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Patent code US9573961

Compile Data Set for Download or QSAR
Found 95 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
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290026
PNG
(US9573961, Example 1A)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C25H26N6O4/c1-16-20(6-7-21-22(16)14-35-25(21)33)23-12-29-8-9-30(11-19(29)13-34-23)24(32)10-17-2-4-18(5-3-17)31-15-26-27-28-31/h2-7,15,19,23H,8-14H2,1H3/t19-,23-/m0/s1
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n/an/a 30n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM50204280
PNG
(CHEMBL3987135 | US9573961, Example 15)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1
Show InChI InChI=1S/C25H26N6O4/c32-24(11-17-1-4-20(5-2-17)31-16-26-27-28-31)30-9-8-29-14-23(35-15-21(29)13-30)19-3-6-22-18(12-19)7-10-34-25(22)33/h1-6,12,16,21,23H,7-11,13-15H2/t21-,23-/m0/s1
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US Patent
n/an/a 50n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290116
PNG
(US9573961, Example 101)
Show SMILES Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H25FN8O/c1-16-20(6-7-22(25)21(16)11-26)23-14-31-8-9-32(13-19(31)12-27-23)24(34)10-17-2-4-18(5-3-17)33-15-28-29-30-33/h2-7,15,19,23,27H,8-10,12-14H2,1H3/t19-,23-/m1/s1
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n/an/a 60n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290054
PNG
(US9573961, Example 39)
Show SMILES Cc1c(csc1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C22H23N7O2S/c1-15-19(13-32-21(15)9-23)20-11-27-6-7-28(10-18(27)12-31-20)22(30)8-16-2-4-17(5-3-16)29-14-24-25-26-29/h2-5,13-14,18,20H,6-8,10-12H2,1H3/t18-,20-/m0/s1
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n/an/a 60n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290039
PNG
(US9573961, Example 24)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C25H24FN3O4/c1-15-19(4-5-22(26)21(15)10-27)23-12-28-6-7-29(11-18(28)14-32-23)24(30)9-16-2-3-20-17(8-16)13-33-25(20)31/h2-5,8,18,23H,6-7,9,11-14H2,1H3/t18-,23-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290114
PNG
(US9573961, Example 99)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H25FN8O/c1-16-20(6-7-22(25)21(16)11-26)23-14-31-8-9-32(13-19(31)12-27-23)24(34)10-17-2-4-18(5-3-17)33-15-28-29-30-33/h2-7,15,19,23,27H,8-10,12-14H2,1H3/t19-,23+/m1/s1
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n/an/a 70n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290038
PNG
(US9573961, Example 23)
Show SMILES Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C25H24FN3O4/c1-15-19(4-5-22(26)21(15)10-27)23-12-28-6-7-29(11-18(28)14-32-23)24(30)9-16-2-3-20-17(8-16)13-33-25(20)31/h2-5,8,18,23H,6-7,9,11-14H2,1H3/t18-,23+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290037
PNG
(US9573961, Example 22 | US9573961, Example 86 | US...)
Show SMILES O=C(C1CCc2cc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1
Show InChI InChI=1S/C27H28N6O4/c34-26(24-5-1-17-12-20(3-6-22(17)24)33-16-28-29-30-33)32-9-8-31-14-25(37-15-21(31)13-32)19-2-4-23-18(11-19)7-10-36-27(23)35/h2-4,6,11-12,16,21,24-25H,1,5,7-10,13-15H2/t21-,24?,25-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290057
PNG
(US9573961, Example 42)
Show SMILES Cc1c(cccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1)C#N
Show InChI InChI=1S/C24H25N7O2/c1-17-19(12-25)3-2-4-22(17)23-14-29-9-10-30(13-21(29)15-33-23)24(32)11-18-5-7-20(8-6-18)31-16-26-27-28-31/h2-8,16,21,23H,9-11,13-15H2,1H3/t21-,23-/m0/s1
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n/an/a 90n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290055
PNG
(US9573961, Example 40)
Show SMILES Cc1c(csc1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C22H23N7O2S/c1-15-19(13-32-21(15)9-23)20-11-27-6-7-28(10-18(27)12-31-20)22(30)8-16-2-4-17(5-3-16)29-14-24-25-26-29/h2-5,13-14,18,20H,6-8,10-12H2,1H3/t18-,20+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290037
PNG
(US9573961, Example 22 | US9573961, Example 86 | US...)
