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Patent code US9108947

Compile Data Set for Download or QSAR
Found 18 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 (Human))		BDBM161045
PNG
(US9108947, 20)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CNC1CCCN(C1)c1ccc(cn1)[N+]#[C-] |r|
Show InChI InChI=1S/C22H24N4O3/c1-14-17(6-7-18-19(14)13-29-22(18)28)20(27)11-24-16-4-3-9-26(12-16)21-8-5-15(23-2)10-25-21/h5-8,10,16,20,24,27H,3-4,9,11-13H2,1H3/t16?,20-/m0/s1
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n/an/a 52n/an/an/an/a7.437



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.RT...

US Patent US9108947 (2015)


BindingDB Entry DOI: 10.7270/Q2V40SZT
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM161043
PNG
(US9108947, 18)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCC1CNc1ccc(cn1)[N+]#[C-] |r|
Show InChI InChI=1S/C22H24N4O3/c1-14-17(6-7-18-19(14)13-29-22(18)28)20(27)12-26-9-3-4-16(26)11-25-21-8-5-15(23-2)10-24-21/h5-8,10,16,20,27H,3-4,9,11-13H2,1H3,(H,24,25)/t16?,20-/m0/s1
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n/an/a 65n/an/an/an/a7.437



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.RT...

US Patent US9108947 (2015)


BindingDB Entry DOI: 10.7270/Q2V40SZT
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM161046
PNG
(US9108947, 21)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC(C)(CNc2ccc(cn2)[N+]#[C-])C1 |r|
Show InChI InChI=1S/C23H26N4O3/c1-15-17(5-6-18-19(15)12-30-22(18)29)20(28)11-27-9-8-23(2,14-27)13-26-21-7-4-16(24-3)10-25-21/h4-7,10,20,28H,8-9,11-14H2,1-2H3,(H,25,26)/t20-,23?/m0/s1
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n/an/a 103n/an/an/an/a7.437



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.RT...

US Patent US9108947 (2015)


BindingDB Entry DOI: 10.7270/Q2V40SZT
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM161040
PNG
(US9108947, 14)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC(CNS(=O)(=O)c2ccc(cc2)[N+]#[C-])C1 |r|
Show InChI InChI=1S/C22H23N3O5S/c1-14-18(7-8-19-20(14)13-30-22(19)27)21(26)12-25-10-15(11-25)9-24-31(28,29)17-5-3-16(23-2)4-6-17/h3-8,15,21,24,26H,9-13H2,1H3/t21-/m0/s1
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n/an/a 150n/an/an/an/a7.437



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.RT...

US Patent US9108947 (2015)


BindingDB Entry DOI: 10.7270/Q2V40SZT
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM161044
PNG
(US9108947, 19)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCC1CNS(=O)(=O)c1ccc(cc1)-n1cnnn1 |r|
Show InChI InChI=1S/C23H26N6O5S/c1-15-19(8-9-20-21(15)13-34-23(20)31)22(30)12-28-10-2-3-17(28)11-25-35(32,33)18-6-4-16(5-7-18)29-14-24-26-27-29/h4-9,14,17,22,25,30H,2-3,10-13H2,1H3/t17?,22-/m0/s1
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n/an/a 245n/an/an/an/a7.437



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.RT...

US Patent US9108947 (2015)


BindingDB Entry DOI: 10.7270/Q2V40SZT
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM161036
PNG
(US9108947, 9A | US9108947, 9B)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCC1CNCC(O)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C24H28N4O4/c1-15-18(5-6-19-20(15)14-32-24(19)31)23(30)13-28-8-2-3-17(28)11-26-12-22(29)21-7-4-16(9-25)10-27-21/h4-7,10,17,22-23,26,29-30H,2-3,8,11-14H2,1H3/t17?,22?,23-/m0/s1
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n/an/a 254n/an/an/an/a7.437



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.RT...

