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Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'ferguson, ii' and Initial = 'rd'   
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
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338554
PNG
(US9751881, Example 83)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2cnc(cn2)C#N)CC1 |r|
Show InChI InChI=1S/C24H27N5O3/c1-16-18(2-3-19-20(16)14-32-23(19)31)21(30)13-28-7-4-24(5-8-28)6-9-29(15-24)22-12-26-17(10-25)11-27-22/h2-3,11-12,21,30H,4-9,13-15H2,1H3/t21-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338561
PNG
(US9751881, Example 90)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ncc(s2)C#N)CC1 |r|
Show InChI InChI=1S/C23H26N4O3S/c1-15-17(2-3-18-19(15)13-30-21(18)29)20(28)12-26-7-4-23(5-8-26)6-9-27(14-23)22-25-11-16(10-24)31-22/h2-3,11,20,28H,4-9,12-14H2,1H3/t20-/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338582
PNG
(US9751881, Example 111)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCC2(CC1)CCN(CC2)c1cnc(cn1)C#N
Show InChI InChI=1S/C25H29N5O3/c1-17-19(2-3-20-21(17)16-33-24(20)32)22(31)15-29-8-4-25(5-9-29)6-10-30(11-7-25)23-14-27-18(12-26)13-28-23/h2-3,13-14,22,31H,4-11,15-16H2,1H3
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n/an/a 9.62n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50121344
PNG
(CHEMBL3622105 | US9751881, Example 3)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)C#N)CC1 |r|
Show InChI InChI=1S/C25H28N4O3/c1-17-19(3-4-20-21(17)15-32-24(20)31)22(30)14-28-9-6-25(7-10-28)8-11-29(16-25)23-5-2-18(12-26)13-27-23/h2-5,13,22,30H,6-11,14-16H2,1H3/t22-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50121355
PNG
(CHEMBL3622112 | US9751881, Example 81)
Show SMILES Cc1cc(cnc1C#N)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r|
Show InChI InChI=1S/C26H30N4O3/c1-17-11-19(13-28-23(17)12-27)30-10-7-26(16-30)5-8-29(9-6-26)14-24(31)20-3-4-21-22(18(20)2)15-33-25(21)32/h3-4,11,13,24,31H,5-10,14-16H2,1-2H3/t24-/m0/s1
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n/an/a 10.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50121345
PNG
(CHEMBL3622104 | US9751881, Example 1)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(cn2)C#N)CC1 |r|
Show InChI InChI=1S/C25H26N4O4/c1-16-18(3-4-19-20(16)14-33-24(19)32)21(30)13-28-8-6-25(7-9-28)10-23(31)29(15-25)22-5-2-17(11-26)12-27-22/h2-5,12,21,30H,6-10,13-15H2,1H3/t21-/m0/s1
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n/an/a 10.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50121363
PNG
(CHEMBL3622106 | US9751881, Example 4)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCC2(CN(C(=O)C2)c2ccc(cn2)C#N)CC1
Show InChI InChI=1S/C25H26N4O3/c1-17-19(3-4-20-21(17)15-32-24(20)31)6-9-28-10-7-25(8-11-28)12-23(30)29(16-25)22-5-2-18(13-26)14-27-22/h2-5,14H,6-12,15-16H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338576
PNG
(US9751881, Example 105)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCC2(CC1)CCN(CC2)c1ccc(nn1)C#N
Show InChI InChI=1S/C25H29N5O3/c1-17-19(3-4-20-21(17)16-33-24(20)32)22(31)15-29-10-6-25(7-11-29)8-12-30(13-9-25)23-5-2-18(14-26)27-28-23/h2-5,22,31H,6-13,15-16H2,1H3
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n/an/a 13.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50121362