Show SMILES O=C(C1CCc2cc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1
Show InChI InChI=1S/C27H28N6O4/c34-26(24-5-1-17-12-20(3-6-22(17)24)33-16-28-29-30-33)32-9-8-31-14-25(37-15-21(31)13-32)19-2-4-23-18(11-19)7-10-36-27(23)35/h2-4,6,11-12,16,21,24-25H,1,5,7-10,13-15H2/t21-,24?,25-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290045
PNG
(US9573961, Example 30)
Show SMILES COc1cc(CC(=O)N2CCN3C[C@H](OC[C@@H]3C2)c2ccc3C(=O)OCCc3c2)c(F)cc1C#N
Show InChI InChI=1S/C26H26FN3O5/c1-33-23-10-18(22(27)9-19(23)12-28)11-25(31)30-6-5-29-14-24(35-15-20(29)13-30)17-2-3-21-16(8-17)4-7-34-26(21)32/h2-3,8-10,20,24H,4-7,11,13-15H2,1H3/t20-,24-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290036
PNG
(US9573961, Example 21)
Show SMILES Clc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H23ClN6O4/c25-23-19(6-5-18-20(23)13-35-24(18)33)21-11-29-7-8-30(10-17(29)12-34-21)22(32)9-15-1-3-16(4-2-15)31-14-26-27-28-31/h1-6,14,17,21H,7-13H2/t17-,21+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290047
PNG
(US9573961, Example 32)
Show SMILES COc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H24FN7O3/c1-34-24-19(6-7-21(25)20(24)11-26)22-13-30-8-9-31(12-18(30)14-35-22)23(33)10-16-2-4-17(5-3-16)32-15-27-28-29-32/h2-7,15,18,22H,8-10,12-14H2,1H3/t18-,22-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290069
PNG
(US9573961, Example 54)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cc(F)c(cc1F)-n1cnnn1
Show InChI InChI=1S/C24H22F3N7O2/c1-14-17(2-3-19(25)18(14)9-28)23-11-32-4-5-33(10-16(32)12-36-23)24(35)7-15-6-21(27)22(8-20(15)26)34-13-29-30-31-34/h2-3,6,8,13,16,23H,4-5,7,10-12H2,1H3/t16-,23+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290084
PNG
(US9573961, Example 69)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cc1Cl)-n1cnnn1
Show InChI InChI=1S/C24H23ClFN7O2/c1-15-19(4-5-22(26)20(15)10-27)23-12-31-6-7-32(11-18(31)13-35-23)24(34)8-16-2-3-17(9-21(16)25)33-14-28-29-30-33/h2-5,9,14,18,23H,6-8,11-13H2,1H3/t18-,23+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290118
PNG
(US9573961, Example 103)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1c(F)cc(cc1F)-n1cnnn1
Show InChI InChI=1S/C24H23F3N8O/c1-14-17(2-3-20(25)19(14)9-28)23-12-33-4-5-34(11-16(33)10-29-23)24(36)8-18-21(26)6-15(7-22(18)27)35-13-30-31-32-35/h2-3,6-7,13,16,23,29H,4-5,8,10-12H2,1H3/t16-,23+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290053
PNG
(US9573961, Example 38)
Show SMILES Cc1cc(F)c(cc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1)C#N
Show InChI InChI=1S/C24H24FN7O2/c1-16-8-22(25)18(11-26)10-21(16)23-13-30-6-7-31(12-20(30)14-34-23)24(33)9-17-2-4-19(5-3-17)32-15-27-28-29-32/h2-5,8,10,15,20,23H,6-7,9,12-14H2,1H3/t20-,23-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290031
PNG
(US9573961, Example 14)
Show SMILES Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C25H26N6O4/c1-16-20(6-7-21-22(16)14-35-25(21)33)23-12-29-8-9-30(11-19(29)13-34-23)24(32)10-17-2-4-18(5-3-17)31-15-26-27-28-31/h2-7,15,19,23H,8-14H2,1H3/t19-,23-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290048
PNG
(US9573961, Example 33)
Show SMILES COc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H24FN7O3/c1-34-24-19(6-7-21(25)20(24)11-26)22-13-30-8-9-31(12-18(30)14-35-22)23(33)10-16-2-4-17(5-3-16)32-15-27-28-29-32/h2-7,15,18,22H,8-10,12-14H2,1H3/t18-,22+/m0/s1
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n/an/a 110n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290030
PNG
(US9573961, Example 13)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C25H26N6O4/c1-16-20(6-7-21-22(16)14-35-25(21)33)23-12-29-8-9-30(11-19(29)13-34-23)24(32)10-17-2-4-18(5-3-17)31-15-26-27-28-31/h2-7,15,19,23H,8-14H2,1H3/t19-,23+/m1/s1
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n/an/a 120n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290082
PNG
(US9573961, Example 67)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1C#N)-n1cnnn1
Show InChI InChI=1S/C25H23FN8O2/c1-16-21(4-5-23(26)22(16)11-28)24-13-32-6-7-33(12-20(32)14-36-24)25(35)9-17-2-3-19(8-18(17)10-27)34-15-29-30-31-34/h2-5,8,15,20,24H,6-7,9,12-14H2,1H3/t20-,24-/m0/s1
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n/an/a 130n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290095
PNG
(US9573961, Example 80)
Show SMILES O=C(C1CCc2cc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1cccc(c1)-n1cnnn1
Show InChI InChI=1S/C25H26N10O2/c36-25(23-6-4-17-10-20(5-7-22(17)23)35-16-27-29-31-35)33-9-8-32-13-24(37-14-21(32)12-33)18-2-1-3-19(11-18)34-15-26-28-30-34/h1-3,5,7,10-11,15-16,21,23-24H,4,6,8-9,12-14H2/t21-,23?,24-/m0/s1
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n/an/a 130n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290070
PNG
