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Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'o''connell' and Initial = 'jc'   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50581660
PNG
(CHEMBL1714813)
Show SMILES COc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01949
BindingDB Entry DOI: 10.7270/Q2154MXQ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
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 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376718
PNG
(CHEMBL261502)
Show SMILES Cc1c(Cl)ccc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(ccc3o2)C#N)c1C
Show InChI InChI=1S/C24H18ClN3O3/c1-14-15(2)21(10-8-19(14)25)30-13-23(29)27-18-6-4-17(5-7-18)24-28-20-11-16(12-26)3-9-22(20)31-24/h3-11H,13H2,1-2H3,(H,27,29)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376712
PNG
(CHEMBL259502)
Show SMILES Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2o1)C#N
Show InChI InChI=1S/C23H16BrN3O3/c1-14-10-17(24)5-9-20(14)29-13-22(28)26-18-6-3-16(4-7-18)23-27-19-11-15(12-25)2-8-21(19)30-23/h2-11H,13H2,1H3,(H,26,28)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376713
PNG
(CHEMBL259710)
Show SMILES Clc1ccc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(ccc3o2)C#N)c2CCCc12
Show InChI InChI=1S/C25H18ClN3O3/c26-20-9-11-22(19-3-1-2-18(19)20)31-14-24(30)28-17-7-5-16(6-8-17)25-29-21-12-15(13-27)4-10-23(21)32-25/h4-12H,1-3,14H2,(H,28,30)
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376719
PNG
(CHEMBL258795)
Show SMILES FC(F)(F)c1cc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(ccc3o2)C#N)ccc1Cl
Show InChI InChI=1S/C23H13ClF3N3O3/c24-18-7-6-16(10-17(18)23(25,26)27)32-12-21(31)29-15-4-2-14(3-5-15)22-30-19-9-13(11-28)1-8-20(19)33-22/h1-10H,12H2,(H,29,31)
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376711
PNG
(CHEMBL259503)
Show SMILES COC(=O)c1c(Cl)ccc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(ccc3o2)C#N)c1C
Show InChI InChI=1S/C25H18ClN3O5/c1-14-20(10-8-18(26)23(14)25(31)32-2)33-13-22(30)28-17-6-4-16(5-7-17)24-29-19-11-15(12-27)3-9-21(19)34-24/h3-11H,13H2,1-2H3,(H,28,30)
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376693
PNG
(CHEMBL409318)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccc(F)cc2C)cc1
Show InChI InChI=1S/C24H21FN2O3/c1-14-10-16(3)23-20(11-14)27-24(30-23)17-4-7-19(8-5-17)26-22(28)13-29-21-9-6-18(25)12-15(21)2/h4-12H,13H2,1-3H3,(H,26,28)
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376694
PNG
(CHEMBL261062)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccc(Br)cc2C)cc1
Show InChI InChI=1S/C24H21BrN2O3/c1-14-10-16(3)23-20(11-14)27-24(30-23)17-4-7-19(8-5-17)26-22(28)13-29-21-9-6-18(25)12-15(21)2/h4-12H,13H2,1-3H3,(H,26,28)
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n/an/a 31n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
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 36n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50581659
PNG
(CHEMBL4519023 | US20230339952, Comparative Compoun...)
Show SMILES COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(c3)C(F)(F)F)c2cc1O[C@H]1CCOC1 |r|
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n/an/a 36n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SOS1-mediated proliferation of human DLD-1 cells assessed as proliferation incubated for 5 to 14 days by AlamarBlue based 3D proliferat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01949
BindingDB Entry DOI: 10.7270/Q2154MXQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376715
PNG
(CHEMBL264963)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccc(Cl)c(C)c2C)cc1
Show InChI InChI=1S/C25H23ClN2O3/c1-14-11-15(2)24-21(12-14)28-25(31-24)18-5-7-19(8-6-18)27-23(29)13-30-22-10-9-20(26)16(3)17(22)4/h5-12H,13H2,1-4H3,(H,27,29)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376716
PNG
(CHEMBL264964)
Show SMILES COC(=O)c1c(Cl)ccc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(C)cc(C)c3o2)c1C
Show InChI InChI=1S/C26H23ClN2O5/c1-14-11-15(2)24-20(12-14)29-25(34-24)17-5-7-18(8-6-17)28-22(30)13-33-21-10-9-19(27)23(16(21)3)26(31)32-4/h5-12H,13H2,1-4H3,(H,28,30)
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n/an/a 42n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376724
