,6-7,16-17H2
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n/an/a 90n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16731
PNG
(Naphthyl Compound, 5b | ethyl 2-{4-[2-(naphthalene...)
Show SMILES CCOC(=O)CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C31H31N3O3/c1-2-37-30(35)22-33-17-19-34(20-18-33)29-16-15-25(23-9-4-3-5-10-23)21-28(29)32-31(36)27-14-8-12-24-11-6-7-13-26(24)27/h3-16,21H,2,17-20,22H2,1H3,(H,32,36)
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n/an/a 90n/an/an/an/an/an/a



Applied Science University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 after 2 hrs by FRET assay


Bioorg Med Chem 18: 3088-115 (2010)


Article DOI: 10.1016/j.bmc.2010.03.043
BindingDB Entry DOI: 10.7270/Q2ZG6SFR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128139
PNG
(1,1,1-Trifluoro-3-{[3-(1,1,2,2-tetrafluoro-ethoxy)...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCc2cccc(c2)C(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C26H21F10NO3/c27-23(28)26(35,36)40-21-9-2-4-16(11-21)13-37(14-22(38)25(32,33)34)19-7-3-8-20(12-19)39-15-17-5-1-6-18(10-17)24(29,30)31/h1-12,22-23,38H,13-15H2
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n/an/a 90n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128168
PNG
(1,1,1-Trifluoro-3-[[3-(1,1,2,2-tetrafluoro-ethoxy)...)
Show SMILES Cc1ccc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)cc1
Show InChI InChI=1S/C25H22F7NO3/c1-16-8-10-19(11-9-16)35-20-6-3-5-18(13-20)33(15-22(34)24(28,29)30)14-17-4-2-7-21(12-17)36-25(31,32)23(26)27/h2-13,22-23,34H,14-15H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128162
PNG
(1,1,1-Trifluoro-3-{[3-(1,1,2,2-tetrafluoro-ethoxy)...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(cc2)C(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C25H19F10NO3/c26-22(27)25(34,35)39-20-6-1-3-15(11-20)13-36(14-21(37)24(31,32)33)17-4-2-5-19(12-17)38-18-9-7-16(8-10-18)23(28,29)30/h1-12,21-22,37H,13-14H2
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n/an/a 100n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128153
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(2,3-di...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(F)c2F)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F9NO3/c25-18-8-3-9-19(21(18)26)36-16-6-2-5-15(11-16)34(13-20(35)23(29,30)31)12-14-4-1-7-17(10-14)37-24(32,33)22(27)28/h1-11,20,22,35H,12-13H2
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n/an/a 100n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128148
PNG
(1,1,1-Trifluoro-3-{[3-(3-fluoro-2-nitro-phenoxy)-p...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(F)c2[N+]([O-])=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F8N2O5/c25-18-8-3-9-19(21(18)34(36)37)38-16-6-2-5-15(11-16)33(13-20(35)23(28,29)30)12-14-4-1-7-17(10-14)39-24(31,32)22(26)27/h1-11,20,22,35H,12-13H2
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n/an/a 100n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16732
PNG
(1-{4-(Phenyl)-2-[(naphthalene-1-carbonyl)-amino]-p...)
Show SMILES O=C(Nc1cc(ccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1)-c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C40H38N4O3/c45-38(33-19-11-15-30-14-5-6-16-32(30)33)41-36-28-31(29-12-3-1-4-13-29)20-21-37(36)43-26-24-42(25-27-43)22-9-2-10-23-44-39(46)34-17-7-8-18-35(34)40(44)47/h1,3-8,11-21,28H,2,9-10,22-27H2,(H,41,45)
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n/an/a 100n/an/an/an/an/an/a



Applied Science University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 after 2 hrs by FRET assay


Bioorg Med Chem 18: 3088-115 (2010)


Article DOI: 10.1016/j.bmc.2010.03.043
BindingDB Entry DOI: 10.7270/Q2ZG6SFR
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16730
PNG
(N-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylph...)
Show SMILES OCCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C29H29N3O2/c33-20-19-31-15-17-32(18-16-31)28-14-13-24(22-7-2-1-3-8-22)21-27(28)30-29(34)26-12-6-10-23-9-4-5-11-25(23)26/h1-14,21,33H,15-20H2,(H,30,34)
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n/an/a 110n/an/an/an/an/an/a



Applied Science University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 after 2 hrs by FRET assay


Bioorg Med Chem 18: 3088-115 (2010)


Article DOI: 10.1016/j.bmc.2010.03.043
BindingDB Entry DOI: 10.7270/Q2ZG6SFR
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16749
PNG
(Coumarin Compound, 11c | N-[2-(4-benzylpiperazin-1...)
Show SMILES O=C(Nc1cc(ccc1N1CCN(Cc2ccccc2)CC1)-c1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C33H29N3O3/c37-32(28-21-27-13-7-8-14-31(27)39-33(28)38)34-29-22-26(25-11-5-2-6-12-25)15-16-30(29)36-19-17-35(18-20-36)23-24-9-3-1-4-10-24/h1-16,21-22H,17-20,23H2,(H,34,37)
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n/an/a 151n/an/an/an/an/an/a



Applied Science University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 after 2 hrs by FRET assay


Bioorg Med Chem 18: 3088-115 (2010)


