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Patent code US9150583

Compile Data Set for Download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM184568
PNG
(US9150583, 5)
Show SMILES CC(C)c1nc2[C@H](O)C3(CC3)C[C@H](O)c2c2c1[C@H](OC21CCOCC1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H30F3NO4/c1-14(2)21-19-20(18-17(32)13-25(7-8-25)24(33)22(18)31-21)26(9-11-34-12-10-26)35-23(19)15-3-5-16(6-4-15)27(28,29)30/h3-6,14,17,23-24,32-33H,7-13H2,1-2H3/t17-,23+,24-/m0/s1
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US Patent
n/an/a 9n/an/an/an/an/a37



Boehringer Ingelheim International GmbH

US Patent


Assay Description
CETP inhibitory activity of compounds of the present invention can be determined in a fluorometric assay purchased from Roar Biomedical, Inc. (New Yo...


US Patent US9150583 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B5V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM184566
PNG
(US9150583, 3)
Show SMILES COc1cc(ccc1C(F)(F)F)[C@H]1OC2(CCOCC2)c2c1c(nc1CC3(CC3)C[C@H](O)c21)C(C)C |r|
Show InChI InChI=1S/C28H32F3NO4/c1-15(2)24-22-23(21-18(32-24)13-26(6-7-26)14-19(21)33)27(8-10-35-11-9-27)36-25(22)16-4-5-17(28(29,30)31)20(12-16)34-3/h4-5,12,15,19,25,33H,6-11,13-14H2,1-3H3/t19-,25+/m0/s1
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US Patent
n/an/a 11n/an/an/an/an/a37



Boehringer Ingelheim International GmbH

US Patent


Assay Description
CETP inhibitory activity of compounds of the present invention can be determined in a fluorometric assay purchased from Roar Biomedical, Inc. (New Yo...


US Patent US9150583 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B5V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM184570
PNG
(US9150583, 7)
Show SMILES COc1cc(ccc1C(F)(F)F)[C@H]1OC2(CCOCC2)c2c1c(nc1[C@H](O)C3(CC3)C[C@H](O)c21)C(C)C |r|
Show InChI InChI=1S/C28H32F3NO5/c1-14(2)22-20-21(19-17(33)13-26(6-7-26)25(34)23(19)32-22)27(8-10-36-11-9-27)37-24(20)15-4-5-16(28(29,30)31)18(12-15)35-3/h4-5,12,14,17,24-25,33-34H,6-11,13H2,1-3H3/t17-,24+,25-/m0/s1
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US Patent
n/an/a 11n/an/an/an/an/a37



Boehringer Ingelheim International GmbH

US Patent


Assay Description
CETP inhibitory activity of compounds of the present invention can be determined in a fluorometric assay purchased from Roar Biomedical, Inc. (New Yo...


US Patent US9150583 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B5V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM184564
PNG
(US9150583, 1)
Show SMILES CC(C)c1nc2CC3(CC3)C[C@H](O)c2c2c1[C@H](OC21CCOCC1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H30F3NO3/c1-15(2)23-21-22(20-18(31-23)13-25(7-8-25)14-19(20)32)26(9-11-33-12-10-26)34-24(21)16-3-5-17(6-4-16)27(28,29)30/h3-6,15,19,24,32H,7-14H2,1-2H3/t19-,24+/m0/s1
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US Patent
n/an/a 15n/an/an/an/an/a37



Boehringer Ingelheim International GmbH

US Patent


Assay Description
CETP inhibitory activity of compounds of the present invention can be determined in a fluorometric assay purchased from Roar Biomedical, Inc. (New Yo...


US Patent US9150583 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B5V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM184565
PNG
(US9150583, 2)
Show SMILES CC(C)c1nc2CC3(CC3)C[C@H](O)c2c2c1[C@H](OC21CCOCC1)c1ccc(c(c1)C#N)C(F)(F)F |r|
Show InChI InChI=1S/C28H29F3N2O3/c1-15(2)24-22-23(21-19(33-24)12-26(5-6-26)13-20(21)34)27(7-9-35-10-8-27)36-25(22)16-3-4-18(28(29,30)31)17(11-16)14-32/h3-4,11,15,20,25,34H,5-10,12-13H2,1-2H3/t20-,25+/m0/s1
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n/an/a 18n/an/an/an/an/a37



Boehringer Ingelheim International GmbH

US Patent


Assay Description
CETP inhibitory activity of compounds of the present invention can be determined in a fluorometric assay purchased from Roar Biomedical, Inc. (New Yo...


US Patent US9150583 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B5V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM184569
PNG
(US9150583, 6)
Show SMILES CC(C)c1nc2[C@H](O)C3(CC3)C[C@H](O)c2c2c1[C@H](OC21CCOCC1)c1ccc(c(c1)C#N)C(F)(F)F |r|
Show InChI InChI=1S/C28H29F3N2O4/c1-14(2)22-20-21(19-18(34)12-26(5-6-26)25(35)23(19)33-22)27(7-9-36-10-8-27)37-24(20)15-3-4-17(28(29,30)31)16(11-15)13-32/h3-4,11,14,18,24-25,34-35H,5-10,12H2,1-2H3/t18-,24+,25-/m0/s1
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US Patent
n/an/a 43n/an/an/an/an/a37



Boehringer Ingelheim International GmbH

US Patent


Assay Description
CETP inhibitory activity of compounds of the present invention can be determined in a fluorometric assay purchased from Roar Biomedical, Inc. (New Yo...


US Patent US9150583 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B5V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM184567
PNG
(US9150583, 4)
Show SMILES CC(C)c1nc2CC3(CC3)C[C@H](O)c2c2c1[C@H](OC21CCOCC1)c1ccc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C26H29F3N2O3/c1-14(2)22-20-21(19-16(31-22)11-24(5-6-24)12-17(19)32)25(7-9-33-10-8-25)34-23(20)15-3-4-18(30-13-15)26(27,28)29/h3-4,13-14,17,23,32H,5-12H2,1-2H3/t17-,23+/m0/s1
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n/an/a 90n/an/an/an/an/a37



Boehringer Ingelheim International GmbH

US Patent


Assay Description
CETP inhibitory activity of compounds of the present invention can be determined in a fluorometric assay purchased from Roar Biomedical, Inc. (New Yo...


US Patent US9150583 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B5V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM184571
PNG
(US9150583, 8)
Show SMILES CC(C)c1nc2[C@H](O)C3(CC3)C[C@H](O)c2c2c1[C@H](OC21CCOCC1)c1ccc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C26H29F3N2O4/c1-13(2)20-18-19(17-15(32)11-24(5-6-24)23(33)21(17)31-20)25(7-9-34-10-8-25)35-22(18)14-3-4-16(30-12-14)26(27,28)29/h3-4,12-13,15,22-23,32-33H,5-11H2,1-2H3/t15-,22+,23-/m0/s1
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US Patent
n/an/a 210n/an/an/an/an/a37



Boehringer Ingelheim International GmbH

US Patent


Assay Description
CETP inhibitory activity of compounds of the present invention can be determined in a fluorometric assay purchased from Roar Biomedical, Inc. (New Yo...


US Patent US9150583 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B5V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%