PNG
(CHEMBL407147)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(Cl)cc([N+]([O-])=O)c2o1
Show InChI InChI=1S/C22H16ClN3O5/c1-13-4-2-3-5-19(13)30-12-20(27)24-16-8-6-14(7-9-16)22-25-17-10-15(23)11-18(26(28)29)21(17)31-22/h2-11H,12H2,1H3,(H,24,27)
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n/an/a 49n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376721
PNG
(CHEMBL408221)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(cc(Cl)c2o1)C#N
Show InChI InChI=1S/C23H16ClN3O3/c1-14-4-2-3-5-20(14)29-13-21(28)26-17-8-6-16(7-9-17)23-27-19-11-15(12-25)10-18(24)22(19)30-23/h2-11H,13H2,1H3,(H,26,28)
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n/an/a 52n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376720
PNG
(CHEMBL265420)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccc(Cl)c3CCCc23)cc1
Show InChI InChI=1S/C26H23ClN2O3/c1-15-12-16(2)25-22(13-15)29-26(32-25)17-6-8-18(9-7-17)28-24(30)14-31-23-11-10-21(27)19-4-3-5-20(19)23/h6-13H,3-5,14H2,1-2H3,(H,28,30)
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n/an/a 56n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50238385
PNG
(CHEMBL260546 | N-(4-(5-cyanobenzo[d]oxazol-2-yl)ph...)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2o1)C#N
Show InChI InChI=1S/C23H17N3O3/c1-15-4-2-3-5-20(15)28-14-22(27)25-18-9-7-17(8-10-18)23-26-19-12-16(13-24)6-11-21(19)29-23/h2-12H,14H2,1H3,(H,25,27)
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n/an/a 57n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376714
PNG
(CHEMBL258793)
Show SMILES Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2o1)C#N
Show InChI InChI=1S/C23H16ClN3O3/c1-14-10-17(24)5-9-20(14)29-13-22(28)26-18-6-3-16(4-7-18)23-27-19-11-15(12-25)2-8-21(19)30-23/h2-11H,13H2,1H3,(H,26,28)
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n/an/a 85n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376717
PNG
(CHEMBL409693)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccc(C)c3CCCc23)cc1
Show InChI InChI=1S/C27H26N2O3/c1-16-13-18(3)26-23(14-16)29-27(32-26)19-8-10-20(11-9-19)28-25(30)15-31-24-12-7-17(2)21-5-4-6-22(21)24/h7-14H,4-6,15H2,1-3H3,(H,28,30)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376656
PNG
(CHEMBL260326)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(Cl)cc(Cl)c2o1
Show InChI InChI=1S/C22H16Cl2N2O3/c1-13-4-2-3-5-19(13)28-12-20(27)25-16-8-6-14(7-9-16)22-26-18-11-15(23)10-17(24)21(18)29-22/h2-11H,12H2,1H3,(H,25,27)
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n/an/a 88n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376722
PNG
(CHEMBL260324)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(cc(c2o1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H16F6N2O3/c1-13-4-2-3-5-19(13)34-12-20(33)31-16-8-6-14(7-9-16)22-32-18-11-15(23(25,26)27)10-17(21(18)35-22)24(28,29)30/h2-11H,12H2,1H3,(H,31,33)
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n/an/a 92n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376695
PNG
(CHEMBL261274)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1
Show InChI InChI=1S/C24H21ClN2O3/c1-14-10-16(3)23-20(11-14)27-24(30-23)17-4-7-19(8-5-17)26-22(28)13-29-21-9-6-18(25)12-15(21)2/h4-12H,13H2,1-3H3,(H,26,28)
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n/an/a 96n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376725
PNG
(CHEMBL260201)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(Cl)cc(Br)c2o1
Show InChI InChI=1S/C22H16BrClN2O3/c1-13-4-2-3-5-19(13)28-12-20(27)25-16-8-6-14(7-9-16)22-26-18-11-15(24)10-17(23)21(18)29-22/h2-11H,12H2,1H3,(H,25,27)
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n/an/a 97n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376696
PNG
(CHEMBL263124)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccc(Cl)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H18ClF3N2O3/c1-13-9-14(2)22-20(10-13)30-23(33-22)15-3-5-16(6-4-15)29-21(31)12-32-17-7-8-19(25)18(11-17)24(26,27)28/h3-11H,12H2,1-2H3,(H,29,31)
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376660
PNG
(CHEMBL261273)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2o1)[N+]([O-])=O
Show InChI InChI=1S/C22H17N3O5/c1-14-4-2-3-5-19(14)29-13-21(26)23-16-8-6-15(7-9-16)22-24-18-12-17(25(27)28)10-11-20(18)30-22/h2-12H,13H2,1H3,(H,23,26)
