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Compile Data Set for Download or QSAR

Found 141 hits with Last Name = 'blaustein' and Initial = 'ro'   
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))
BDBM50348226
PNG
(CHEMBL1800622)
Show SMILES COc1ccc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C30H26F9NO3/c1-15(2)17-5-8-25(42-4)24(12-17)23-7-6-20(28(31,32)33)11-19(23)14-40-16(3)26(43-27(40)41)18-9-21(29(34,35)36)13-22(10-18)30(37,38)39/h5-13,15-16,26H,14H2,1-4H3/t16-,26-/m0/s1
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein using exogenous LDL and ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578772
PNG
(CHEMBL4873416)
Show SMILES COc1ccc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein using exogenous LDL and ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578733
PNG
(CHEMBL4875851)
Show SMILES C[C@H]1[C@H](OC(=O)N1Cc1cc(ccc1-c1cc(ccc1Cl)-c1ccc(cc1C)C(O)=O)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578733
PNG
(CHEMBL4875851)
Show SMILES C[C@H]1[C@H](OC(=O)N1Cc1cc(ccc1-c1cc(ccc1Cl)-c1ccc(cc1C)C(O)=O)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein using exogenous LDL and ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50348228
PNG
(CHEMBL1800807)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein using exogenous LDL and ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM264531
PNG
((7R)-7-[3,5- bis(trifluoromethyl)phenyl]- 4-{[4'-f...)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1CN1C(=O)O[C@H](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C11CC1)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C31H25F10NO3/c1-15(2)22-12-23(25(44-3)13-24(22)32)21-5-4-18(29(33,34)35)10-17(21)14-42-27(43)45-26(28(42)6-7-28)16-8-19(30(36,37)38)11-20(9-16)31(39,40)41/h4-5,8-13,15,26H,6-7,14H2,1-3H3/t26-/m1/s1
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578756
PNG
(CHEMBL4876430)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(Cl)cc(Cl)c1)N(C)C)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578737
PNG
(CHEMBL4852134)
Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138247
PNG
(US8871738, 30)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cccc(c1)C(F)(F)F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C30H26F7NO3/c1-15(2)20-13-22(26(40-3)14-23(20)31)19-8-7-18(30(35,36)37)12-21(19)24-9-10-25-27(41-28(39)38(24)25)16-5-4-6-17(11-16)29(32,33)34/h4-8,11-15,24-25,27H,9-10H2,1-3H3/t24-,25-,27+/m0/s1
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578735
PNG
(CHEMBL4853626)
Show SMILES COc1ccc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50348226
PNG
(CHEMBL1800622)
Show SMILES COc1ccc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C30H26F9NO3/c1-15(2)17-5-8-25(42-4)24(12-17)23-7-6-20(28(31,32)33)11-19(23)14-40-16(3)26(43-27(40)41)18-9-21(29(34,35)36)13-22(10-18)30(37,38)39/h5-13,15-16,26H,14H2,1-4H3/t16-,26-/m0/s1
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578754
PNG
(CHEMBL4856008)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(Cl)cc(c1)C(F)(F)F)N(C)C)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578770
PNG
(CHEMBL4859118)
Show SMILES COc1ccc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccccc1C |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein using exogenous LDL and ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578742
PNG
(CHEMBL4854376)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N(C)C)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578767
PNG
(CHEMBL4876714)
Show SMILES CC(C)c1cc(c(Cl)cc1F)-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein using exogenous LDL and ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578736
PNG
(CHEMBL4852538)
Show SMILES COc1ncc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578748
PNG
(CHEMBL4848688)
Show SMILES CCc1ncc(c(CN2[C@@H](C)[C@H](OC2=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1)-c1cc(ccc1OC)-c1ccc(cc1C)C(O)=O |r|
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Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578769
PNG
(CHEMBL4875002)
Show SMILES COc1ccc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccccc1F |r|
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Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein using exogenous LDL and ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50348228
PNG
(CHEMBL1800807)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578743
PNG
(CHEMBL4846106)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCC1)-c1ccc(cc1C)C(O)=O |r|
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Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578749
PNG
(CHEMBL4851648)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(C)(F)F)-c1ccc(cc1C)C(O)=O |r|
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Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578755
PNG
(CHEMBL4855182)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(F)cc(c1)C(F)(F)F)N(C)C)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578734
PNG
(CHEMBL4867412)
Show SMILES COc1ccc(cc1-c1cnc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578750
PNG
(CHEMBL4870761)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cccc(c1)C(F)(F)F)N(C)C)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138244
PNG
(US8871738, 27)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(C)cc(c1)C(F)(F)F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C31H28F7NO3/c1-15(2)21-13-23(27(41-4)14-24(21)32)20-6-5-18(30(33,34)35)12-22(20)25-7-8-26-28(42-29(40)39(25)26)17-9-16(3)10-19(11-17)31(36,37)38/h5-6,9-15,25-26,28H,7-8H2,1-4H3/t25-,26-,28+/m0/s1
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578740
PNG
(CHEMBL4864055)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138245
PNG