PNG
(CHEMBL3622107 | US9751881, Example 9)
Show SMILES Cc1nc(ccc1C#N)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r|
Show InChI InChI=1S/C26H30N4O3/c1-17-20(4-5-21-22(17)15-33-25(21)32)23(31)14-29-10-7-26(8-11-29)9-12-30(16-26)24-6-3-19(13-27)18(2)28-24/h3-6,23,31H,7-12,14-16H2,1-2H3/t23-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338550
PNG
(US9751881, Example 79)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](N)CN1CCC2(CCN(C2)c2ccc(cn2)C#N)CC1 |r|
Show InChI InChI=1S/C25H29N5O2/c1-17-19(3-4-20-21(17)15-32-24(20)31)22(27)14-29-9-6-25(7-10-29)8-11-30(16-25)23-5-2-18(12-26)13-28-23/h2-5,13,22H,6-11,14-16,27H2,1H3/t22-/m0/s1
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n/an/a 14.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338580
PNG
(US9751881, Example 109)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCC2(CC1)CCN(CC2)c1ncc(cn1)C#N
Show InChI InChI=1S/C25H29N5O3/c1-17-19(2-3-20-21(17)16-33-23(20)32)22(31)15-29-8-4-25(5-9-29)6-10-30(11-7-25)24-27-13-18(12-26)14-28-24/h2-3,13-14,22,31H,4-11,15-16H2,1H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338482
PNG
(US9751881, Example 14)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(cc2)C#N)CC1 |r|
Show InChI InChI=1S/C26H27N3O4/c1-17-20(6-7-21-22(17)15-33-25(21)32)23(30)14-28-10-8-26(9-11-28)12-24(31)29(16-26)19-4-2-18(13-27)3-5-19/h2-7,23,30H,8-12,14-16H2,1H3/t23-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338573
PNG
(US9751881, Example 102)
Show SMILES COc1cc(ncc1C#N)N1CC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)OCC1=O |r|
Show InChI InChI=1S/C26H28N4O6/c1-16-18(3-4-19-20(16)13-35-25(19)33)21(31)12-29-7-5-26(6-8-29)15-30(24(32)14-36-26)23-9-22(34-2)17(10-27)11-28-23/h3-4,9,11,21,31H,5-8,12-15H2,1-2H3/t21-/m0/s1
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n/an/a 16.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50121361
PNG
(CHEMBL3622108 | US9751881, Example 10)
Show SMILES Cc1cc(ncc1C#N)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r|
Show InChI InChI=1S/C26H30N4O3/c1-17-11-24(28-13-19(17)12-27)30-10-7-26(16-30)5-8-29(9-6-26)14-23(31)20-3-4-21-22(18(20)2)15-33-25(21)32/h3-4,11,13,23,31H,5-10,14-16H2,1-2H3/t23-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338492
PNG
(US9751881, Example 24A | US9751881, Example 24B)
Show SMILES Cc1cc2C(=O)OCc2cc1C(O)CN1CCC2(CCN(C2)c2ccc(cn2)C#N)CC1
Show InChI InChI=1S/C25H28N4O3/c1-17-10-21-19(15-32-24(21)31)11-20(17)22(30)14-28-7-4-25(5-8-28)6-9-29(16-25)23-3-2-18(12-26)13-27-23/h2-3,10-11,13,22,30H,4-9,14-16H2,1H3
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n/an/a 17.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338524
PNG
(US9751881, Example 53)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(C1)CCN(CC2)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C25H28N4O3/c1-17-19(3-4-20-21(17)15-32-24(20)31)22(30)14-28-9-6-25(16-28)7-10-29(11-8-25)23-5-2-18(12-26)13-27-23/h2-5,13,22,30H,6-11,14-16H2,1H3/t22-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50121360
PNG
(CHEMBL3622109 | US9751881, Example 11)
Show SMILES Cc1cc(cnc1N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2)C#N |r|