(US9573961, Example 55)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cc(F)c(cc1F)-n1cnnn1
Show InChI InChI=1S/C24H22F3N7O2/c1-14-17(2-3-19(25)18(14)9-28)23-11-32-4-5-33(10-16(32)12-36-23)24(35)7-15-6-21(27)22(8-20(15)26)34-13-29-30-31-34/h2-3,6,8,13,16,23H,4-5,7,10-12H2,1H3/t16-,23-/m0/s1
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n/an/a 130n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290029
PNG
(US9573961, Example 10)
Show SMILES COc1cc(CC(=O)N2CCN3C[C@H](OC[C@@H]3C2)c2ccc3C(=O)OCc3c2)c(F)cc1C#N
Show InChI InChI=1S/C25H24FN3O5/c1-32-22-8-16(21(26)7-17(22)10-27)9-24(30)29-5-4-28-12-23(33-14-19(28)11-29)15-2-3-20-18(6-15)13-34-25(20)31/h2-3,6-8,19,23H,4-5,9,11-14H2,1H3/t19-,23-/m0/s1
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n/an/a 130n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290088
PNG
(US9573961, Example 73)
Show SMILES Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)CCc1cccc(c1)-n1cnnn1
Show InChI InChI=1S/C25H26FN7O2/c1-17-21(6-7-23(26)22(17)12-27)24-14-31-9-10-32(13-20(31)15-35-24)25(34)8-5-18-3-2-4-19(11-18)33-16-28-29-30-33/h2-4,6-7,11,16,20,24H,5,8-10,13-15H2,1H3/t20-,24-/m1/s1
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n/an/a 140n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290097
PNG
(US9573961, Example 82 | US9573961, Example 83)
Show SMILES Cc1c(csc1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C24H25N7O2S/c1-15-21(13-34-23(15)9-25)22-11-29-6-7-30(10-18(29)12-33-22)24(32)20-4-2-16-8-17(3-5-19(16)20)31-14-26-27-28-31/h3,5,8,13-14,18,20,22H,2,4,6-7,10-12H2,1H3/t18-,20?,22-/m0/s1
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n/an/a 140n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290058
PNG
(US9573961, Example 43)
Show SMILES Cc1c(cccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1)C#N
Show InChI InChI=1S/C24H25N7O2/c1-17-19(12-25)3-2-4-22(17)23-14-29-9-10-30(13-21(29)15-33-23)24(32)11-18-5-7-20(8-6-18)31-16-26-27-28-31/h2-8,16,21,23H,9-11,13-15H2,1H3/t21-,23+/m0/s1
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n/an/a 140n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290072
PNG
(US9573961, Example 57)
Show SMILES Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cccc(c1)-n1cnnn1
Show InChI InChI=1S/C24H24FN7O2/c1-16-20(5-6-22(25)21(16)11-26)23-13-30-7-8-31(12-19(30)14-34-23)24(33)10-17-3-2-4-18(9-17)32-15-27-28-29-32/h2-6,9,15,19,23H,7-8,10,12-14H2,1H3/t19-,23-/m1/s1
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n/an/a 140n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290037
PNG
(US9573961, Example 22 | US9573961, Example 86 | US...)
Show SMILES O=C(C1CCc2cc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1
Show InChI InChI=1S/C27H28N6O4/c34-26(24-5-1-17-12-20(3-6-22(17)24)33-16-28-29-30-33)32-9-8-31-14-25(37-15-21(31)13-32)19-2-4-23-18(11-19)7-10-36-27(23)35/h2-4,6,11-12,16,21,24-25H,1,5,7-10,13-15H2/t21-,24?,25-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290041
PNG
(US9573961, Example 26)
Show SMILES COc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)Cc2ccc(cc2)-n2cnnn2)c(C)c1C#N
Show InChI InChI=1S/C25H27N7O3/c1-17-21(7-8-23(34-2)22(17)12-26)24-14-30-9-10-31(13-20(30)15-35-24)25(33)11-18-3-5-19(6-4-18)32-16-27-28-29-32/h3-8,16,20,24H,9-11,13-15H2,1-2H3/t20-,24-/m0/s1
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n/an/a 140n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290117
PNG
(US9573961, Example 102)
Show SMILES Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1c(F)cc(cc1F)-n1cnnn1
Show InChI InChI=1S/C24H23F3N8O/c1-14-17(2-3-20(25)19(14)9-28)23-12-33-4-5-34(11-16(33)10-29-23)24(36)8-18-21(26)6-15(7-22(18)27)35-13-30-31-32-35/h2-3,6-7,13,16,23,29H,4-5,8,10-12H2,1H3/t16-,23-/m1/s1
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n/an/a 150n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290040
PNG
(US9573961, Example 25)
Show SMILES COc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)Cc2ccc(cc2)-n2cnnn2)c(F)c1C#N
Show InChI InChI=1S/C24H24FN7O3/c1-34-21-7-6-19(24(25)20(21)11-26)22-13-30-8-9-31(12-18(30)14-35-22)23(33)10-16-2-4-17(5-3-16)32-15-27-28-29-32/h2-7,15,18,22H,8-10,12-14H2,1H3/t18-,22-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290099
PNG
(US9573961, Example 84 | US9573961, Example 85)
Show SMILES C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C28H30N6O4/c1-17-10-20-11-19(3-5-24(20)28(36)38-17)26-14-32-8-9-33(13-22(32)15-37-26)27(35)25-6-2-18-12-21(4-7-23(18)25)34-16-29-30-31-34/h3-5,7,11-12,16-17,22,25-26H,2,6,8-10,13-15H2,1H3/t17-,22+,25?,26+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290092
PNG
(US9573961, Example 77)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2nonc2c1