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376697
PNG
(CHEMBL262868)
Show SMILES Cc1ccc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(C)cc(C)c3o2)c(C)c1
Show InChI InChI=1S/C25H24N2O3/c1-15-5-10-22(17(3)11-15)29-14-23(28)26-20-8-6-19(7-9-20)25-27-21-13-16(2)12-18(4)24(21)30-25/h5-13H,14H2,1-4H3,(H,26,28)
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n/an/a 140n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376698
PNG
(CHEMBL412103)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C23H18Cl2N2O3/c1-13-9-14(2)22-20(10-13)27-23(30-22)15-3-5-16(6-4-15)26-21(28)12-29-17-7-8-18(24)19(25)11-17/h3-11H,12H2,1-2H3,(H,26,28)
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376700
PNG
(CHEMBL410073)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccccc2OC(F)(F)F)cc1
Show InChI InChI=1S/C24H19F3N2O4/c1-14-11-15(2)22-18(12-14)29-23(32-22)16-7-9-17(10-8-16)28-21(30)13-31-19-5-3-4-6-20(19)33-24(25,26)27/h3-12H,13H2,1-2H3,(H,28,30)
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376679
PNG
(CHEMBL409257)
Show SMILES COC(=O)c1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(C)cc(C)c2o1
Show InChI InChI=1S/C25H22N2O5/c1-15-12-16(2)23-20(13-15)27-24(32-23)17-8-10-18(11-9-17)26-22(28)14-31-21-7-5-4-6-19(21)25(29)30-3/h4-13H,14H2,1-3H3,(H,26,28)
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n/an/a 220n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376677
PNG
(CHEMBL405800)
Show SMILES Cc1ccc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(C)cc(C)c3o2)cc1
Show InChI InChI=1S/C24H22N2O3/c1-15-4-10-20(11-5-15)28-14-22(27)25-19-8-6-18(7-9-19)24-26-21-13-16(2)12-17(3)23(21)29-24/h4-13H,14H2,1-3H3,(H,25,27)
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n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376657
PNG
(CHEMBL410916)
Show SMILES CC(=O)c1cc(C)cc2nc(oc12)-c1ccc(NC(=O)COc2ccccc2C)cc1
Show InChI InChI=1S/C25H22N2O4/c1-15-12-20(17(3)28)24-21(13-15)27-25(31-24)18-8-10-19(11-9-18)26-23(29)14-30-22-7-5-4-6-16(22)2/h4-13H,14H2,1-3H3,(H,26,29)
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n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376658
PNG
(CHEMBL428258)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccccc2C)cc1
Show InChI InChI=1S/C24H22N2O3/c1-15-12-17(3)23-20(13-15)26-24(29-23)18-8-10-19(11-9-18)25-22(27)14-28-21-7-5-4-6-16(21)2/h4-13H,14H2,1-3H3,(H,25,27)
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n/an/a 280n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376680
PNG
(CHEMBL408730)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H19ClN2O3/c1-14-11-15(2)22-20(12-14)26-23(29-22)16-3-7-18(8-4-16)25-21(27)13-28-19-9-5-17(24)6-10-19/h3-12H,13H2,1-2H3,(H,25,27)
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n/an/a 380n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376727
PNG
(CHEMBL261496)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(Br)ccc2o1
Show InChI InChI=1S/C22H17BrN2O3/c1-14-4-2-3-5-19(14)27-13-21(26)24-17-9-6-15(7-10-17)22-25-18-12-16(23)8-11-20(18)28-22/h2-12H,13H2,1H3,(H,24,26)
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n/an/a 440n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50238420
PNG
(CHEMBL261275 | N-(4-(5-chlorobenzo[d]oxazol-2-yl)p...)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C22H17ClN2O3/c1-14-4-2-3-5-19(14)27-13-21(26)24-17-9-6-15(7-10-17)22-25-18-12-16(23)8-11-20(18)28-22/h2-12H,13H2,1H3,(H,24,26)
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n/an/a 470n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376661
PNG
(CHEMBL263125)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2o1)C(F)(F)F
Show InChI InChI=1S/C23H17F3N2O3/c1-14-4-2-3-5-19(14)30-13-21(29)27-17-9-6-15(7-10-17)22-28-18-12-16(23(24,25)26)8-11-20(18)31-22/h2-12H,13H2,1H3,(H,27,29)
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n/an/a 590n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376678
PNG
(CHEMBL260973)
Show SMILES Cc1cccc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(C)cc(C)c3o2)c1
Show InChI InChI=1S/C24H22N2O3/c1-15-5-4-6-20(12-15)28-14-22(27)25-19-9-7-18(8-10-19)24-26-21-13-16(2)11-17(3)23(21)29-24/h4-13H,14H2,1-3H3,(H,25,27)