Show InChI InChI=1S/C26H30N4O3/c1-17-11-19(12-27)13-28-24(17)30-10-7-26(16-30)5-8-29(9-6-26)14-23(31)20-3-4-21-22(18(20)2)15-33-25(21)32/h3-4,11,13,23,31H,5-10,14-16H2,1-2H3/t23-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338470
PNG
(US9751881, Example 7 | US9751881, Example 82)
Show SMILES COc1cc(ncc1C#N)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r|
Show InChI InChI=1S/C26H30N4O4/c1-17-19(3-4-20-21(17)15-34-25(20)32)22(31)14-29-8-5-26(6-9-29)7-10-30(16-26)24-11-23(33-2)18(12-27)13-28-24/h3-4,11,13,22,31H,5-10,14-16H2,1-2H3/t22-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338345
PNG
(US9751881, Example 2)
Show SMILES Cc1cc2C(=O)OCc2cc1C(O)CN1CCC2(CN(C(=O)C2)c2ccc(cn2)C#N)CC1
Show InChI InChI=1S/C25H26N4O4/c1-16-8-20-18(14-33-24(20)32)9-19(16)21(30)13-28-6-4-25(5-7-28)10-23(31)29(15-25)22-3-2-17(11-26)12-27-22/h2-3,8-9,12,21,30H,4-7,10,13-15H2,1H3
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n/an/a 23n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338575
PNG
(US9751881, Example 104)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCC2(CC1)CCN(CC2)c1ccc(cn1)C#N
Show InChI InChI=1S/C26H30N4O3/c1-18-20(3-4-21-22(18)17-33-25(21)32)23(31)16-29-10-6-26(7-11-29)8-12-30(13-9-26)24-5-2-19(14-27)15-28-24/h2-5,15,23,31H,6-13,16-17H2,1H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338481
PNG
(US9751881, Example 13)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2cc(ccn2)C#N)CC1 |r|
Show InChI InChI=1S/C25H28N4O3/c1-17-19(2-3-20-21(17)15-32-24(20)31)22(30)14-28-9-5-25(6-10-28)7-11-29(16-25)23-12-18(13-26)4-8-27-23/h2-4,8,12,22,30H,5-7,9-11,14-16H2,1H3/t22-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338577
PNG
(US9751881, Example 106)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCC2(CC1)CCN(CC2)c1cc(ncn1)C#N
Show InChI InChI=1S/C25H29N5O3/c1-17-19(2-3-20-21(17)15-33-24(20)32)22(31)14-29-8-4-25(5-9-29)6-10-30(11-7-25)23-12-18(13-26)27-16-28-23/h2-3,12,16,22,31H,4-11,14-15H2,1H3
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n/an/a 26.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338492
PNG
(US9751881, Example 24A | US9751881, Example 24B)
Show SMILES Cc1cc2C(=O)OCc2cc1C(O)CN1CCC2(CCN(C2)c2ccc(cn2)C#N)CC1
Show InChI InChI=1S/C25H28N4O3/c1-17-10-21-19(15-32-24(21)31)11-20(17)22(30)14-28-7-4-25(5-8-28)6-9-29(16-25)23-3-2-18(12-26)13-27-23/h2-3,10-11,13,22,30H,4-9,14-16H2,1H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338470
PNG
(US9751881, Example 7 | US9751881, Example 82)
Show SMILES COc1cc(ncc1C#N)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r|
Show InChI InChI=1S/C26H30N4O4/c1-17-19(3-4-20-21(17)15-34-25(20)32)22(31)14-29-8-5-26(6-9-29)7-10-30(16-26)24-11-23(33-2)18(12-27)13-28-24/h3-4,11,13,22,31H,5-10,14-16H2,1-2H3/t22-/m0/s1
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n/an/a 32.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338530
PNG
(US9751881, Example 59)
Show SMILES COc1cc(ncc1C#N)N1CC2(CC1=O)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r|
Show InChI InChI=1S/C26H28N4O5/c1-16-18(3-4-19-20(16)14-35-25(19)33)21(31)13-29-7-5-26(6-8-29)10-24(32)30(15-26)23-9-22(34-2)17(11-27)12-28-23/h3-4,9,12,21,31H,5-8,10,13-15H2,1-2H3/t21-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50235201
PNG
