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Compile Data Set for Download or QSAR

Found 2377 hits with Last Name = 'emde' and Initial = 'u'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315599
PNG
((6-Chloro-3-methoxy- pyrazin-2-yl)-[4-fluoro- 3-(7...)
Show SMILES COc1ncc(Cl)nc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-24-22(30-20(25)12-27-24)23(32)14-2-5-18(26)17(10-14)21-16-4-3-15(11-19(16)28-13-29-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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<1.00E+4n/an/an/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315607
PNG
(US10172859, Example 33 | US11065253, Example 33 | ...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1cnccn1
Show InChI InChI=1S/C23H20FN5O2/c24-19-4-1-15(23(30)21-13-25-5-6-26-21)11-18(19)22-17-3-2-16(12-20(17)27-14-28-22)29-7-9-31-10-8-29/h1-6,11-14,23,30H,7-10H2
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<1.00E+4n/an/an/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315786
PNG
(US10172859, Example 208 | US10172859, Example 215 ...)
Show SMILES OC(c1nccs1)c1ccc(F)c(c1)-c1nc(nc2cc(ccc12)N1CCOCC1)C#C
Show InChI InChI=1S/C24H19FN4O2S/c1-2-21-27-20-14-16(29-8-10-31-11-9-29)4-5-17(20)22(28-21)18-13-15(3-6-19(18)25)23(30)24-26-7-12-32-24/h1,3-7,12-14,23,30H,8-11H2
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<1.00E+4n/an/an/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM316056
PNG
((3-bromo-pyridin-2- yl)-[4-fluoro-3-(7- morpholin-...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncccc1Br
Show InChI InChI=1S/C24H20BrFN4O2/c25-19-2-1-7-27-23(19)24(31)15-3-6-20(26)18(12-15)22-17-5-4-16(13-21(17)28-14-29-22)30-8-10-32-11-9-30/h1-7,12-14,24,31H,8-11H2
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315696
PNG
(US10172859, Example 120 | US11065253, Example 120 ...)
Show SMILES COc1ccc(cc1)C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C26H23F2N3O3/c1-33-18-5-2-16(3-6-18)26(32)21-13-20(22(27)14-23(21)28)25-19-7-4-17(12-24(19)29-15-30-25)31-8-10-34-11-9-31/h2-7,12-15,26,32H,8-11H2,1H3
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315700
PNG
(US10172859, Example 124 | US11065253, Example 124 ...)
Show SMILES COc1ccc(C(O)c2cc(c(F)cc2F)-c2ncnc3cc(ccc23)N2CCOCC2)c(F)c1
Show InChI InChI=1S/C26H22F3N3O3/c1-34-16-3-5-17(21(27)11-16)26(33)20-12-19(22(28)13-23(20)29)25-18-4-2-15(10-24(18)30-14-31-25)32-6-8-35-9-7-32/h2-5,10-14,26,33H,6-9H2,1H3
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<1.00E+4n/an/an/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315721
PNG
(US10172859, Example 142 | US11065253, Example 142 ...)
Show SMILES OCc1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H20ClFN4O3S/c24-18-9-19(25)17(8-16(18)22(31)23-28-13(10-30)11-33-23)21-15-2-1-14(7-20(15)26-12-27-21)29-3-5-32-6-4-29/h1-2,7-9,11-12,22,30-31H,3-6,10H2
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315738
PNG
(2,2,2-Trifluoro-1-[3- (7-morpholin-4-yl- quinazoli...)
Show SMILES OC(c1nccs1)(c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O2S/c24-23(25,26)22(31,21-27-6-11-33-21)16-3-1-2-15(12-16)20-18-5-4-17(13-19(18)28-14-29-20)30-7-9-32-10-8-30/h1-6,11-14,31H,7-10H2
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315750
PNG
(US10172859, Example 171 | US10172859, Example 178 ...)
Show SMILES OC(c1nccs1)c1cc(F)c(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C22H18F2N4O2S/c23-17-10-13(21(29)22-25-3-8-31-22)9-16(19(17)24)20-15-2-1-14(11-18(15)26-12-27-20)28-4-6-30-7-5-28/h1-3,8-12,21,29H,4-7H2
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315738
PNG
(2,2,2-Trifluoro-1-[3- (7-morpholin-4-yl- quinazoli...)