Show InChI InChI=1S/C22H22N8O3/c31-22(9-15-1-4-17(5-2-15)30-14-23-26-27-30)29-8-7-28-12-21(32-13-18(28)11-29)16-3-6-19-20(10-16)25-33-24-19/h1-6,10,14,18,21H,7-9,11-13H2/t18-,21-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290027
PNG
(US9573961, Example 2A | US9573961, Example 2B)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C26H26FN7O2/c1-16-20(6-7-24(27)23(16)11-28)25-13-32-8-9-33(12-19(32)14-36-25)26(35)22-4-2-17-10-18(3-5-21(17)22)34-15-29-30-31-34/h3,5-7,10,15,19,22,25H,2,4,8-9,12-14H2,1H3/t19-,22?,25-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290067
PNG
(US9573961, Example 52)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1c(F)cc(cc1F)-n1cnnn1
Show InChI InChI=1S/C24H22F3N7O2/c1-14-17(2-3-20(25)19(14)9-28)23-11-32-4-5-33(10-16(32)12-36-23)24(35)8-18-21(26)6-15(7-22(18)27)34-13-29-30-31-34/h2-3,6-7,13,16,23H,4-5,8,10-12H2,1H3/t16-,23-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290113
PNG
(US9573961, Example 98)
Show SMILES Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C26H26FN7O2/c1-16-20(6-7-24(27)23(16)11-28)25-13-32-8-9-33(12-19(32)14-36-25)26(35)22-4-2-17-10-18(3-5-21(17)22)34-15-29-30-31-34/h3,5-7,10,15,19,22,25H,2,4,8-9,12-14H2,1H3/t19-,22?,25+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290034
PNG
(US9573961, Example 19)
Show SMILES COc1cc(ccc1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H25N7O3/c1-33-22-11-18(4-5-19(22)12-25)23-14-29-8-9-30(13-21(29)15-34-23)24(32)10-17-2-6-20(7-3-17)31-16-26-27-28-31/h2-7,11,16,21,23H,8-10,13-15H2,1H3/t21-,23+/m1/s1
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n/an/a 170n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290068
PNG
(US9573961, Example 53)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1c(F)cc(cc1F)-n1cnnn1
Show InChI InChI=1S/C24H22F3N7O2/c1-14-17(2-3-20(25)19(14)9-28)23-11-32-4-5-33(10-16(32)12-36-23)24(35)8-18-21(26)6-15(7-22(18)27)34-13-29-30-31-34/h2-3,6-7,13,16,23H,4-5,8,10-12H2,1H3/t16-,23+/m1/s1
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n/an/a 180n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290073
PNG
(US9573961, Example 58)
Show SMILES Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cc(ccc1F)-n1cnnn1
Show InChI InChI=1S/C24H23F2N7O2/c1-15-19(3-5-22(26)20(15)10-27)23-12-31-6-7-32(11-18(31)13-35-23)24(34)9-16-8-17(2-4-21(16)25)33-14-28-29-30-33/h2-5,8,14,18,23H,6-7,9,11-13H2,1H3/t18-,23-/m1/s1
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n/an/a 180n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290042
PNG
(US9573961, Example 27)
Show SMILES COc1cc(F)c(cc1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H24FN7O3/c1-34-22-10-21(25)20(9-17(22)11-26)23-13-30-6-7-31(12-19(30)14-35-23)24(33)8-16-2-4-18(5-3-16)32-15-27-28-29-32/h2-5,9-10,15,19,23H,6-8,12-14H2,1H3/t19-,23-/m0/s1
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n/an/a 180n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290078
PNG
(US9573961, Example 63)
Show SMILES COc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3cc(ccc23)-n2cnnn2)c(C)c1C#N
Show InChI InChI=1S/C27H29N7O3/c1-17-21(7-8-25(36-2)24(17)12-28)26-14-32-9-10-33(13-20(32)15-37-26)27(35)23-5-3-18-11-19(4-6-22(18)23)34-16-29-30-31-34/h4,6-8,11,16,20,23,26H,3,5,9-10,13-15H2,1-2H3/t20-,23?,26-/m0/s1
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n/an/a 180n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290049
PNG
(US9573961, Example 34)
Show SMILES Cc1c(ccc(Cl)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H24ClN7O2/c1-16-20(6-7-22(25)21(16)11-26)23-13-30-8-9-31(12-19(30)14-34-23)24(33)10-17-2-4-18(5-3-17)32-15-27-28-29-32/h2-7,15,19,23H,8-10,12-14H2,1H3/t19-,23-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290106
PNG
(US9573961, Example 91 | US9573961, Example 92)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C27H28FN7O2/c1-17-21(7-8-25(28)24(17)12-29)26-14-33-9-10-34(13-20(33)15-37-26)27(36)23-4-2-3-18-11-19(5-6-22(18)23)35-16-30-31-32-35/h5-8,11,16,20,23,26H,2-4,9-10,13-15H2,1H3/t20-,23?,26-/m0/s1
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n/an/a 190n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290071
PNG
(US9573961, Example 56)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cccc(c1)-n1cnnn1
Show InChI InChI=1S/C24H24FN7O2/c1-16-20(5-6-22(25)21(16)11-26)23-13-30-7-8-31(12-19(30)14-34-23)24(33)10-17-3-2-4-18(9-17)32-15-27-28-29-32/h2-6,9,15,19,23H,7-8,10,12-14H2,1H3/t19-,23+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290064
PNG
(US9573961, Example 49)
Show SMILES Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H24FN7O2/c1-16-20(6-7-22(25)21(16)11-26)23-13-30-8-9-31(12-19(30)14-34-23)24(33)10-17-2-4-18(5-3-17)32-15-27-28-29-32/h2-7,15,19,23H,8-10,12-14H2,1H3/t19-,23-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290052
