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Compile Data Set for Download or QSAR

Found 321 hits of affinity data for UniProtKB/TrEMBL: P35560   
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


(Rattus norvegicus (Rat))
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 871-80 (2001)


Article DOI: 10.1016/S0893-133X(01)00298-6
BindingDB Entry DOI: 10.7270/Q25M648W
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM50022784
PNG
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 27: 699-711 (2002)


Article DOI: 10.1016/S0893-133X(02)00346-9
BindingDB Entry DOI: 10.7270/Q2GQ6W98
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 871-80 (2001)


Article DOI: 10.1016/S0893-133X(01)00298-6
BindingDB Entry DOI: 10.7270/Q25M648W
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pudue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 377-86 (2003)


Article DOI: 10.1124/jpet.102.045674
BindingDB Entry DOI: 10.7270/Q2TX3CX5
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM50094703
PNG
(5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1156-64 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6PSP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM194954
PNG
(US9206198, 7)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1|
Show InChI InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat Kir1.1 expressed in HEK293 cells by electrophysiology assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM350315
PNG
(US10208064, Example 30)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(CCc3ccc-4c(Cn5nnnc-45)c3)CC2)C1=O |t:1|
Show InChI InChI=1S/C23H26N6O3/c1-15-19(14-32-21(15)30)28-11-7-23(22(28)31)5-9-27(10-6-23)8-4-16-2-3-18-17(12-16)13-29-20(18)24-25-26-29/h2-3,12H,4-11,13-14H2,1H3
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n/an/a 6n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK1 expressed in HEK293 cells by Tl+ flux assay


J Med Chem 62: 8682-8694 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM155924
PNG
(US9018211, 5)
Show SMILES OC(CN1CCN(CC(O)c2ccc3C(=O)OCc3c2Cl)CC1)c1ccc2C(=O)OCc2c1Cl
Show InChI InChI=1S/C24H24Cl2N2O6/c25-21-15(3-1-13-17(21)11-33-23(13)31)19(29)9-27-5-7-28(8-6-27)10-20(30)16-4-2-14-18(22(16)26)12-34-24(14)32/h1-4,19-20,29-30H,5-12H2
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n/an/a 7n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWork...


US Patent US9018211 (2015)


BindingDB Entry DOI: 10.7270/Q2CC0ZDS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM350282
PNG
(US10208064, Example 2)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@@H](O)c3ccc-4c(Cn5nnnc-45)c3Cl)CC2)C1=O |r,t:1|
Show InChI InChI=1S/C23H25ClN6O4/c1-13-17(12-34-21(13)32)29-9-6-23(22(29)33)4-7-28(8-5-23)11-18(31)15-3-2-14-16(19(15)24)10-30-20(14)25-26-27-30/h2-3,18,31H,4-12H2,1H3/t18-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK1 expressed in HEK293 cells by Tl+ flux assay


J Med Chem 62: 8682-8694 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM155921
PNG
(US9018211, 2A)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1
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n/an/a 9n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWork...


US Patent US9018211 (2015)


BindingDB Entry DOI: 10.7270/Q2CC0ZDS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM155923
PNG
(US9018211, 2C)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24+
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n/an/a 10n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWork...


US Patent US9018211 (2015)


BindingDB Entry DOI: 10.7270/Q2CC0ZDS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM350300
PNG
(US10208064, Example 19)
Show SMILES C[C@H]1CC2(CCN(C[C@@H](O)c3ccc4c(ccc5nnnn45)c3)CC2)C(=O)N1C1=CC(=O)OC1 |r,t:33|
Show InChI InChI=1S/C24H26N6O4/c1-15-12-24(23(33)29(15)18-11-22(32)34-14-18)6-8-28(9-7-24)13-20(31)17-2-4-19-16(10-17)3-5-21-25-26-27-30(19)21/h2-5,10-11,15,20,31H,6-9,12-14H2,1H3/t15-,20+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK1 expressed in HEK293 cells by Tl+ flux assay


J Med Chem 62: 8682-8694 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM162868
PNG
(US9056859, 11)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCCN(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C24H26N6O3/c31-23(15-18-2-5-21(6-3-18)30-17-25-26-27-30)29-10-1-9-28(12-13-29)11-8-19-4-7-22-20(14-19)16-33-24(22)32/h2-7,14,17H,1,8-13,15-16H2
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n/an/a 12n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM155922
PNG
(US9018211, 2B)
Show SMILES Cc1c2COC(=O)c2ccc1[C@H](O)CN1CCN(C[C@@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWork...