US Patent US9108947 (2015)


BindingDB Entry DOI: 10.7270/Q2V40SZT
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM161039
PNG
(US9108947, 13)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCCC1CNCC(O)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C25H30N4O4/c1-16-19(6-7-20-21(16)15-33-25(20)32)24(31)14-29-9-3-2-4-18(29)12-27-13-23(30)22-8-5-17(10-26)11-28-22/h5-8,11,18,23-24,27,30-31H,2-4,9,12-15H2,1H3/t18?,23?,24-/m0/s1
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n/an/a 269n/an/an/an/a7.437



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.RT...

US Patent US9108947 (2015)


BindingDB Entry DOI: 10.7270/Q2V40SZT
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM161034
PNG
(US9108947, 4)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCC1CNC(CO)c1ccc2C(=O)OCc2c1C |r|
Show InChI InChI=1S/C27H32N2O6/c1-15-18(5-7-20-22(15)13-34-26(20)32)24(12-30)28-10-17-4-3-9-29(17)11-25(31)19-6-8-21-23(16(19)2)14-35-27(21)33/h5-8,17,24-25,28,30-31H,3-4,9-14H2,1-2H3/t17?,24?,25-/m0/s1
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n/an/a 278n/an/an/an/a7.437



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.RT...

US Patent US9108947 (2015)


BindingDB Entry DOI: 10.7270/Q2V40SZT
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM161036
PNG
(US9108947, 9A | US9108947, 9B)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCC1CNCC(O)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C24H28N4O4/c1-15-18(5-6-19-20(15)14-32-24(19)31)23(30)13-28-8-2-3-17(28)11-26-12-22(29)21-7-4-16(9-25)10-27-21/h4-7,10,17,22-23,26,29-30H,2-3,8,11-14H2,1H3/t17?,22?,23-/m0/s1
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n/an/a 321n/an/an/an/a7.437



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.RT...

US Patent US9108947 (2015)


BindingDB Entry DOI: 10.7270/Q2V40SZT
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM161047
PNG
(US9108947, 22)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC(CNc2ccc(cn2)[N+]#[C-])(C1)c1ccccc1 |r|
Show InChI InChI=1S/C28H28N4O3/c1-19-22(9-10-23-24(19)16-35-27(23)34)25(33)15-32-13-12-28(18-32,20-6-4-3-5-7-20)17-31-26-11-8-21(29-2)14-30-26/h3-11,14,25,33H,12-13,15-18H2,1H3,(H,30,31)/t25-,28?/m0/s1
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n/an/a 340n/an/an/an/a7.437



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.RT...

US Patent US9108947 (2015)


BindingDB Entry DOI: 10.7270/Q2V40SZT
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM161032
PNG
(US9108947, 2)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CNC1(CCC1)C1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)C1 |r|
Show InChI InChI=1S/C30H36N2O6/c1-17-20(4-6-22-24(17)15-37-28(22)35)26(33)12-31-30(9-3-10-30)19-8-11-32(13-19)14-27(34)21-5-7-23-25(18(21)2)16-38-29(23)36/h4-7,19,26-27,31,33-34H,3,8-16H2,1-2H3/t19?,26-,27-/m0/s1
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n/an/a 420n/an/an/an/a7.437



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.RT...

US Patent US9108947 (2015)


BindingDB Entry DOI: 10.7270/Q2V40SZT
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM161035
PNG
(US9108947, 6)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCCC1CNC(CO)c1ccc2C(=O)OCc2c1C |r|
Show InChI InChI=1S/C28H34N2O6/c1-16-19(6-8-21-23(16)14-35-27(21)33)25(13-31)29-11-18-5-3-4-10-30(18)12-26(32)20-7-9-22-24(17(20)2)15-36-28(22)34/h6-9,18,25-26,29,31-32H,3-5,10-15H2,1-2H3/t18?,25?,26-/m0/s1
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n/an/a 446n/an/an/an/a7.437



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.RT...