(CHEMBL4066423)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2cncc(c2)C#N)CC1 |r|
Show InChI InChI=1S/C25H28N4O3/c1-17-20(2-3-21-22(17)15-32-24(21)31)23(30)14-28-7-4-25(5-8-28)6-9-29(16-25)19-10-18(11-26)12-27-13-19/h2-3,10,12-13,23,30H,4-9,14-16H2,1H3/t23-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338440
PNG
(US9751881, Example 5)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(cn2)C#N)CC1 |r|
Show InChI InChI=1S/C25H26N4O4/c1-16-18(3-4-19-20(16)15-33-23(19)31)21(30)14-28-9-6-25(7-10-28)8-11-29(24(25)32)22-5-2-17(12-26)13-27-22/h2-5,13,21,30H,6-11,14-15H2,1H3/t21-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338512
PNG
(US9751881, Example 43)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCCN(C2)c2ncc(cn2)-n2cnnn2)CC1 |r|
Show InChI InChI=1S/C25H30N8O3/c1-17-19(3-4-20-21(17)14-36-23(20)35)22(34)13-31-9-6-25(7-10-31)5-2-8-32(15-25)24-26-11-18(12-27-24)33-16-28-29-30-33/h3-4,11-12,16,22,34H,2,5-10,13-15H2,1H3/t22-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338476
PNG
(US9751881, Example 8)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)-n2cnnn2)CC1 |r|
Show InChI InChI=1S/C25H29N7O3/c1-17-19(3-4-20-21(17)14-35-24(20)34)22(33)13-30-9-6-25(7-10-30)8-11-31(15-25)23-5-2-18(12-26-23)32-16-27-28-29-32/h2-5,12,16,22,33H,6-11,13-15H2,1H3/t22-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338572
PNG
(US9751881, Example 101)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)CN(CCO2)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C25H28N4O4/c1-17-19(3-4-20-21(17)15-32-24(20)31)22(30)14-28-8-6-25(7-9-28)16-29(10-11-33-25)23-5-2-18(12-26)13-27-23/h2-5,13,22,30H,6-11,14-16H2,1H3/t22-/m0/s1
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n/an/a 39.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50235200
PNG
(CHEMBL4098260)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r|
Show InChI InChI=1S/C25H31N3O5S/c1-17-19(4-5-20-21(17)15-33-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)23-6-3-18(13-26-23)34(2,31)32/h3-6,13,22,29H,7-12,14-16H2,1-2H3/t22-/m0/s1
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n/an/a 41.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338500
PNG
(US9751881, Example 31)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cc2)S(C)(=O)=O)CC1 |r|
Show InChI InChI=1S/C26H32N2O5S/c1-18-21(7-8-22-23(18)16-33-25(22)30)24(29)15-27-12-9-26(10-13-27)11-14-28(17-26)19-3-5-20(6-4-19)34(2,31)32/h3-8,24,29H,9-17H2,1-2H3/t24-/m0/s1
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n/an/a 41.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338519
PNG
(US9751881, Example 50)
Show SMILES COc1cc(ncc1C#N)N1CC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r|
Show InChI InChI=1S/C25H28N4O4/c1-16-18(3-4-19-20(16)13-33-24(19)31)21(30)12-28-7-5-25(6-8-28)14-29(15-25)23-9-22(32-2)17(10-26)11-27-23/h3-4,9,11,21,30H,5-8,12-15H2,1-2H3/t21-/m0/s1
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n/an/a 42.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50235196
PNG
(CHEMBL4064760)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2cnc(cn2)S(C)(=O)=O)CC1 |r|
Show InChI InChI=1S/C24H30N4O5S/c1-16-17(3-4-18-19(16)14-33-23(18)30)20(29)13-27-8-5-24(6-9-27)7-10-28(15-24)21-11-26-22(12-25-21)34(2,31)32/h3-4,11-12,20,29H,5-10,13-15H2,1-2H3/t20-/m0/s1
