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Patent code US9968610

Compile Data Set for Download or QSAR
Found 15 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
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM280739
PNG
(US10030026, Compound LX-1 | US10221182, Compound L...)
Show SMILES FC(F)(F)c1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
Show InChI InChI=1S/C19H19F5N6/c20-18(21,12-1-3-13(4-2-12)19(22,23)24)10-30-7-5-14(6-8-30)28-16-15-9-27-29-17(15)26-11-25-16/h1-4,9,11,14H,5-8,10H2,(H2,25,26,27,28,29)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9968610 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM287604
PNG
(US9567341, Compound C-175 | US9968610, Compound C-...)
Show SMILES Fc1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H20F3N5/c20-14-3-1-13(2-4-14)19(21,22)11-27-9-6-15(7-10-27)26-18-16-5-8-23-17(16)24-12-25-18/h1-5,8,12,15H,6-7,9-11H2,(H2,23,24,25,26)
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.30E+3n/an/an/an/an/an/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9968610 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM280739
PNG
(US10030026, Compound LX-1 | US10221182, Compound L...)
Show SMILES FC(F)(F)c1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
Show InChI InChI=1S/C19H19F5N6/c20-18(21,12-1-3-13(4-2-12)19(22,23)24)10-30-7-5-14(6-8-30)28-16-15-9-27-29-17(15)26-11-25-16/h1-4,9,11,14H,5-8,10H2,(H2,25,26,27,28,29)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
The assay was performed on hERG channel stably expressed in HEK293 cells. The cells were cultured at 37 C. in a humidified CO2 incubator in the grow...


US Patent US9968610 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM287604
PNG
(US9567341, Compound C-175 | US9968610, Compound C-...)
Show SMILES Fc1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H20F3N5/c20-14-3-1-13(2-4-14)19(21,22)11-27-9-6-15(7-10-27)26-18-16-5-8-23-17(16)24-12-25-18/h1-5,8,12,15H,6-7,9-11H2,(H2,23,24,25,26)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
The assay was performed on hERG channel stably expressed in HEK293 cells. The cells were cultured at 37 C. in a humidified CO2 incubator in the grow...


US Patent US9968610 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM393497
PNG
(US9968610, Compound C-179)
Show SMILES FC(F)[H]c1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C20H22F4N5/c21-19(22)30-15-3-1-13(2-4-15)20(23,24)11-29-9-6-14(7-10-29)28-18-16-5-8-25-17(16)26-12-27-18/h1-5,8,12,14,19H,6-7,9-11H2,(H2,25,26,27,28)
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US Patent
n/an/a 4.90E+3n/an/an/an/an/an/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9968610 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM287596
PNG
(US9567341, Compound C-127 | US9968610, Compound C-...)
Show SMILES FC(F)(F)c1ccc(cn1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H19F5N6/c20-18(21,12-1-2-15(26-9-12)19(22,23)24)10-30-7-4-13(5-8-30)29-17-14-3-6-25-16(14)27-11-28-17/h1-3,6,9,11,13H,4-5,7-8,10H2,(H2,25,27,28,29)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
The assay was performed on hERG channel stably expressed in HEK293 cells. The cells were cultured at 37 C. in a humidified CO2 incubator in the grow...


US Patent US9968610 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM287602
PNG
(US9567341, Compound C-178 | US9968610, Compound C-...)
Show SMILES FC(F)(F)c1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C20H20F5N5/c21-19(22,13-1-3-14(4-2-13)20(23,24)25)11-30-9-6-15(7-10-30)29-18-16-5-8-26-17(16)27-12-28-18/h1-5,8,12,15H,6-7,9-11H2,(H2,26,27,28,29)
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PC cid
PC sid
UniChem
US Patent
n/an/a 6.70E+3n/an/an/an/an/an/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9968610 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM287587
PNG
(US9567341, Compound C-3 | US9968610, Compound C-3)
Show SMILES FC(F)(CN1CCC(CC1)Nc1ncnc2[nH]ccc12)c1ccc(Cl)cn1
Show InChI InChI=1S/C18H19ClF2N6/c19-12-1-2-15(23-9-12)18(20,21)10-27-7-4-13(5-8-27)26-17-14-3-6-22-16(14)24-11-25-17/h1-3,6,9,11,13H,4-5,7-8,10H2,(H2,22,24,25,26)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
The assay was performed on hERG channel stably expressed in HEK293 cells. The cells were cultured at 37 C. in a humidified CO2 incubator in the grow...