US Patent US9108947 (2015)


BindingDB Entry DOI: 10.7270/Q2V40SZT
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM161033
PNG
(US9108947, 3)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CNCC1CCCN1C[C@H](O)c1ccc2C(=O)OCc2c1C |r|
Show InChI InChI=1S/C27H32N2O6/c1-15-18(5-7-20-22(15)13-34-26(20)32)24(30)11-28-10-17-4-3-9-29(17)12-25(31)19-6-8-21-23(16(19)2)14-35-27(21)33/h5-8,17,24-25,28,30-31H,3-4,9-14H2,1-2H3/t17?,24-,25-/m0/s1
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n/an/a 510n/an/an/an/a7.437



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.RT...

US Patent US9108947 (2015)


BindingDB Entry DOI: 10.7270/Q2V40SZT
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM161031
PNG
(US9108947, 1)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN[C@@H]1CCN(C[C@@H](O)c2ccc3C(=O)OCc3c2C)C1 |r|
Show InChI InChI=1S/C26H30N2O6/c1-14-17(3-5-19-21(14)12-33-25(19)31)23(29)9-27-16-7-8-28(10-16)11-24(30)18-4-6-20-22(15(18)2)13-34-26(20)32/h3-6,16,23-24,27,29-30H,7-13H2,1-2H3/t16-,23+,24-/m1/s1
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n/an/a 595n/an/an/an/a7.437



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.RT...

US Patent US9108947 (2015)


BindingDB Entry DOI: 10.7270/Q2V40SZT
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM161038
PNG
(US9108947, 12)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN[C@@H]1CCN(CC(O)c2ccc(cn2)C#N)C1 |r|
Show InChI InChI=1S/C23H26N4O4/c1-14-17(3-4-18-19(14)13-31-23(18)30)21(28)10-25-16-6-7-27(11-16)12-22(29)20-5-2-15(8-24)9-26-20/h2-5,9,16,21-22,25,28-29H,6-7,10-13H2,1H3/t16-,21+,22?/m1/s1
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n/an/a 1.37E+3n/an/an/an/a7.437



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.RT...

US Patent US9108947 (2015)


BindingDB Entry DOI: 10.7270/Q2V40SZT
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM161041
PNG
(US9108947, 15)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)[N+]#[C-] |r|
Show InChI InChI=1S/C22H23N3O5S/c1-14-18(7-8-19-20(14)13-30-22(19)27)21(26)12-25-10-9-16(11-25)24-31(28,29)17-5-3-15(23-2)4-6-17/h3-8,16,21,24,26H,9-13H2,1H3/t16-,21+/m1/s1
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n/an/a 1.39E+3n/an/an/an/a7.437



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.RT...

US Patent US9108947 (2015)


BindingDB Entry DOI: 10.7270/Q2V40SZT
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM161042
PNG
(US9108947, 17A)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CNC1C[C@H]2C[C@@H]1N(C[C@H](O)c1ccc3C(=O)OCc3c1C)C2 |r,TLB:21:20:15.16:18,THB:14:15:18:20.35|
Show InChI InChI=1S/C28H32N2O6/c1-14-17(3-5-19-21(14)12-35-27(19)33)25(31)9-29-23-7-16-8-24(23)30(10-16)11-26(32)18-4-6-20-22(15(18)2)13-36-28(20)34/h3-6,16,23-26,29,31-32H,7-13H2,1-2H3/t16-,23?,24-,25-,26-/m0/s1
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n/an/a 1.42E+3n/an/an/an/a7.437



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.RT...

US Patent US9108947 (2015)


BindingDB Entry DOI: 10.7270/Q2V40SZT
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM161037
PNG
(US9108947, 10)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC[C@H](C1)NCC(O)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C23H26N4O4/c1-14-17(3-4-18-19(14)13-31-23(18)30)22(29)12-27-7-6-16(11-27)25-10-21(28)20-5-2-15(8-24)9-26-20/h2-5,9,16,21-22,25,28-29H,6-7,10-13H2,1H3/t16-,21?,22+/m1/s1
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n/an/a 2.06E+3n/an/an/an/a7.437



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.RT...

US Patent US9108947 (2015)


BindingDB Entry DOI: 10.7270/Q2V40SZT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%