PNG
(US9573961, Example 37)
Show SMILES Cc1c(ccc(Cl)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C26H26ClN7O2/c1-16-20(6-7-24(27)23(16)11-28)25-13-32-8-9-33(12-19(32)14-36-25)26(35)22-4-2-17-10-18(3-5-21(17)22)34-15-29-30-31-34/h3,5-7,10,15,19,22,25H,2,4,8-9,12-14H2,1H3/t19-,22?,25-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290077
PNG
(US9573961, Example 62)
Show SMILES COc1ccc([C@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3cc(ccc23)-n2cnnn2)c(C)c1C#N
Show InChI InChI=1S/C27H29N7O3/c1-17-21(7-8-25(36-2)24(17)12-28)26-14-32-9-10-33(13-20(32)15-37-26)27(35)23-5-3-18-11-19(4-6-22(18)23)34-16-29-30-31-34/h4,6-8,11,16,20,23,26H,3,5,9-10,13-15H2,1-2H3/t20-,23?,26+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290093
PNG
(US9573961, Example 78)
Show SMILES O=C(C1CCc2cc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2nonc2c1
Show InChI InChI=1S/C24H24N8O3/c33-24(20-4-1-15-9-17(3-5-19(15)20)32-14-25-28-29-32)31-8-7-30-12-23(34-13-18(30)11-31)16-2-6-21-22(10-16)27-35-26-21/h2-3,5-6,9-10,14,18,20,23H,1,4,7-8,11-13H2/t18-,20?,23-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290083
PNG
(US9573961, Example 68)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cc1C#N)-n1cnnn1
Show InChI InChI=1S/C25H23FN8O2/c1-16-21(4-5-23(26)22(16)11-28)24-13-32-6-7-33(12-20(32)14-36-24)25(35)9-17-2-3-19(8-18(17)10-27)34-15-29-30-31-34/h2-5,8,15,20,24H,6-7,9,12-14H2,1H3/t20-,24+/m1/s1
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n/an/a 210n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290090
PNG
(US9573961, Example 75)
Show SMILES Cc1c(ccc2nonc12)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H24N8O3/c1-15-19(6-7-20-23(15)26-34-25-20)21-12-29-8-9-30(11-18(29)13-33-21)22(32)10-16-2-4-17(5-3-16)31-14-24-27-28-31/h2-7,14,18,21H,8-13H2,1H3/t18-,21+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290091
PNG
(US9573961, Example 76)
Show SMILES Cc1c(ccc2nonc12)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H24N8O3/c1-15-19(6-7-20-23(15)26-34-25-20)21-12-29-8-9-30(11-18(29)13-33-21)22(32)10-16-2-4-17(5-3-16)31-14-24-27-28-31/h2-7,14,18,21H,8-13H2,1H3/t18-,21-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290096
PNG
(US9573961, Example 81)
Show SMILES Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C27H28N6O4/c1-16-20(6-7-23-24(16)14-37-27(23)35)25-12-31-8-9-32(11-19(31)13-36-25)26(34)22-4-2-17-10-18(3-5-21(17)22)33-15-28-29-30-33/h3,5-7,10,15,19,22,25H,2,4,8-9,11-14H2,1H3/t19-,22?,25+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290061
PNG
(US9573961, Example 46)
Show SMILES Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cccc(c1)-n1cnnn1
Show InChI InChI=1S/C24H24FN7O2/c1-16-20(5-6-22(25)21(16)11-26)23-13-30-7-8-31(12-19(30)14-34-23)24(33)10-17-3-2-4-18(9-17)32-15-27-28-29-32/h2-6,9,15,19,23H,7-8,10,12-14H2,1H3/t19-,23+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290033
PNG
(US9573961, Example 18)
Show SMILES COc1cc(ccc1C#N)[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H25N7O3/c1-33-22-11-18(4-5-19(22)12-25)23-14-29-8-9-30(13-21(29)15-34-23)24(32)10-17-2-6-20(7-3-17)31-16-26-27-28-31/h2-7,11,16,21,23H,8-10,13-15H2,1H3/t21-,23-/m1/s1
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n/an/a 250n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290085
PNG
(US9573961, Example 70)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1Cl)-n1cnnn1
Show InChI InChI=1S/C24H23ClFN7O2/c1-15-19(4-5-22(26)20(15)10-27)23-12-31-6-7-32(11-18(31)13-35-23)24(34)8-16-2-3-17(9-21(16)25)33-14-28-29-30-33/h2-5,9,14,18,23H,6-8,11-13H2,1H3/t18-,23-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290094
PNG
(US9573961, Example 79)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1c(F)cc(cc1F)-n1cnnn1
Show InChI InChI=1S/C25H24F2N6O4/c1-14-17(2-3-18-20(14)12-37-25(18)35)23-10-31-4-5-32(9-16(31)11-36-23)24(34)8-19-21(26)6-15(7-22(19)27)33-13-28-29-30-33/h2-3,6-7,13,16,23H,4-5,8-12H2,1H3/t16-,23+/m1/s1
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n/an/a 260n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290108
PNG
(US9573961, Example 93)
Show SMILES Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C27H28FN7O2/c1-17-21(7-8-25(28)24(17)12-29)26-14-33-9-10-34(13-20(33)15-37-26)27(36)23-4-2-3-18-11-19(5-6-22(18)23)35-16-30-31-32-35/h5-8,11,16,20,23,26H,2-4,9-10,13-15H2,1H3/t20-,23?,26+/m0/s1
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n/an/a 270n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290087
PNG
(US9573961, Example 72)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)CCc1cccc(c1)-n1cnnn1