Show SMILES OC(c1nccs1)(c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O2S/c24-23(25,26)22(31,21-27-6-11-33-21)16-3-1-2-15(12-16)20-18-5-4-17(13-19(18)28-14-29-20)30-7-9-32-10-8-30/h1-6,11-14,31H,7-10H2
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315750
PNG
(US10172859, Example 171 | US10172859, Example 178 ...)
Show SMILES OC(c1nccs1)c1cc(F)c(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C22H18F2N4O2S/c23-17-10-13(21(29)22-25-3-8-31-22)9-16(19(17)24)20-15-2-1-14(11-18(15)26-12-27-20)28-4-6-30-7-5-28/h1-3,8-12,21,29H,4-7H2
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315759
PNG
(US10172859, Example 180 | US10172859, Example 188 ...)
Show SMILES OC(c1nccs1)c1cnc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C21H18FN5O2S/c22-20-16(9-13(11-24-20)19(28)21-23-3-8-30-21)18-15-2-1-14(10-17(15)25-12-26-18)27-4-6-29-7-5-27/h1-3,8-12,19,28H,4-7H2
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315760
PNG
(US10172859, Example 181 | US11065253, Example 181 ...)
Show SMILES Cc1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H20ClFN4O2S/c1-13-11-32-23(28-13)22(30)16-9-17(19(25)10-18(16)24)21-15-3-2-14(8-20(15)26-12-27-21)29-4-6-31-7-5-29/h2-3,8-12,22,30H,4-7H2,1H3
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US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315765
PNG
((R)-[2-Chloro-4- fluoro-5-(7- morpholin-4-yl- quin...)
Show SMILES OCc1csc(n1)[C@H](O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C23H20ClFN4O3S/c24-18-9-19(25)17(8-16(18)22(31)23-28-13(10-30)11-33-23)21-15-2-1-14(7-20(15)26-12-27-21)29-3-5-32-6-4-29/h1-2,7-9,11-12,22,30-31H,3-6,10H2/t22-/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315775
PNG
(US10172859, Example 197 | US11065253, Example 197 ...)
Show SMILES CC(C)n1cc(cn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H26FN5O2/c1-16(2)31-14-18(13-29-31)25(32)17-3-6-22(26)21(11-17)24-20-5-4-19(12-23(20)27-15-28-24)30-7-9-33-10-8-30/h3-6,11-16,25,32H,7-10H2,1-2H3
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315777
PNG
(4-[5-(Difluoro- methoxy-thiazol-2- ylmethyl)-2-flu...)
Show SMILES FC(F)OC(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H19F3N4O2S/c24-18-4-1-14(21(32-23(25)26)22-27-5-10-33-22)11-17(18)20-16-3-2-15(12-19(16)28-13-29-20)30-6-8-31-9-7-30/h1-5,10-13,21,23H,6-9H2
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US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315786
PNG
(US10172859, Example 208 | US10172859, Example 215 ...)
Show SMILES OC(c1nccs1)c1ccc(F)c(c1)-c1nc(nc2cc(ccc12)N1CCOCC1)C#C
Show InChI InChI=1S/C24H19FN4O2S/c1-2-21-27-20-14-16(29-8-10-31-11-9-29)4-5-17(20)22(28-21)18-13-15(3-6-19(18)25)23(30)24-26-7-12-32-24/h1,3-7,12-14,23,30H,8-11H2
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US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315863
PNG
(2-(4-Chlorothieno- [2,3-d}pyridazin-7-yl)- 2-[4-fl...)
Show SMILES NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nnc(Cl)c2ccsc12
Show InChI InChI=1S/C26H20ClFN6O2S/c27-25-17-5-10-37-24(17)23(32-33-25)21(26(29)35)14-1-4-19(28)18(11-14)22-16-3-2-15(12-20(16)30-13-31-22)34-6-8-36-9-7-34/h1-5,10-13,21H,6-9H2,(H2,29,35)
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US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315864
PNG
(2-(7-Chlorothieno- [2,3-d}pyridazin-4-yl)- 2-[4-fl...)
Show SMILES NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nnc(Cl)c2sccc12
Show InChI InChI=1S/C26H20ClFN6O2S/c27-25-24-17(5-10-37-24)23(32-33-25)21(26(29)35)14-1-4-19(28)18(11-14)22-16-3-2-15(12-20(16)30-13-31-22)34-6-8-36-9-7-34/h1-5,10-13,21H,6-9H2,(H2,29,35)
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315872
PNG
(2-[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)...)