US Patent US9018211 (2015)


BindingDB Entry DOI: 10.7270/Q2CC0ZDS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM155925
PNG
(US9018211, 12)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC(O)c2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1S/C26H30N2O5/c1-16-18(3-4-20-22(16)14-32-25(20)30)7-8-27-9-11-28(12-10-27)13-24(29)19-5-6-21-23(17(19)2)15-33-26(21)31/h3-6,24,29H,7-15H2,1-2H3
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n/an/a 13n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWork...


US Patent US9018211 (2015)


BindingDB Entry DOI: 10.7270/Q2CC0ZDS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM155926
PNG
(US9018211, 20)
Show SMILES COc1cc(ccc1C#N)C(O)CN1CCN(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C24H27N3O4/c1-30-23-13-18(3-4-19(23)14-25)22(28)15-27-10-8-26(9-11-27)7-6-17-2-5-21-20(12-17)16-31-24(21)29/h2-5,12-13,22,28H,6-11,15-16H2,1H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWork...


US Patent US9018211 (2015)


BindingDB Entry DOI: 10.7270/Q2CC0ZDS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM155928
PNG
(US9018211, 52)
Show SMILES COc1cc(ncc1C#N)[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1S/C24H28N4O5/c1-15-17(3-4-18-19(15)14-33-24(18)31)21(29)12-27-5-7-28(8-6-27)13-22(30)20-9-23(32-2)16(10-25)11-26-20/h3-4,9,11,21-22,29-30H,5-8,12-14H2,1-2H3/t21-,22-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK by thallium flux assay


ACS Med Chem Lett 6: 747-52 (2015)


Article DOI: 10.1021/ml500440u
BindingDB Entry DOI: 10.7270/Q27H1MCQ
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM155927
PNG
(US9018211, 22 (isomer 2))
Show SMILES COc1cc(C(O)CN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)c(F)cc1C#N
Show InChI InChI=1S/C24H26FN3O4/c1-31-23-12-20(21(25)11-17(23)13-26)22(29)14-28-8-6-27(7-9-28)5-4-16-2-3-19-18(10-16)15-32-24(19)30/h2-3,10-12,22,29H,4-9,14-15H2,1H3
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n/an/a 15n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWork...


US Patent US9018211 (2015)


BindingDB Entry DOI: 10.7270/Q2CC0ZDS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM50505263
PNG
(CHEMBL4586813)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(CC(CO)c3ccc4c(ccc5nnnn45)c3)CC2)C1=O |t:1|
Show InChI InChI=1S/C25H28N6O4/c1-16-21(15-35-23(16)33)30-11-8-25(24(30)34)6-9-29(10-7-25)13-19(14-32)17-2-4-20-18(12-17)3-5-22-26-27-28-31(20)22/h2-5,12,19,32H,6-11,13-15H2,1H3
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n/an/a 18n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK1 expressed in HEK293 cells by Tl+ flux assay


J Med Chem 62: 8682-8694 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM408663
PNG
((R)-5-cyano-N-(1-(2-hydroxy-2-(4-methyl-1-oxo-1,3-...)
Show SMILES COc1cc(ncc1C#N)C(=O)NC1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1S/C24H26N4O5/c1-14-17(3-4-18-19(14)13-33-24(18)31)21(29)12-28-7-5-16(6-8-28)27-23(30)20-9-22(32-2)15(10-25)11-26-20/h3-4,9,11,16,21,29H,5-8,12-13H2,1-2H3,(H,27,30)/t21-/m0/s1
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n/an/a 18.7n/an/an/an/an/an/a



JIANGSU HENGRUI MEDICINE CO., LTD.; SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
human ROMK and rat ROMK: 1. Materials and Instruments (1) FluxOR potassium ion channel assay (F10016, Invitrogen) (2) Ouabain (03125-1G, Sigma)...