Show InChI InChI=1S/C25H26FN7O2/c1-17-21(6-7-23(26)22(17)12-27)24-14-31-9-10-32(13-20(31)15-35-24)25(34)8-5-18-3-2-4-19(11-18)33-16-28-29-30-33/h2-4,6-7,11,16,20,24H,5,8-10,13-15H2,1H3/t20-,24-/m0/s1
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n/an/a 270n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290079
PNG
(US9573961, Example 64)
Show SMILES COc1cc(ccc1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C26H27N7O3/c1-35-24-11-18(2-3-19(24)12-27)25-14-31-8-9-32(13-21(31)15-36-25)26(34)23-6-4-17-10-20(5-7-22(17)23)33-16-28-29-30-33/h2-3,5,7,10-11,16,21,23,25H,4,6,8-9,13-15H2,1H3/t21-,23?,25+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290063
PNG
(US9573961, Example 48)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H24FN7O2/c1-16-20(6-7-22(25)21(16)11-26)23-13-30-8-9-31(12-19(30)14-34-23)24(33)10-17-2-4-18(5-3-17)32-15-27-28-29-32/h2-7,15,19,23H,8-10,12-14H2,1H3/t19-,23+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290027
PNG
(US9573961, Example 2A | US9573961, Example 2B)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C26H26FN7O2/c1-16-20(6-7-24(27)23(16)11-28)25-13-32-8-9-33(12-19(32)14-36-25)26(35)22-4-2-17-10-18(3-5-21(17)22)34-15-29-30-31-34/h3,5-7,10,15,19,22,25H,2,4,8-9,12-14H2,1H3/t19-,22?,25-/m0/s1
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n/an/a 290n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290119
PNG
(US9573961, Example 104)
Show SMILES C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C26H29N7O3/c1-17-10-20-12-19(4-7-23(20)26(35)36-17)24-15-31-8-9-32(14-22(31)13-27-24)25(34)11-18-2-5-21(6-3-18)33-16-28-29-30-33/h2-7,12,16-17,22,24,27H,8-11,13-15H2,1H3/t17-,22-,24-/m1/s1
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n/an/a 290n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290062
PNG
(US9573961, Example 47)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cccc(c1)-n1cnnn1
Show InChI InChI=1S/C24H24FN7O2/c1-16-20(5-6-22(25)21(16)11-26)23-13-30-7-8-31(12-19(30)14-34-23)24(33)10-17-3-2-4-18(9-17)32-15-27-28-29-32/h2-6,9,15,19,23H,7-8,10,12-14H2,1H3/t19-,23-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290044
PNG
(US9573961, Example 29)
Show SMILES COc1cc(CC(=O)N2CCN3C[C@H](OC[C@@H]3C2)c2ccc3C(=O)OCCc3c2)ccc1C#N
Show InChI InChI=1S/C26H27N3O5/c1-32-23-10-17(2-3-20(23)13-27)11-25(30)29-8-7-28-15-24(34-16-21(28)14-29)19-4-5-22-18(12-19)6-9-33-26(22)31/h2-5,10,12,21,24H,6-9,11,14-16H2,1H3/t21-,24-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290056
PNG
(US9573961, Example 41)
Show SMILES Cc1cc2C(=O)OCc2cc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C25H26N6O4/c1-16-8-22-18(13-35-25(22)33)10-21(16)23-12-29-6-7-30(11-20(29)14-34-23)24(32)9-17-2-4-19(5-3-17)31-15-26-27-28-31/h2-5,8,10,15,20,23H,6-7,9,11-14H2,1H3/t20-,23-/m0/s1
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n/an/a 320n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290060
PNG
(US9573961, Example 45)
Show SMILES CC(C(=O)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc(F)c(C#N)c1C)c1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C25H26FN7O2/c1-16(18-3-5-19(6-4-18)33-15-28-29-30-33)25(34)32-10-9-31-13-24(35-14-20(31)12-32)21-7-8-23(26)22(11-27)17(21)2/h3-8,15-16,20,24H,9-10,12-14H2,1-2H3/t16?,20-,24-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290043
PNG
(US9573961, Example 28)
Show SMILES COc1cc(CC(=O)N2CCN3C[C@@H](OC[C@H]3C2)c2ccc3C(=O)OCCc3c2)ccc1C#N
Show InChI InChI=1S/C26H27N3O5/c1-32-23-10-17(2-3-20(23)13-27)11-25(30)29-8-7-28-15-24(34-16-21(28)14-29)19-4-5-22-18(12-19)6-9-33-26(22)31/h2-5,10,12,21,24H,6-9,11,14-16H2,1H3/t21-,24-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290097
PNG
(US9573961, Example 82 | US9573961, Example 83)
Show SMILES Cc1c(csc1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C24H25N7O2S/c1-15-21(13-34-23(15)9-25)22-11-29-6-7-30(10-18(29)12-33-22)24(32)20-4-2-16-8-17(3-5-19(16)20)31-14-26-27-28-31/h3,5,8,13-14,18,20,22H,2,4,6-7,10-12H2,1H3/t18-,20?,22-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290076
PNG
(US9573961, Example 61)
Show SMILES Cc1c(CC(=O)N2CCN3C[C@@H](OC[C@H]3C2)c2ccc(F)c(C#N)c2C)cccc1-n1cnnn1
Show InChI InChI=1S/C25H26FN7O2/c1-16-18(4-3-5-23(16)33-15-28-29-30-33)10-25(34)32-9-8-31-13-24(35-14-19(31)12-32)20-6-7-22(26)21(11-27)17(20)2/h3-7,15,19,24H,8-10,12-14H2,1-2H3/t19-,24-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290120
PNG
(US9573961, Example 105)
Show SMILES C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1c(F)cc(cc1F)-n1cnnn1
Show InChI InChI=1S/C26H27F2N7O3/c1-15-6-17-7-16(2-3-20(17)26(37)38-15)24-13-33-4-5-34(12-19(33)11-29-24)25(36)10-21-22(27)8-18(9-23(21)28)35-14-30-31-32-35/h2-3,7-9,14-15,19,24,29H,4-6,10-13H2,1H3/t15-,19-,24-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290074
PNG
