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Patent code US9611232

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
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens)
BDBM314248
PNG
(US9611232, Example 13)
Show SMILES NC(=O)CN1[C@@H](c2ccccc2F)C(OC1=O)(c1ccccc1F)c1ccccc1F
Show InChI InChI=1S/C23H17F3N2O3/c24-17-10-4-1-7-14(17)21-23(15-8-2-5-11-18(15)25,16-9-3-6-12-19(16)26)31-22(30)28(21)13-20(27)29/h1-12,21H,13H2,(H2,27,29)/t21-/m0/s1
PDB

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US Patent
n/an/a 15n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compounds were tested using a PatchXpress® (Model 7000A, Molecular Devices, Union City Calif.) on CHO cells over-expressing h KCa3.1 at ChanTest Corp...


US Patent US9611232 (2017)

More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens)
BDBM314285
PNG
(US9611232, Example 17)
Show SMILES NC(=O)CN1[C@@H](c2ccccc2F)C(OC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H19FN2O3/c24-19-14-8-7-13-18(19)21-23(16-9-3-1-4-10-16,17-11-5-2-6-12-17)29-22(28)26(21)15-20(25)27/h1-14,21H,15H2,(H2,25,27)/t21-/m0/s1
PDB

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US Patent
n/an/a 15n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compounds were tested using a PatchXpress® (Model 7000A, Molecular Devices, Union City Calif.) on CHO cells over-expressing h KCa3.1 at ChanTest Corp...


US Patent US9611232 (2017)

More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens)
BDBM314217
PNG
(US9611232, Example 11)
Show SMILES NC(=O)CN1[C@@H](c2ccccc2F)C(OC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H17F3N2O3/c24-16-9-5-14(6-10-16)23(15-7-11-17(25)12-8-15)21(18-3-1-2-4-19(18)26)28(13-20(27)29)22(30)31-23/h1-12,21H,13H2,(H2,27,29)/t21-/m0/s1
PDB

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n/an/a 22n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compounds were tested using a PatchXpress® (Model 7000A, Molecular Devices, Union City Calif.) on CHO cells over-expressing h KCa3.1 at ChanTest Corp...


US Patent US9611232 (2017)

More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens)
BDBM314284
PNG
(US9611232, Example 15)
Show SMILES NC(=O)CN1[C@@H](c2ccccc2F)C(OC1=O)(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C23H17F3N2O3/c24-16-7-3-5-14(11-16)23(15-6-4-8-17(25)12-15)21(18-9-1-2-10-19(18)26)28(13-20(27)29)22(30)31-23/h1-12,21H,13H2,(H2,27,29)/t21-/m0/s1
PDB

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n/an/a 42n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compounds were tested using a PatchXpress® (Model 7000A, Molecular Devices, Union City Calif.) on CHO cells over-expressing h KCa3.1 at ChanTest Corp...


US Patent US9611232 (2017)

More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens)
BDBM314215
PNG
(US9611232, Example 7)
Show SMILES NC(=O)CN1[C@@H](c2ccc(F)cc2)C(OC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H17F3N2O3/c24-17-7-1-14(2-8-17)21-23(15-3-9-18(25)10-4-15,16-5-11-19(26)12-6-16)31-22(30)28(21)13-20(27)29/h1-12,21H,13H2,(H2,27,29)/t21-/m0/s1
PDB

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n/an/a 45n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compounds were tested using a PatchXpress® (Model 7000A, Molecular Devices, Union City Calif.) on CHO cells over-expressing h KCa3.1 at ChanTest Corp...


US Patent US9611232 (2017)

More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens)
BDBM314198
PNG
((S)-2-(5,5-bis(4-fluorophenyl)-2-oxo-4-phenyloxazo...)
Show SMILES NC(=O)CN1[C@@H](c2ccccc2)C(OC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H18F2N2O3/c24-18-10-6-16(7-11-18)23(17-8-12-19(25)13-9-17)21(15-4-2-1-3-5-15)27(14-20(26)28)22(29)30-23/h1-13,21H,14H2,(H2,26,28)/t21-/m0/s1
PDB

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n/an/a 58n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compounds were tested using a PatchXpress® (Model 7000A, Molecular Devices, Union City Calif.) on CHO cells over-expressing h KCa3.1 at ChanTest Corp...


US Patent US9611232 (2017)

More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens)
BDBM314321
PNG
(US9611232, Example 32)
Show SMILES CCOC(=O)CN1[C@@H]([C@@H](OC1=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C20H17F4NO4/c1-2-28-16(26)11-25-17(12-6-8-15(21)9-7-12)18(29-19(25)27)13-4-3-5-14(10-13)20(22,23)24/h3-10,17-18H,2,11H2,1H3/t17-,18+/m1/s1
PDB

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n/an/a 62n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compounds were tested using a PatchXpress® (Model 7000A, Molecular Devices, Union City Calif.) on CHO cells over-expressing h KCa3.1 at ChanTest Corp...


US Patent US9611232 (2017)

More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens)
BDBM314288
PNG
(US9611232, Example 19)
Show SMILES NC(=O)CN1[C@@H](c2ccccc2Cl)C(OC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H17ClF2N2O3/c24-19-4-2-1-3-18(19)21-23(14-5-9-16(25)10-6-14,15-7-11-17(26)12-8-15)31-22(30)28(21)13-20(27)29/h1-12,21H,13H2,(H2,27,29)/t21-/m0/s1
PDB

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n/an/a 63n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compounds were tested using a PatchXpress® (Model 7000A, Molecular Devices, Union City Calif.) on CHO cells over-expressing h KCa3.1 at ChanTest Corp...


US Patent US9611232 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%