US Patent US10759788 (2020)


BindingDB Entry DOI: 10.7270/Q23J3H29
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM162872
PNG
(US9056859, 72)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1S/C23H25N7O3/c1-16-18(3-4-19-20(16)14-33-23(19)32)6-7-28-8-10-29(11-9-28)22(31)12-17-2-5-21(24-13-17)30-15-25-26-27-30/h2-5,13,15H,6-12,14H2,1H3
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n/an/a 20n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM155929
PNG
(US9018211, 55)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCN(CC2CCc3c2ccc(F)c3[N+]#[C-])CC1
Show InChI InChI=1S/C26H28FN3O3/c1-16-18(5-6-21-22(16)15-33-26(21)32)24(31)14-30-11-9-29(10-12-30)13-17-3-4-20-19(17)7-8-23(27)25(20)28-2/h5-8,17,24,31H,3-4,9-15H2,1H3
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n/an/a 23n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWork...


US Patent US9018211 (2015)


BindingDB Entry DOI: 10.7270/Q2CC0ZDS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM162870
PNG
(US9056859, 48)
Show SMILES COc1cc(CC(=O)N2CCN(CCc3ccc4C(=O)OCc4c3C)CC2)c(F)cc1C#N
Show InChI InChI=1S/C25H26FN3O4/c1-16-17(3-4-20-21(16)15-33-25(20)31)5-6-28-7-9-29(10-8-28)24(30)13-18-12-23(32-2)19(14-27)11-22(18)26/h3-4,11-12H,5-10,13,15H2,1-2H3
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n/an/a 35n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM155928
PNG
(US9018211, 52)
Show SMILES COc1cc(ncc1C#N)[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1S/C24H28N4O5/c1-15-17(3-4-18-19(15)14-33-24(18)31)21(29)12-27-5-7-28(8-6-27)13-22(30)20-9-23(32-2)16(10-25)11-26-20/h3-4,9,11,21-22,29-30H,5-8,12-14H2,1-2H3/t21-,22-/m0/s1
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n/an/a 36n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWork...


US Patent US9018211 (2015)


BindingDB Entry DOI: 10.7270/Q2CC0ZDS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM162874
PNG
(US9056859, 122)
Show SMILES Cc1c(CCN2CCN(CC2)C(=O)Cc2ccc(cc2)-n2cnnn2)ccc(F)c1[N+]#[C-]
Show InChI InChI=1S/C23H24FN7O/c1-17-19(5-8-21(24)23(17)25-2)9-10-29-11-13-30(14-12-29)22(32)15-18-3-6-20(7-4-18)31-16-26-27-28-31/h3-8,16H,9-15H2,1H3
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n/an/a 37n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM50249183
PNG
(CHEMBL4069245)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r|
Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay


Bioorg Med Chem Lett 27: 2559-2566 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.086
BindingDB Entry DOI: 10.7270/Q2BV7K1G
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163767
PNG
(US9062070, 22)
Show SMILES Fc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3cc(ncc23)-n2cnnn2)c(F)c1[N+]#[C-] |r|
Show InChI InChI=1S/C24H22F2N8O2/c1-27-23-19(25)5-4-17(22(23)26)20-11-32-6-7-33(10-15(32)12-36-20)24(35)16-3-2-14-8-21(28-9-18(14)16)34-13-29-30-31-34/h4-5,8-9,13,15-16,20H,2-3,6-7,10-12H2/t15-,16?,20-/m0/s1
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n/an/a 40n/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 US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
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 40n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by thallium flux assay


Bioorg Med Chem Lett 27: 1109-1114 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
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 40n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by thallium flux assay


Bioorg Med Chem Lett 27: 1109-1114 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM50505261
PNG
(CHEMBL4456474)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc-4c(Cn5nnnc-45)c3)C[C@H]2F)C1=O |r,t:1|
Show InChI InChI=1S/C23H25FN6O4/c1-13-17(12-34-21(13)32)29-7-5-23(22(29)33)4-6-28(11-19(23)24)10-18(31)14-2-3-16-15(8-14)9-30-20(16)25-26-27-30/h2-3,8,18-19,31H,4-7,9-12H2,1H3/t18-,19+,23?/m0/s1
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n/an/a 43n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK1 expressed in HEK293 cells by Tl+ flux assay