(US8871738, 28)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(F)cc(c1)C(F)(F)F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C30H25F8NO3/c1-14(2)20-12-22(26(41-3)13-23(20)32)19-5-4-16(29(33,34)35)11-21(19)24-6-7-25-27(42-28(40)39(24)25)15-8-17(30(36,37)38)10-18(31)9-15/h4-5,8-14,24-25,27H,6-7H2,1-3H3/t24-,25-,27+/m0/s1
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578747
PNG
(CHEMBL4878757)
Show SMILES COc1ncc(c(CN2[C@@H](C)[C@H](OC2=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1)-c1cc(ccc1OC)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578776
PNG
(CHEMBL4858285)
Show SMILES COc1ccc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein using exogenous LDL and ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578738
PNG
(CHEMBL4864315)
Show SMILES COc1ncc(cc1-c1cc(c(OC)nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138222
PNG
(US8871738, 5)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C31H25F10NO3/c1-14(2)20-12-22(26(44-3)13-23(20)32)19-5-4-16(29(33,34)35)11-21(19)24-6-7-25-27(45-28(43)42(24)25)15-8-17(30(36,37)38)10-18(9-15)31(39,40)41/h4-5,8-14,24-25,27H,6-7H2,1-3H3/t24-,25-,27+/m0/s1
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578744
PNG
(CHEMBL4872545)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578745
PNG
(CHEMBL4850473)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCCC1)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138250
PNG
(US8871738, 33 | US8871738, 42)
Show SMILES COc1cc(F)c(cc1-c1cnc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N(C)C)C(C)C |r|
Show InChI InChI=1S/C31H30F7N3O3/c1-15(2)19-11-21(26(43-5)13-23(19)32)22-14-39-27(40(3)4)12-20(22)24-6-7-25-28(44-29(42)41(24)25)16-8-17(30(33,34)35)10-18(9-16)31(36,37)38/h8-15,24-25,28H,6-7H2,1-5H3/t24-,25-,28+/m0/s1
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578753
PNG
(CHEMBL4860733)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cccc(Cl)c1)N(C)C)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578751
PNG
(CHEMBL4864066)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cccc(OC(F)(F)F)c1)N(C)C)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578739
PNG
(CHEMBL4874956)
Show SMILES COc1ncc(cc1-c1cnc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578759
PNG
(CHEMBL4860491)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1ccnc(c1)C(F)(F)F)N(C)C)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578741
PNG
(CHEMBL4855936)
Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138249
PNG
(US8871738, 32)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(Cl)cc(c1)C(F)(F)F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C30H25ClF7NO3/c1-14(2)20-12-22(26(41-3)13-23(20)32)19-5-4-16(29(33,34)35)11-21(19)24-6-7-25-27(42-28(40)39(24)25)15-8-17(30(36,37)38)10-18(31)9-15/h4-5,8-14,24-25,27H,6-7H2,1-3H3/t24-,25-,27+/m0/s1
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578757
PNG
(CHEMBL4850005)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(F)cc(F)c1)N(C)C)-c1ccc(cc1C)C(O)=O |r|
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Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578746
PNG
(CHEMBL4862077)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)-c1ccc(cc1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578762
PNG
(CHEMBL4862151)
Show SMILES [H][C@@]12CC[C@H](N1C(=O)S[C@@H]2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1cc(C(C)C)c(F)cc1OC)C(F)(F)F |r|
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Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138248
PNG
(US8871738, 31)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(Cl)cc(Cl)c1)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C29H25Cl2F4NO3/c1-14(2)20-12-22(26(38-3)13-23(20)32)19-5-4-16(29(33,34)35)10-21(19)24-6-7-25-27(39-28(37)36(24)25)15-8-17(30)11-18(31)9-15/h4-5,8-14,24-25,27H,6-7H2,1-3H3/t24-,25-,27+/m0/s1
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n/an/a 213n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578758
PNG
(CHEMBL4847619)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cncc(c1)C(F)(F)F)N(C)C)-c1ccc(cc1C)C(O)=O |r|
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TBA

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Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50578736
PNG
(CHEMBL4852538)
Show SMILES COc1ncc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
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Inhibition of [S35]-MK-0499 binding to human ERG expressed in HEK293 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138254
PNG
(US8871738, 37)
Show SMILES COc1cc(F)c(cc1-c1ccc(F)cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C30H25F8NO3/c1-14(2)20-12-22(26(41-3)13-23(20)32)19-5-4-18(31)11-21(19)24-6-7-25-27(42-28(40)39(24)25)15-8-16(29(33,34)35)10-17(9-15)30(36,37)38/h4-5,8-14,24-25,27H,6-7H2,1-3H3/t24-,25-,27+/m0/s1
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Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50552210
PNG
(CHEMBL4776253)
Show SMILES [H][C@@]12CC[C@H](N1S(=O)(=O)N[C@@H]2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1cc(C(C)C)c(F)cc1OC)C(F)(F)F |r|
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Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578768
PNG
(CHEMBL4850728)
Show SMILES COc1ccc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccccc1 |r|
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Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein using exogenous LDL and ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578766
PNG
(CHEMBL4849128)
Show SMILES [H][C@@]12CC[C@H](C1=NO[C@@H]2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1cc(C(C)C)c(F)cc1OC)C(F)(F)F |r,c:6|
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TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
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