(US9573961, Example 59)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cc(ccc1F)-n1cnnn1
Show InChI InChI=1S/C24H23F2N7O2/c1-15-19(3-5-22(26)20(15)10-27)23-12-31-6-7-32(11-18(31)13-35-23)24(34)9-16-8-17(2-4-21(16)25)33-14-28-29-30-33/h2-5,8,14,18,23H,6-7,9,11-13H2,1H3/t18-,23+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290059
PNG
(US9573961, Example 44 | US9573961, Example 74)
Show SMILES Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1Cc2ccc(cc2C1)-n1cnnn1
Show InChI InChI=1S/C26H26FN7O2/c1-16-22(4-5-24(27)23(16)11-28)25-13-32-6-7-33(12-21(32)14-36-25)26(35)19-8-17-2-3-20(10-18(17)9-19)34-15-29-30-31-34/h2-5,10,15,19,21,25H,6-9,12-14H2,1H3/t19?,21-,25+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290059
PNG
(US9573961, Example 44 | US9573961, Example 74)
Show SMILES Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1Cc2ccc(cc2C1)-n1cnnn1
Show InChI InChI=1S/C26H26FN7O2/c1-16-22(4-5-24(27)23(16)11-28)25-13-32-6-7-33(12-21(32)14-36-25)26(35)19-8-17-2-3-20(10-18(17)9-19)34-15-29-30-31-34/h2-5,10,15,19,21,25H,6-9,12-14H2,1H3/t19?,21-,25+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290081
PNG
(US9573961, Example 66)
Show SMILES COc1cc(ccc1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C26H27N7O3/c1-35-24-11-18(2-3-19(24)12-27)25-14-31-8-9-32(13-21(31)15-36-25)26(34)23-6-4-17-10-20(5-7-22(17)23)33-16-28-29-30-33/h2-3,5,7,10-11,16,21,23,25H,4,6,8-9,13-15H2,1H3/t21-,23?,25+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290103
PNG
(US9573961, Example 88)
Show SMILES Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C28H30N6O4/c1-17-21(7-8-24-25(17)15-38-28(24)36)26-13-32-9-10-33(12-20(32)14-37-26)27(35)23-4-2-3-18-11-19(5-6-22(18)23)34-16-29-30-31-34/h5-8,11,16,20,23,26H,2-4,9-10,12-15H2,1H3/t20-,23?,26+/m0/s1
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n/an/a 380n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290080
PNG
(US9573961, Example 65)
Show SMILES COc1cc(ccc1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C26H27N7O3/c1-35-24-11-18(2-3-19(24)12-27)25-14-31-8-9-32(13-21(31)15-36-25)26(34)23-6-4-17-10-20(5-7-22(17)23)33-16-28-29-30-33/h2-3,5,7,10-11,16,21,23,25H,4,6,8-9,13-15H2,1H3/t21-,23?,25-/m0/s1
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n/an/a 400n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290099
PNG
(US9573961, Example 84 | US9573961, Example 85)
Show SMILES C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C28H30N6O4/c1-17-10-20-11-19(3-5-24(20)28(36)38-17)26-14-32-8-9-33(13-22(32)15-37-26)27(35)25-6-2-18-12-21(4-7-23(18)25)34-16-29-30-31-34/h3-5,7,11-12,16-17,22,25-26H,2,6,8-10,13-15H2,1H3/t17-,22+,25?,26+/m1/s1
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n/an/a 400n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290115
PNG
(US9573961, Example 100)
Show SMILES Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C25H27N7O3/c1-16-20(6-7-21-22(16)14-35-25(21)34)23-13-30-8-9-31(12-19(30)11-26-23)24(33)10-17-2-4-18(5-3-17)32-15-27-28-29-32/h2-7,15,19,23,26H,8-14H2,1H3/t19-,23-/m1/s1
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n/an/a 430n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290105
PNG
(US9573961, Example 90)
Show SMILES O=C(C1CCCc2cc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1
Show InChI InChI=1S/C28H30N6O4/c35-27(25-3-1-2-18-13-21(5-7-23(18)25)34-17-29-30-31-34)33-10-9-32-15-26(38-16-22(32)14-33)20-4-6-24-19(12-20)8-11-37-28(24)36/h4-7,12-13,17,22,25-26H,1-3,8-11,14-16H2/t22-,25?,26-/m0/s1
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n/an/a 430n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290075
PNG
(US9573961, Example 60)
Show SMILES Cc1c(CC(=O)N2CCN3C[C@H](OC[C@H]3C2)c2ccc(F)c(C#N)c2C)cccc1-n1cnnn1
Show InChI InChI=1S/C25H26FN7O2/c1-16-18(4-3-5-23(16)33-15-28-29-30-33)10-25(34)32-9-8-31-13-24(35-14-19(31)12-32)20-6-7-22(26)21(11-27)17(20)2/h3-7,15,19,24H,8-10,12-14H2,1-2H3/t19-,24+/m1/s1
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n/an/a 440n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290111
PNG
(US9573961, Example 96)
Show SMILES Cc1c(csc1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C25H27N7O2S/c1-16-22(14-35-24(16)10-26)23-12-30-7-8-31(11-19(30)13-34-23)25(33)21-4-2-3-17-9-18(5-6-20(17)21)32-15-27-28-29-32/h5-6,9,14-15,19,21,23H,2-4,7-8,11-13H2,1H3/t19-,21?,23-/m0/s1
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n/an/a 460n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290086
PNG
(US9573961, Example 71)
Show SMILES Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)CCc1cccc(c1)-n1cnnn1
Show InChI InChI=1S/C26H28N6O4/c1-17-21(6-7-22-23(17)15-36-26(22)34)24-13-30-9-10-31(12-20(30)14-35-24)25(33)8-5-18-3-2-4-19(11-18)32-16-27-28-29-32/h2-4,6-7,11,16,20,24H,5,8-10,12-15H2,1H3/t20-,24+/m0/s1