J Med Chem 62: 8682-8694 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163826
PNG
(US9062070, 81 | US9062070, 82)
Show SMILES Fc1ccc([C@@H]2CN3CCN(C[C@@H]3CO2)C(=O)C2CCc3nc(ncc23)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
Show InChI InChI=1S/C23H21ClFN9O2/c1-26-21-17(25)4-2-15(20(21)24)19-10-32-6-7-33(9-13(32)11-36-19)22(35)14-3-5-18-16(14)8-27-23(29-18)34-12-28-30-31-34/h2,4,8,12-14,19H,3,5-7,9-11H2/t13-,14?,19+/m1/s1
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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 US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM50391781
PNG
(CHEMBL2146873 | US9073882, 38)
Show SMILES Fc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
Show InChI InChI=1S/C23H24FN3O2/c24-22-14-18(1-3-19(22)15-25)6-8-27-11-9-26(10-12-27)7-5-17-2-4-21-20(13-17)16-29-23(21)28/h1-4,13-14H,5-12,16H2
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n/an/a 55n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK channel expressed in HEk293 cells assessed as inhibition of thallium efflux by fluorescence assay


ACS Med Chem Lett 3: 367-372 (2012)


Article DOI: 10.1021/ml3000066
BindingDB Entry DOI: 10.7270/Q2MK6DZV
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM162872
PNG
(US9056859, 72)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1S/C23H25N7O3/c1-16-18(3-4-19-20(16)14-33-23(19)32)6-7-28-8-10-29(11-9-28)22(31)12-17-2-5-21(24-13-17)30-15-25-26-27-30/h2-5,13,15H,6-12,14H2,1H3
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n/an/a 56n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.035
BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM162876
PNG
(US9056859, 217)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C2CC12)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
Show InChI InChI=1S/C24H25N7O4/c1-14-16(3-4-17-18(14)12-35-24(17)34)21(32)11-29-6-7-30(20-9-19(20)29)23(33)8-15-2-5-22(25-10-15)31-13-26-27-28-31/h2-5,10,13,19-21,32H,6-9,11-12H2,1H3/t19?,20?,21-/m0/s1
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n/an/a 56n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163800
PNG
(US9062070, 55 | US9062070, 56)
Show SMILES O=C(C1CCc2cc(ncc12)-n1cnnn1)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r|
Show InChI InChI=1S/C25H25N7O4/c33-24(20-4-1-15-8-23(26-9-21(15)20)32-14-27-28-29-32)31-6-5-30-11-22(35-13-18(30)10-31)16-2-3-19-17(7-16)12-36-25(19)34/h2-3,7-9,14,18,20,22H,1,4-6,10-13H2/t18-,20?,22+/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 US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163826
PNG
(US9062070, 81 | US9062070, 82)
Show SMILES Fc1ccc([C@@H]2CN3CCN(C[C@@H]3CO2)C(=O)C2CCc3nc(ncc23)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
Show InChI InChI=1S/C23H21ClFN9O2/c1-26-21-17(25)4-2-15(20(21)24)19-10-32-6-7-33(9-13(32)11-36-19)22(35)14-3-5-18-16(14)8-27-23(29-18)34-12-28-30-31-34/h2,4,8,12-14,19H,3,5-7,9-11H2/t13-,14?,19+/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 US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
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 60n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by thallium flux assay


Bioorg Med Chem Lett 27: 1109-1114 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163759
PNG
(US9062070, 15)
Show SMILES Cc1c(csc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 |r|
Show InChI InChI=1S/C23H24N8O2S/c1-14-18(12-34-22(14)24-2)20-10-29-7-8-30(9-15(29)11-33-20)23(32)17-3-5-19-16(17)4-6-21(26-19)31-13-25-27-28-31/h4,6,12-13,15,17,20H,3,5,7-11H2,1H3/t15-,17?,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 US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM50235197
PNG
(CHEMBL4086237)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2cnc(cn2)S(C)(=O)=O)CC1 |r|
Show InChI InChI=1S/C24H28N4O6S/c1-15-16(3-4-17-18(15)13-34-23(17)31)19(29)12-27-7-5-24(6-8-27)9-22(30)28(14-24)20-10-26-21(11-25-20)35(2,32)33/h3-4,10-11,19,29H,5-9,12-14H2,1-2H3/t19-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist affinity