Show SMILES NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12
Show InChI InChI=1S/C26H22FN7O2/c27-20-6-3-16(23(26(28)35)25-22-2-1-7-34(22)32-15-31-25)12-19(20)24-18-5-4-17(13-21(18)29-14-30-24)33-8-10-36-11-9-33/h1-7,12-15,23H,8-11H2,(H2,28,35)
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315882
PNG
(2-[2-Chloro-4-fluoro- 5-(7-morpholin-4-yl- quinazo...)
Show SMILES NC(=O)C(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12
Show InChI InChI=1S/C26H21ClFN7O2/c27-19-12-20(28)18(11-17(19)23(26(29)36)25-22-2-1-5-35(22)33-14-32-25)24-16-4-3-15(10-21(16)30-13-31-24)34-6-8-37-9-7-34/h1-5,10-14,23H,6-9H2,(H2,29,36)
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315863
PNG
(2-(4-Chlorothieno- [2,3-d}pyridazin-7-yl)- 2-[4-fl...)
Show SMILES NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nnc(Cl)c2ccsc12
Show InChI InChI=1S/C26H20ClFN6O2S/c27-25-17-5-10-37-24(17)23(32-33-25)21(26(29)35)14-1-4-19(28)18(11-14)22-16-3-2-15(12-20(16)30-13-31-22)34-6-8-36-9-7-34/h1-5,10-13,21H,6-9H2,(H2,29,35)
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Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM316006
PNG
(US10172859, Example 429 | US11065253, Example 429 ...)
Show SMILES OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2sccc12
Show InChI InChI=1S/C25H19ClFN5O2S/c26-19-11-20(27)18(10-17(19)24(33)23-16-3-8-35-25(16)31-13-30-23)22-15-2-1-14(9-21(15)28-12-29-22)32-4-6-34-7-5-32/h1-3,8-13,24,33H,4-7H2
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Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315938
PNG
(US10172859, Example 362 | US11065253, Example 362 ...)
Show SMILES OC(c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12
Show InChI InChI=1S/C25H21ClN6O2/c26-20-6-3-16(12-19(20)25(33)24-22-2-1-7-32(22)30-15-29-24)23-18-5-4-17(13-21(18)27-14-28-23)31-8-10-34-11-9-31/h1-7,12-15,25,33H,8-11H2
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Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315696
PNG
(US10172859, Example 120 | US11065253, Example 120 ...)
Show SMILES COc1ccc(cc1)C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C26H23F2N3O3/c1-33-18-5-2-16(3-6-18)26(32)21-13-20(22(27)14-23(21)28)25-19-7-4-17(12-24(19)29-15-30-25)31-8-10-34-11-9-31/h2-7,12-15,26,32H,8-11H2,1H3
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Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315700
PNG
(US10172859, Example 124 | US11065253, Example 124 ...)
Show SMILES COc1ccc(C(O)c2cc(c(F)cc2F)-c2ncnc3cc(ccc23)N2CCOCC2)c(F)c1
Show InChI InChI=1S/C26H22F3N3O3/c1-34-16-3-5-17(21(27)11-16)26(33)20-12-19(22(28)13-23(20)29)25-18-4-2-15(10-24(18)30-14-31-25)32-6-8-35-9-7-32/h2-5,10-14,26,33H,6-9H2,1H3
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Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315721
PNG
(US10172859, Example 142 | US11065253, Example 142 ...)
Show SMILES OCc1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H20ClFN4O3S/c24-18-9-19(25)17(8-16(18)22(31)23-28-13(10-30)11-33-23)21-15-2-1-14(7-20(15)26-12-27-21)29-3-5-32-6-4-29/h1-2,7-9,11-12,22,30-31H,3-6,10H2
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Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315738
PNG
(2,2,2-Trifluoro-1-[3- (7-morpholin-4-yl- quinazoli...)
Show SMILES OC(c1nccs1)(c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O2S/c24-23(25,26)22(31,21-27-6-11-33-21)16-3-1-2-15(12-16)20-18-5-4-17(13-19(18)28-14-29-20)30-7-9-32-10-8-30/h1-6,11-14,31H,7-10H2
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Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315750
PNG
(US10172859, Example 171 | US10172859, Example 178 ...)