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n/an/a 44.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338522
PNG
(US9751881, Example 52A)
Show SMILES C[C@H]1Cc2cc(ccc2C(=O)O1)C(O)CN1CCC2(CN(C2)c2ccc(cn2)C#N)CC1 |r|
Show InChI InChI=1S/C25H28N4O3/c1-17-10-20-11-19(3-4-21(20)24(31)32-17)22(30)14-28-8-6-25(7-9-28)15-29(16-25)23-5-2-18(12-26)13-27-23/h2-5,11,13,17,22,30H,6-10,14-16H2,1H3/t17-,22?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338529
PNG
(US9751881, Example 58)
Show SMILES COc1cc(ncc1C#N)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r|
Show InChI InChI=1S/C26H28N4O5/c1-16-18(3-4-19-20(16)15-35-24(19)32)21(31)14-29-8-5-26(6-9-29)7-10-30(25(26)33)23-11-22(34-2)17(12-27)13-28-23/h3-4,11,13,21,31H,5-10,14-15H2,1-2H3/t21-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338489
PNG
(US9751881, Example 21)
Show SMILES CC1Cc2cc(ccc2C(=O)O1)C(O)CN1CCC2(CCN(C2)c2ccc(cn2)C#N)CC1
Show InChI InChI=1S/C26H30N4O3/c1-18-12-21-13-20(3-4-22(21)25(32)33-18)23(31)16-29-9-6-26(7-10-29)8-11-30(17-26)24-5-2-19(14-27)15-28-24/h2-5,13,15,18,23,31H,6-12,16-17H2,1H3
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n/an/a 50.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338557
PNG
(US9751881, Example 86)
Show SMILES COc1cc(ccc1N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2)C#N |r|
Show InChI InChI=1S/C27H31N3O4/c1-18-20(4-5-21-22(18)16-34-26(21)32)24(31)15-29-10-7-27(8-11-29)9-12-30(17-27)23-6-3-19(14-28)13-25(23)33-2/h3-6,13,24,31H,7-12,15-17H2,1-2H3/t24-/m0/s1
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n/an/a 50.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338497
PNG
(US9751881, Example 28)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1C2CCC1CC1(CCN(C1)c1ccc(cn1)C#N)C2 |r|
Show InChI InChI=1S/C27H30N4O3/c1-17-21(5-6-22-23(17)15-34-26(22)33)24(32)14-31-19-3-4-20(31)11-27(10-19)8-9-30(16-27)25-7-2-18(12-28)13-29-25/h2,5-7,13,19-20,24,32H,3-4,8-11,14-16H2,1H3/t19?,20?,24-,27?/m0/s1
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n/an/a 50.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338484
PNG
(US9751881, Example 16)
Show SMILES COc1cc(ccc1C#N)N1CC2(CC1=O)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r|
Show InChI InChI=1S/C27H29N3O5/c1-17-20(5-6-21-22(17)15-35-26(21)33)23(31)14-29-9-7-27(8-10-29)12-25(32)30(16-27)19-4-3-18(13-28)24(11-19)34-2/h3-6,11,23,31H,7-10,12,14-16H2,1-2H3/t23-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50235198
PNG
(CHEMBL4066256)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r|
Show InChI InChI=1S/C25H29N3O6S/c1-16-18(4-5-19-20(16)14-34-24(19)31)21(29)13-27-9-7-25(8-10-27)11-23(30)28(15-25)22-6-3-17(12-26-22)35(2,32)33/h3-6,12,21,29H,7-11,13-15H2,1-2H3/t21-/m0/s1
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n/an/a 53.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338531
PNG
(US9751881, Example 60)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccnc(c2)C#N)CC1 |r|
Show InChI InChI=1S/C25H28N4O3/c1-17-20(2-3-21-22(17)15-32-24(21)31)23(30)14-28-9-5-25(6-10-28)7-11-29(16-25)19-4-8-27-18(12-19)13-26/h2-4,8,12,23,30H,5-7,9-11,14-16H2,1H3/t23-/m0/s1