Bioorg Med Chem Lett 27: 1109-1114 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163770
PNG
(US9062070, 25)
Show SMILES Fc1ccc([C@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3cc(ncc23)-n2cnnn2)c(F)c1[N+]#[C-] |r|
Show InChI InChI=1S/C24H22F2N8O2/c1-27-23-19(25)5-4-17(22(23)26)20-11-32-6-7-33(10-15(32)12-36-20)24(35)16-3-2-14-8-21(28-9-18(14)16)34-13-29-30-31-34/h4-5,8-9,13,15-16,20H,2-3,6-7,10-12H2/t15-,16?,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 US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM162872
PNG
(US9056859, 72)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1S/C23H25N7O3/c1-16-18(3-4-19-20(16)14-33-23(19)32)6-7-28-8-10-29(11-9-28)22(31)12-17-2-5-21(24-13-17)30-15-25-26-27-30/h2-5,13,15H,6-12,14H2,1H3
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK assessed as thallium flux after 30 mins in presence of ouabain by cell based FLIPR assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.035
BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM162873
PNG
(US9056859, 96)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
Show InChI InChI=1S/C25H27N7O3/c1-16-17(2-3-20-21(16)14-35-25(20)34)8-9-30-10-12-31(13-11-30)24(33)19-4-6-22-18(19)5-7-23(27-22)32-15-26-28-29-32/h2-3,5,7,15,19H,4,6,8-14H2,1H3
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n/an/a 61n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM50442595
PNG
(CHEMBL2441408 | US9056859, 12)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCCc3c2)CC1
Show InChI InChI=1S/C24H26N6O3/c31-23(16-18-1-4-21(5-2-18)30-17-25-26-27-30)29-12-10-28(11-13-29)9-7-19-3-6-22-20(15-19)8-14-33-24(22)32/h1-6,15,17H,7-14,16H2
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n/an/a 61n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM162869
PNG
(US9056859, 39)
Show SMILES Fc1cc(CCN2CCN(CC2)C(=O)Cc2ccc(cc2)-n2cnnn2)ccc1[N+]#[C-]
Show InChI InChI=1S/C22H22FN7O/c1-24-21-7-4-18(14-20(21)23)8-9-28-10-12-29(13-11-28)22(31)15-17-2-5-19(6-3-17)30-16-25-26-27-30/h2-7,14,16H,8-13,15H2
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n/an/a 63n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM50442600
PNG
(CHEMBL2441437 | US9056859, 1)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C23H24N6O3/c30-22(14-17-1-4-20(5-2-17)29-16-24-25-26-29)28-11-9-27(10-12-28)8-7-18-3-6-21-19(13-18)15-32-23(21)31/h1-6,13,16H,7-12,14-15H2
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n/an/a 65n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163777
PNG
(US9062070, 32)
Show SMILES Fc1ccc([C@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3cc(ncc23)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
Show InChI InChI=1S/C24H22ClFN8O2/c1-27-23-19(26)5-4-17(22(23)25)20-11-32-6-7-33(10-15(32)12-36-20)24(35)16-3-2-14-8-21(28-9-18(14)16)34-13-29-30-31-34/h4-5,8-9,13,15-16,20H,2-3,6-7,10-12H2/t15-,16?,20+/m0/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 US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM50163355
PNG
(CHEMBL3793685)
Show SMILES Cc1nc(ccc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1
Show InChI InChI=1S/C24H27N7O3/c1-16-18(3-5-20-21(16)14-34-24(20)33)7-8-29-9-11-30(12-10-29)23(32)13-19-4-6-22(26-17(19)2)31-15-25-27-28-31/h3-6,15H,7-14H2,1-2H3
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n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.035
BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM50163368
PNG
(CHEMBL3794427)
Show SMILES FC1(CCc2ccc3C(=O)OCc3c2)CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H24FN5O3/c25-24(8-7-18-3-6-21-19(13-18)15-33-23(21)32)9-11-29(12-10-24)22(31)14-17-1-4-20(5-2-17)30-16-26-27-28-30/h1-6,13,16H,7-12,14-15H2
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n/an/a 73n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.035
BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM50163353
PNG
(CHEMBL3793380)
Show SMILES Cc1cc(cnc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1
Show InChI InChI=1S/C24H27N7O3/c1-16-11-19(31-15-26-27-28-31)13-25-22(16)12-23(32)30-9-7-29(8-10-30)6-5-18-3-4-20-21(17(18)2)14-34-24(20)33/h3-4,11,13,15H,5-10,12,14H2,1-2H3
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n/an/a 79n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.035
BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163750
PNG
(US9062070, 6 | US9062070, 7)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 |r|
Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3/t16-,19?,22-/m0/s1
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n/an/a 80n/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 US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
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