Show SMILES OC(c1nccs1)c1cc(F)c(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C22H18F2N4O2S/c23-17-10-13(21(29)22-25-3-8-31-22)9-16(19(17)24)20-15-2-1-14(11-18(15)26-12-27-20)28-4-6-30-7-5-28/h1-3,8-12,21,29H,4-7H2
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Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315738
PNG
(2,2,2-Trifluoro-1-[3- (7-morpholin-4-yl- quinazoli...)
Show SMILES OC(c1nccs1)(c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O2S/c24-23(25,26)22(31,21-27-6-11-33-21)16-3-1-2-15(12-16)20-18-5-4-17(13-19(18)28-14-29-20)30-7-9-32-10-8-30/h1-6,11-14,31H,7-10H2
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Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315750
PNG
(US10172859, Example 171 | US10172859, Example 178 ...)
Show SMILES OC(c1nccs1)c1cc(F)c(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C22H18F2N4O2S/c23-17-10-13(21(29)22-25-3-8-31-22)9-16(19(17)24)20-15-2-1-14(11-18(15)26-12-27-20)28-4-6-30-7-5-28/h1-3,8-12,21,29H,4-7H2
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Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315759
PNG
(US10172859, Example 180 | US10172859, Example 188 ...)
Show SMILES OC(c1nccs1)c1cnc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C21H18FN5O2S/c22-20-16(9-13(11-24-20)19(28)21-23-3-8-30-21)18-15-2-1-14(10-17(15)25-12-26-18)27-4-6-29-7-5-27/h1-3,8-12,19,28H,4-7H2
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Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315760
PNG
(US10172859, Example 181 | US11065253, Example 181 ...)
Show SMILES Cc1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H20ClFN4O2S/c1-13-11-32-23(28-13)22(30)16-9-17(19(25)10-18(16)24)21-15-3-2-14(8-20(15)26-12-27-21)29-4-6-31-7-5-29/h2-3,8-12,22,30H,4-7H2,1H3
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Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315765
PNG
((R)-[2-Chloro-4- fluoro-5-(7- morpholin-4-yl- quin...)
Show SMILES OCc1csc(n1)[C@H](O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C23H20ClFN4O3S/c24-18-9-19(25)17(8-16(18)22(31)23-28-13(10-30)11-33-23)21-15-2-1-14(7-20(15)26-12-27-21)29-3-5-32-6-4-29/h1-2,7-9,11-12,22,30-31H,3-6,10H2/t22-/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315775
PNG
(US10172859, Example 197 | US11065253, Example 197 ...)
Show SMILES CC(C)n1cc(cn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H26FN5O2/c1-16(2)31-14-18(13-29-31)25(32)17-3-6-22(26)21(11-17)24-20-5-4-19(12-23(20)27-15-28-24)30-7-9-33-10-8-30/h3-6,11-16,25,32H,7-10H2,1-2H3
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Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315777
PNG
(4-[5-(Difluoro- methoxy-thiazol-2- ylmethyl)-2-flu...)
Show SMILES FC(F)OC(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H19F3N4O2S/c24-18-4-1-14(21(32-23(25)26)22-27-5-10-33-22)11-17(18)20-16-3-2-15(12-19(16)28-13-29-20)30-6-8-31-9-7-30/h1-5,10-13,21,23H,6-9H2
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Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315786
PNG
(US10172859, Example 208 | US10172859, Example 215 ...)
Show SMILES OC(c1nccs1)c1ccc(F)c(c1)-c1nc(nc2cc(ccc12)N1CCOCC1)C#C
Show InChI InChI=1S/C24H19FN4O2S/c1-2-21-27-20-14-16(29-8-10-31-11-9-29)4-5-17(20)22(28-21)18-13-15(3-6-19(18)25)23(30)24-26-7-12-32-24/h1,3-7,12-14,23,30H,8-11H2
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Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315786
PNG
(US10172859, Example 208 | US10172859, Example 215 ...)