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n/an/a 490n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290104
PNG
(US9573961, Example 89)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C28H30N6O4/c1-17-21(7-8-24-25(17)15-38-28(24)36)26-13-32-9-10-33(12-20(32)14-37-26)27(35)23-4-2-3-18-11-19(5-6-22(18)23)34-16-29-30-31-34/h5-8,11,16,20,23,26H,2-4,9-10,12-15H2,1H3/t20-,23?,26-/m0/s1
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n/an/a 490n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290109
PNG
(US9573961, Example 94)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C27H28FN7O2/c1-17-21(7-8-25(28)24(17)12-29)26-14-33-9-10-34(13-20(33)15-37-26)27(36)23-4-2-3-18-11-19(5-6-22(18)23)35-16-30-31-32-35/h5-8,11,16,20,23,26H,2-4,9-10,13-15H2,1H3/t20-,23?,26+/m1/s1
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n/an/a 520n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290046
PNG
(US9573961, Example 31)
Show SMILES COc1cc(CC(=O)N2CCN3C[C@@H](OC[C@H]3C2)c2ccc3C(=O)OCCc3c2)c(F)cc1C#N
Show InChI InChI=1S/C26H26FN3O5/c1-33-23-10-18(22(27)9-19(23)12-28)11-25(31)30-6-5-29-14-24(35-15-20(29)13-30)17-2-3-21-16(8-17)4-7-34-26(21)32/h2-3,8-10,20,24H,4-7,11,13-15H2,1H3/t20-,24-/m1/s1
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n/an/a 570n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290035
PNG
(US9573961, Example 20)
Show SMILES Clc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H23ClN6O4/c25-23-19(6-5-18-20(23)13-35-24(18)33)21-11-29-7-8-30(10-17(29)12-34-21)22(32)9-15-1-3-16(4-2-15)31-14-26-27-28-31/h1-6,14,17,21H,7-13H2/t17-,21-/m0/s1
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n/an/a 580n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290110
PNG
(US9573961, Example 95)
Show SMILES Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C27H28FN7O2/c1-17-21(7-8-25(28)24(17)12-29)26-14-33-9-10-34(13-20(33)15-37-26)27(36)23-4-2-3-18-11-19(5-6-22(18)23)35-16-30-31-32-35/h5-8,11,16,20,23,26H,2-4,9-10,13-15H2,1H3/t20-,23?,26-/m1/s1
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n/an/a 580n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290112
PNG
(US9573961, Example 97)
Show SMILES Cc1c(csc1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C25H27N7O2S/c1-16-22(14-35-24(16)10-26)23-12-30-7-8-31(11-19(30)13-34-23)25(33)21-4-2-3-17-9-18(5-6-20(17)21)32-15-27-28-29-32/h5-6,9,14-15,19,21,23H,2-4,7-8,11-13H2,1H3/t19-,21?,23+/m0/s1
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n/an/a 620n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290066
PNG
(US9573961, Example 51)
Show SMILES Cc1c2COC(=O)c2ccc1C1CN2CCN(CCC2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C26H28N6O4/c1-17-21(6-7-22-23(17)15-36-26(22)34)24-13-31-11-10-30(9-8-20(31)14-35-24)25(33)12-18-2-4-19(5-3-18)32-16-27-28-29-32/h2-7,16,20,24H,8-15H2,1H3
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n/an/a 690n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290051
PNG
(US9573961, Example 36)
Show SMILES Cc1c(ccc(Cl)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C26H26ClN7O2/c1-16-20(6-7-24(27)23(16)11-28)25-13-32-8-9-33(12-19(32)14-36-25)26(35)22-4-2-17-10-18(3-5-21(17)22)34-15-29-30-31-34/h3,5-7,10,15,19,22,25H,2,4,8-9,12-14H2,1H3/t19-,22?,25+/m0/s1
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n/an/a 730n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290065
PNG
(US9573961, Example 50)
Show SMILES Cc1c2COC(=O)c2ccc1C1CN2CCCN(CC2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C26H28N6O4/c1-17-21(7-8-22-23(17)15-36-26(22)34)24-13-30-9-2-10-31(12-20(30)14-35-24)25(33)11-18-3-5-19(6-4-18)32-16-27-28-29-32/h3-8,16,20,24H,2,9-15H2,1H3
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n/an/a 740n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290106
PNG
(US9573961, Example 91 | US9573961, Example 92)
Show SMILES Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1
Show InChI InChI=1S/C27H28FN7O2/c1-17-21(7-8-25(28)24(17)12-29)26-14-33-9-10-34(13-20(33)15-37-26)27(36)23-4-2-3-18-11-19(5-6-22(18)23)35-16-30-31-32-35/h5-8,11,16,20,23,26H,2-4,9-10,13-15H2,1H3/t20-,23?,26-/m0/s1
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n/an/a 740n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM290050
PNG
(US9573961, Example 35)
Show SMILES Cc1c(ccc(Cl)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H24ClN7O2/c1-16-20(6-7-22(25)21(16)11-26)23-13-30-8-9-31(12-19(30)14-34-23)24(33)10-17-2-4-18(5-3-17)32-15-27-28-29-32/h2-7,15,19,23H,8-10,12-14H2,1H3/t19-,23+/m0/s1
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n/an/a 760n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)

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