Article DOI: 10.1016/j.bmc.2010.03.043
BindingDB Entry DOI: 10.7270/Q2ZG6SFR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128138
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(benzyl...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C25H22F7NO3/c26-23(27)25(31,32)36-21-11-4-8-18(12-21)14-33(15-22(34)24(28,29)30)19-9-5-10-20(13-19)35-16-17-6-2-1-3-7-17/h1-13,22-23,34H,14-16H2
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n/an/a 200n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128177
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(cycloh...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCC2CCCCC2)c1)C(F)(F)F
Show InChI InChI=1S/C25H28F7NO3/c26-23(27)25(31,32)36-21-11-4-8-18(12-21)14-33(15-22(34)24(28,29)30)19-9-5-10-20(13-19)35-16-17-6-2-1-3-7-17/h4-5,8-13,17,22-23,34H,1-3,6-7,14-16H2
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n/an/a 200n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50320489
PNG
(1-isopropyl-2-methyl-4-(3-(4,5,5-trimethyl-1-(3-(2...)
Show SMILES CC(C)c1ccc(Cc2cccc(c2)C(CC(C)C(C)(C)C)Cc2cccc(CC(C)(C)C(C)C)c2)cc1C
Show InChI InChI=1S/C39H56/c1-27(2)37-19-18-33(20-29(37)5)22-31-15-13-17-35(24-31)36(21-30(6)38(7,8)9)25-32-14-12-16-34(23-32)26-39(10,11)28(3)4/h12-20,23-24,27-28,30,36H,21-22,25-26H2,1-11H3
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n/an/a 200n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128184
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(3-(dim...)
Show SMILES CN(C)c1cccc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)c1
Show InChI InChI=1S/C26H25F7N2O3/c1-34(2)18-7-4-9-20(13-18)37-21-10-5-8-19(14-21)35(16-23(36)25(29,30)31)15-17-6-3-11-22(12-17)38-26(32,33)24(27)28/h3-14,23-24,36H,15-16H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128132
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(3,5-di...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cc(F)cc(F)c2)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F9NO3/c25-15-8-16(26)10-20(9-15)36-18-5-2-4-17(11-18)34(13-21(35)23(29,30)31)12-14-3-1-6-19(7-14)37-24(32,33)22(27)28/h1-11,21-22,35H,12-13H2
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n/an/a 200n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128155
PNG
(1,1,1-Trifluoro-3-{[3-(4-propyl-phenoxy)-phenyl]-[...)
Show SMILES CCCc1ccc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)cc1
Show InChI InChI=1S/C27H26F7NO3/c1-2-5-18-10-12-21(13-11-18)37-22-8-4-7-20(15-22)35(17-24(36)26(30,31)32)16-19-6-3-9-23(14-19)38-27(33,34)25(28)29/h3-4,6-15,24-25,36H,2,5,16-17H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128165
PNG
(1,1,1-Trifluoro-3-{[3-(1,1,2,2-tetrafluoro-ethoxy)...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(c2)C(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C25H19F10NO3/c26-22(27)25(34,35)39-20-9-1-4-15(10-20)13-36(14-21(37)24(31,32)33)17-6-3-8-19(12-17)38-18-7-2-5-16(11-18)23(28,29)30/h1-12,21-22,37H,13-14H2
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n/an/a 200n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128173
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-chlo...)
Show SMILES Cc1cc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)ccc1Cl
Show InChI InChI=1S/C25H21ClF7NO3/c1-15-10-19(8-9-21(15)26)36-18-6-3-5-17(12-18)34(14-22(35)24(29,30)31)13-16-4-2-7-20(11-16)37-25(32,33)23(27)28/h2-12,22-23,35H,13-14H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50094513
PNG
(1,1,1-Trifluoro-3-{(3-phenoxy-phenyl)-[3-(1,1,2,2-...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C24H20F7NO3/c25-22(26)24(30,31)35-20-11-4-6-16(12-20)14-32(15-21(33)23(27,28)29)17-7-5-10-19(13-17)34-18-8-2-1-3-9-18/h1-13,21-22,33H,14-15H2
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n/an/a 200n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16729
PNG
(N-[5-phenyl-2-(piperazin-1-yl)phenyl]naphthalene-1...)
Show SMILES O=C(Nc1cc(ccc1N1CCNCC1)-c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C27H25N3O/c31-27(24-12-6-10-21-9-4-5-11-23(21)24)29-25-19-22(20-7-2-1-3-8-20)13-14-26(25)30-17-15-28-16-18-30/h1-14,19,28H,15-18H2,(H,29,31)
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n/an/a 300n/an/an/an/an/an/a



Applied Science University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 after 2 hrs by FRET assay


Bioorg Med Chem 18: 3088-115 (2010)


Article DOI: 10.1016/j.bmc.2010.03.043
BindingDB Entry DOI: 10.7270/Q2ZG6SFR
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Oryctolagus cuniculus)
BDBM50128183
PNG
(1,1,1-Trifluoro-3-{(3-isopropoxy-phenyl)-[3-(1,1,2...)
Show SMILES CC(C)Oc1cccc(c1)N(CC(O)C(F)(F)F)Cc1cccc(OC(F)(F)C(F)F)c1
Show InChI InChI=1S/C21H22F7NO3/c1-13(2)31-16-7-4-6-15(10-16)29(12-18(30)20(24,25)26)11-14-5-3-8-17(9-14)32-21(27,28)19(22)23/h3-10,13,18-19,30H,11-12H2,1-2H3
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n/an/a 300n/an/an/an/an/an/a



Al-Zaytoonah Private University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay


Eur J Med Chem 45: 1598-617 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.070
BindingDB Entry DOI: 10.7270/Q2VQ32VS
More data for this
Ligand-Target Pair
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