US Patent US9968610 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM287589
PNG
(US9567341, Compound C-5 | US9968610, Compound C-5)
Show SMILES FC(F)(F)c1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H19F5N6/c20-18(21,15-2-1-12(9-26-15)19(22,23)24)10-30-7-4-13(5-8-30)29-17-14-3-6-25-16(14)27-11-28-17/h1-3,6,9,11,13H,4-5,7-8,10H2,(H2,25,27,28,29)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
The assay was performed on hERG channel stably expressed in HEK293 cells. The cells were cultured at 37 C. in a humidified CO2 incubator in the grow...


US Patent US9968610 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM287596
PNG
(US9567341, Compound C-127 | US9968610, Compound C-...)
Show SMILES FC(F)(F)c1ccc(cn1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H19F5N6/c20-18(21,12-1-2-15(26-9-12)19(22,23)24)10-30-7-4-13(5-8-30)29-17-14-3-6-25-16(14)27-11-28-17/h1-3,6,9,11,13H,4-5,7-8,10H2,(H2,25,27,28,29)
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PC sid
UniChem
US Patent
n/an/a 1.10E+4n/an/an/an/an/an/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9968610 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM287588
PNG
(US9567341, Compound C-4 | US9968610, Compound C-4)
Show SMILES Cc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H22F2N6/c1-13-2-3-16(23-10-13)19(20,21)11-27-8-5-14(6-9-27)26-18-15-4-7-22-17(15)24-12-25-18/h2-4,7,10,12,14H,5-6,8-9,11H2,1H3,(H2,22,24,25,26)
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n/an/a 1.14E+4n/an/an/an/an/an/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
The assay was performed on hERG channel stably expressed in HEK293 cells. The cells were cultured at 37 C. in a humidified CO2 incubator in the grow...


US Patent US9968610 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM287587
PNG
(US9567341, Compound C-3 | US9968610, Compound C-3)
Show SMILES FC(F)(CN1CCC(CC1)Nc1ncnc2[nH]ccc12)c1ccc(Cl)cn1
Show InChI InChI=1S/C18H19ClF2N6/c19-12-1-2-15(23-9-12)18(20,21)10-27-7-4-13(5-8-27)26-17-14-3-6-22-16(14)24-11-25-17/h1-3,6,9,11,13H,4-5,7-8,10H2,(H2,22,24,25,26)
PDB

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20E+4n/an/an/an/an/an/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9968610 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM287594
PNG
(US9567341, Compound C-230 | US9968610, Compound C-...)
Show SMILES Cc1cnc(cn1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H21F2N7/c1-12-8-23-15(9-22-12)18(19,20)10-27-6-3-13(4-7-27)26-17-14-2-5-21-16(14)24-11-25-17/h2,5,8-9,11,13H,3-4,6-7,10H2,1H3,(H2,21,24,25,26)
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n/an/a 1.38E+4n/an/an/an/an/an/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
The assay was performed on hERG channel stably expressed in HEK293 cells. The cells were cultured at 37 C. in a humidified CO2 incubator in the grow...


US Patent US9968610 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM287597
PNG
(US9567341, Compound C-128 | US9968610, Compound C-...)
Show SMILES Cc1ccc(cn1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H22F2N6/c1-13-2-3-14(10-23-13)19(20,21)11-27-8-5-15(6-9-27)26-18-16-4-7-22-17(16)24-12-25-18/h2-4,7,10,12,15H,5-6,8-9,11H2,1H3,(H2,22,24,25,26)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
The assay was performed on hERG channel stably expressed in HEK293 cells. The cells were cultured at 37 C. in a humidified CO2 incubator in the grow...


US Patent US9968610 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM287589
PNG
(US9567341, Compound C-5 | US9968610, Compound C-5)
Show SMILES FC(F)(F)c1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H19F5N6/c20-18(21,15-2-1-12(9-26-15)19(22,23)24)10-30-7-4-13(5-8-30)29-17-14-3-6-25-16(14)27-11-28-17/h1-3,6,9,11,13H,4-5,7-8,10H2,(H2,25,27,28,29)
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UniChem
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n/an/a 3.30E+4n/an/an/an/an/an/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9968610 (2018)

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