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n/an/a 690n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376682
PNG
(CHEMBL428785)
Show SMILES CC(C)c1cccc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(C)cc(C)c3o2)c1
Show InChI InChI=1S/C26H26N2O3/c1-16(2)20-6-5-7-22(14-20)30-15-24(29)27-21-10-8-19(9-11-21)26-28-23-13-17(3)12-18(4)25(23)31-26/h5-14,16H,15H2,1-4H3,(H,27,29)
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n/an/a 900n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376718
PNG
(CHEMBL261502)
Show SMILES Cc1c(Cl)ccc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(ccc3o2)C#N)c1C
Show InChI InChI=1S/C24H18ClN3O3/c1-14-15(2)21(10-8-19(14)25)30-13-23(29)27-18-6-4-17(5-7-18)24-28-20-11-16(12-26)3-9-22(20)31-24/h3-11H,13H2,1-2H3,(H,27,29)
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n/an/a 910n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376683
PNG
(CHEMBL406347)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2cccc(F)c2)cc1
Show InChI InChI=1S/C23H19FN2O3/c1-14-10-15(2)22-20(11-14)26-23(29-22)16-6-8-18(9-7-16)25-21(27)13-28-19-5-3-4-17(24)12-19/h3-12H,13H2,1-2H3,(H,25,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376664
PNG
(CHEMBL260011)
Show SMILES Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)COc2ccccc2C)cc1
Show InChI InChI=1S/C23H20N2O3/c1-15-7-12-21-19(13-15)25-23(28-21)17-8-10-18(11-9-17)24-22(26)14-27-20-6-4-3-5-16(20)2/h3-13H,14H2,1-2H3,(H,24,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376662
PNG
(CHEMBL263126)
Show SMILES CC(=O)c1ccc2oc(nc2c1)-c1ccc(NC(=O)COc2ccccc2C)cc1
Show InChI InChI=1S/C24H20N2O4/c1-15-5-3-4-6-21(15)29-14-23(28)25-19-10-7-17(8-11-19)24-26-20-13-18(16(2)27)9-12-22(20)30-24/h3-13H,14H2,1-2H3,(H,25,28)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376728
PNG
(CHEMBL263388)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(CO)ccc2o1
Show InChI InChI=1S/C23H20N2O4/c1-15-4-2-3-5-20(15)28-14-22(27)24-18-9-7-17(8-10-18)23-25-19-12-16(13-26)6-11-21(19)29-23/h2-12,26H,13-14H2,1H3,(H,24,27)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376711
PNG
(CHEMBL259503)
Show SMILES COC(=O)c1c(Cl)ccc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(ccc3o2)C#N)c1C
Show InChI InChI=1S/C25H18ClN3O5/c1-14-20(10-8-18(26)23(14)25(31)32-2)33-13-22(30)28-17-6-4-16(5-7-17)24-29-19-11-15(12-27)3-9-21(19)34-24/h3-11H,13H2,1-2H3,(H,28,30)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376681
PNG
(CHEMBL261504)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C23H19ClN2O3/c1-14-10-15(2)22-20(11-14)26-23(29-22)16-6-8-18(9-7-16)25-21(27)13-28-19-5-3-4-17(24)12-19/h3-12H,13H2,1-2H3,(H,25,27)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376715
PNG
(CHEMBL264963)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccc(Cl)c(C)c2C)cc1
Show InChI InChI=1S/C25H23ClN2O3/c1-14-11-15(2)24-21(12-14)28-25(31-24)18-5-7-19(8-6-18)27-23(29)13-30-22-10-9-20(26)16(3)17(22)4/h5-12H,13H2,1-4H3,(H,27,29)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376726
PNG
(CHEMBL262593)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cccc(C)c2o1
Show InChI InChI=1S/C23H20N2O3/c1-15-6-3-4-9-20(15)27-14-21(26)24-18-12-10-17(11-13-18)23-25-19-8-5-7-16(2)22(19)28-23/h3-13H,14H2,1-2H3,(H,24,26)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376703
PNG
(CHEMBL259801)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C24H19F3N2O3/c1-14-11-15(2)22-19(12-14)29-23(32-22)16-7-9-17(10-8-16)28-21(30)13-31-20-6-4-3-5-18(20)24(25,26)27/h3-12H,13H2,1-2H3,(H,28,30)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376736
PNG
(CHEMBL258962)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2o1)-c1ccccc1
Show InChI InChI=1S/C28H22N2O3/c1-19-7-5-6-10-25(19)32-18-27(31)29-23-14-11-21(12-15-23)28-30-24-17-22(13-16-26(24)33-28)20-8-3-2-4-9-20/h2-17H,18H2,1H3,(H,29,31)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376701
PNG
(CHEMBL260265)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H24N2O3/c1-19-15-20(2)28-26(16-19)31-29(34-28)22-11-13-24(14-12-22)30-27(32)18-33-25-10-6-9-23(17-25)21-7-4-3-5-8-21/h3-17H,18H2,1-2H3,(H,30,32)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
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