Show SMILES OC(c1nccs1)c1ccc(F)c(c1)-c1nc(nc2cc(ccc12)N1CCOCC1)C#C
Show InChI InChI=1S/C24H19FN4O2S/c1-2-21-27-20-14-16(29-8-10-31-11-9-29)4-5-17(20)22(28-21)18-13-15(3-6-19(18)25)23(30)24-26-7-12-32-24/h1,3-7,12-14,23,30H,8-11H2
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<1.00E+4n/an/an/an/an/an/an/an/a



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US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315904
PNG
(US10172859, Example 328 | US11065253, Example 328 ...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccc2ccoc12
Show InChI InChI=1S/C26H21FN4O3/c27-21-4-1-17(25(32)24-26-16(5-7-28-24)6-10-34-26)13-20(21)23-19-3-2-18(14-22(19)29-15-30-23)31-8-11-33-12-9-31/h1-7,10,13-15,25,32H,8-9,11-12H2
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315921
PNG
(US10172859, Example 345 | US11065253, Example 345 ...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12
Show InChI InChI=1S/C25H21FN6O2/c26-20-6-3-16(25(33)24-22-2-1-7-32(22)30-15-29-24)12-19(20)23-18-5-4-17(13-21(18)27-14-28-23)31-8-10-34-11-9-31/h1-7,12-15,25,33H,8-11H2
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Merck Patent GmbH

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Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315932
PNG
(US10172859, Example 356 | US11065253, Example 356 ...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Show InChI InChI=1S/C26H22FN5O2/c27-21-6-3-17(26(33)25-23-2-1-8-32(23)9-7-28-25)14-20(21)24-19-5-4-18(15-22(19)29-16-30-24)31-10-12-34-13-11-31/h1-9,14-16,26,33H,10-13H2
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US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315935
PNG
(US10172859, Example 359 | US11065253, Example 359 ...)
Show SMILES OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Show InChI InChI=1S/C26H21ClFN5O2/c27-20-14-21(28)19(13-18(20)26(34)25-23-2-1-6-33(23)7-5-29-25)24-17-4-3-16(12-22(17)30-15-31-24)32-8-10-35-11-9-32/h1-7,12-15,26,34H,8-11H2
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US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315937
PNG
(US10172859, Example 361 | US11065253, Example 361 ...)
Show SMILES OC(c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Show InChI InChI=1S/C26H22ClN5O2/c27-21-6-3-17(14-20(21)26(33)25-23-2-1-8-32(23)9-7-28-25)24-19-5-4-18(15-22(19)29-16-30-24)31-10-12-34-13-11-31/h1-9,14-16,26,33H,10-13H2
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US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315938
PNG
(US10172859, Example 362 | US11065253, Example 362 ...)
Show SMILES OC(c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12
Show InChI InChI=1S/C25H21ClN6O2/c26-20-6-3-16(12-19(20)25(33)24-22-2-1-7-32(22)30-15-29-24)23-18-5-4-17(13-21(18)27-14-28-23)31-8-10-34-11-9-31/h1-7,12-15,25,33H,8-11H2
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315971
PNG
(US10172859, Example 394 | US11065253, Example 394 ...)
Show SMILES COc1nccnc1C(O)c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H22FN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315982
PNG
(US10172859, Example 405 | US11065253, Example 405 ...)
Show SMILES OC(c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccsc12
Show InChI InChI=1S/C25H20FN5O2S/c26-19-4-1-15(11-18(19)24(32)23-25-20(5-10-34-25)27-13-30-23)22-17-3-2-16(12-21(17)28-14-29-22)31-6-8-33-9-7-31/h1-5,10-14,24,32H,6-9H2
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315987
PNG
(US10172859, Example 410 | US10172859, Example 411 ...)
Show SMILES COc1nccnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H22ClN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315582
PNG
((6-Chloro-5-methoxy- pyridazin-3-yl)-[4-fluoro- 3-...)
Show SMILES COc1nnc(Cl)cc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-24-18(12-21(25)29-30-24)23(32)14-2-5-19(26)17(10-14)22-16-4-3-15(11-20(16)27-13-28-22)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315596
PNG
((2-Chloro-5-methoxy- pyridin-3-yl)-[4-fluoro-3- (7...)
Show SMILES COc1cnc(Cl)c(c1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H22ClFN4O3/c1-33-17-12-20(25(26)28-13-17)24(32)15-2-5-21(27)19(10-15)23-18-4-3-16(11-22(18)29-14-30-23)31-6-8-34-9-7-31/h2-5,10-14,24,32H,6-9H2,1H3
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Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315599
PNG
((6-Chloro-3-methoxy- pyrazin-2-yl)-[4-fluoro- 3-(7...)
Show SMILES COc1ncc(Cl)nc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-24-22(30-20(25)12-27-24)23(32)14-2-5-18(26)17(10-14)21-16-4-3-15(11-19(16)28-13-29-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
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