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n/an/a 54.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338532
PNG
(US9751881, Example 61)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCCN(C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r|
Show InChI InChI=1S/C26H33N3O5S/c1-18-20(5-6-21-22(18)16-34-25(21)31)23(30)15-28-12-9-26(10-13-28)8-3-11-29(17-26)24-7-4-19(14-27-24)35(2,32)33/h4-7,14,23,30H,3,8-13,15-17H2,1-2H3/t23-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338483
PNG
(US9751881, Example 15)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ncc(cn2)-n2cnnn2)CC1 |r|
Show InChI InChI=1S/C24H28N8O3/c1-16-18(2-3-19-20(16)13-35-22(19)34)21(33)12-30-7-4-24(5-8-30)6-9-31(14-24)23-25-10-17(11-26-23)32-15-27-28-29-32/h2-3,10-11,15,21,33H,4-9,12-14H2,1H3/t21-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338528
PNG
(US9751881, Example 57)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(nn2)S(C)(=O)=O)CC1 |r|
Show InChI InChI=1S/C24H28N4O6S/c1-15-16(3-4-17-18(15)14-34-22(17)30)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)31)20-5-6-21(26-25-20)35(2,32)33/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1
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n/an/a 59.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338507
PNG
(US9751881, Example 38)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ncc(s2)S(C)(=O)=O)CC1 |r|
Show InChI InChI=1S/C23H29N3O5S2/c1-15-16(3-4-17-18(15)13-31-21(17)28)19(27)12-25-8-5-23(6-9-25)7-10-26(14-23)22-24-11-20(32-22)33(2,29)30/h3-4,11,19,27H,5-10,12-14H2,1-2H3/t19-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338548
PNG
(US9751881, Example 77)
Show SMILES CN[C@@H](CN1CCC2(CCN(C2)c2ccc(cn2)C#N)CC1)c1ccc2C(=O)OCc2c1C |r|
Show InChI InChI=1S/C26H31N5O2/c1-18-20(4-5-21-22(18)16-33-25(21)32)23(28-2)15-30-10-7-26(8-11-30)9-12-31(17-26)24-6-3-19(13-27)14-29-24/h3-6,14,23,28H,7-12,15-17H2,1-2H3/t23-/m0/s1
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n/an/a 61.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338551
PNG
(US9751881, Example 80)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cc2)-n2ccnn2)CC1 |r|
Show InChI InChI=1S/C27H31N5O3/c1-19-22(6-7-23-24(19)17-35-26(23)34)25(33)16-30-12-8-27(9-13-30)10-14-31(18-27)20-2-4-21(5-3-20)32-15-11-28-29-32/h2-7,11,15,25,33H,8-10,12-14,16-18H2,1H3/t25-/m0/s1
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n/an/a 63.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338538
PNG
(US9751881, Example 67)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(c(F)c2)S(C)(=O)=O)CC1 |r|
Show InChI InChI=1S/C26H29FN2O6S/c1-16-18(4-5-19-20(16)14-35-25(19)32)22(30)13-28-9-7-26(8-10-28)12-24(31)29(15-26)17-3-6-23(21(27)11-17)36(2,33)34/h3-6,11,22,30H,7-10,12-15H2,1-2H3/t22-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338523
PNG
(US9751881, Example 52B)
Show SMILES C[C@@H]1Cc2cc(ccc2C(=O)O1)C(O)CN1CCC2(CN(C2)c2ccc(cn2)C#N)CC1 |r|
Show InChI InChI=1S/C25H28N4O3/c1-17-10-20-11-19(3-4-21(20)24(31)32-17)22(30)14-28-8-6-25(7-9-28)15-29(16-25)23-5-2-18(12-26)13-27-23/h2-5,11,13,17,22,30H,6-10,14-16H2,1H3/t17-,22?/m1/s1
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n/an/a 69.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
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