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Compile Data Set for Download or QSAR

Found 343 hits with Last Name = 'swensen' and Initial = 'am'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50391789
PNG
(CHEMBL2146757)
Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)C#N)CC2)cc1
Show InChI InChI=1S/C21H24N4O2/c22-17-20-3-1-18(2-4-20)9-11-23-13-15-24(16-14-23)12-10-19-5-7-21(8-6-19)25(26)27/h1-8H,9-16H2
PDB
MMDB

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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells


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


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


(Homo sapiens (Human))
BDBM50116796
PNG
(CHEMBL3612814)
Show SMILES Cc1nc(ccc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1/C24H28N4O4/c1-15-18(4-5-19-20(15)14-32-24(19)31)22(29)12-27-7-9-28(10-8-27)13-23(30)21-6-3-17(11-25)16(2)26-21/h3-6,22-23,29-30H,7-10,12-14H2,1-2H3/t22-,23?/s2
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by electrophysiology assay


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


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


(Homo sapiens (Human))
BDBM50116799
PNG
(CHEMBL3612928)
Show SMILES [2H]C([2H])([2H])Oc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1/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?/s2/i2D3
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by electrophysiology assay


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


BindingDB Entry DOI: 10.7270/Q27H1MCQ
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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-/s2
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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)


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


(Homo sapiens (Human))
BDBM50116799
PNG
(CHEMBL3612928)
Show SMILES [2H]C([2H])([2H])Oc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1/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?/s2/i2D3
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


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


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


(Homo sapiens (Human))
BDBM50116795
PNG
(CHEMBL3612807)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc(cn2)C#N)CC1 |r|
Show InChI InChI=1/C23H26N4O4/c1-15-17(3-4-18-19(15)14-31-23(18)30)21(28)12-26-6-8-27(9-7-26)13-22(29)20-5-2-16(10-24)11-25-20/h2-5,11,21-22,28-29H,6-9,12-14H2,1H3/t21-,22-/s2
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by electrophysiology assay


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


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


(Homo sapiens (Human))
BDBM50204287
PNG
(CHEMBL3964482)
Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1cnc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method


Bioorg Med Chem Lett 26: 5695-5702 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50399552
PNG
(CHEMBL1651027)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@@H](-[#8])-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@@H]-3-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-4-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-4-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@@H](-[#8])-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-3=O)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C120H182N38O43S6/c1-53(165)91-114(197)138-66(10-4-6-26-122)95(178)136-68(12-8-28-132-120(129)130)98(181)149-81(107(190)139-69(93(126)176)29-55-13-19-58(167)20-14-55)49-204-207-52-84-110(193)153-80-48-203-202-47-64(123)94(177)135-65(9-3-5-25-121)97(180)147-78(45-163)117(200)156-38-61(170)32-85(156)111(194)133-37-90(175)134-74(41-159)102(185)145-76(43-161)105(188)152-83(109(192)148-79(46-164)118(201)158-40-63(172)34-87(158)113(196)155-92(54(2)166)115(198)146-77(44-162)103(186)140-70(30-56-15-21-59(168)22-16-56)99(182)141-72(35-88(124)173)100(183)150-84)51-206-205-50-82(151-104(187)75(42-160)144-96(179)67(137-106(80)189)11-7-27-131-119(127)128)108(191)143-73(36-89(125)174)116(199)157-39-62(171)33-86(157)112(195)142-71(101(184)154-91)31-57-17-23-60(169)24-18-57/h13-24,53-54,61-87,91-92,159-172H,3-12,25-52,121-123H2,1-2H3,(H2,124,173)(H2,125,174)(H2,126,176)(H,133,194)(H,134,175)(H,135,177)(H,136,178)(H,137,189)(H,138,197)(H,139,190)(H,140,186)(H,141,182)(H,142,195)(H,143,191)(H,144,179)(H,145,185)(H,146,198)(H,147,180)(H,148,192)(H,149,181)(H,150,183)(H,151,187)(H,152,188)(H,153,193)(H,154,184)(H,155,196)(H4,127,128,131)(H4,129,130,132)/t53-,54-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,91+,92+/m1/s1
PDB

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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 expressed HEK293 cells assessed as inhibition of calcium flux by FLIPR assay in presence of 4 mM of potassium


J Med Chem 55: 9847-55 (2012)


Article DOI: 10.1021/jm301056k
BindingDB Entry DOI: 10.7270/Q26W9C7J
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
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/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells by whole-cell voltage clamp method


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


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50116799
PNG
(CHEMBL3612928)
Show SMILES [2H]C([2H])([2H])Oc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1/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?/s2/i2D3
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


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


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


(Homo sapiens (Human))
BDBM50116798
PNG
(CHEMBL3612926)
Show SMILES CCOc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1/C25H30N4O5/c1-3-33-24-10-21(27-12-17(24)11-26)23(31)14-29-8-6-28(7-9-29)13-22(30)18-4-5-19-20(16(18)2)15-34-25(19)32/h4-5,10,12,22-23,30-31H,3,6-9,13-15H2,1-2H3/t22-,23?/s2
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


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


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


(Homo sapiens (Human))
BDBM50163360
PNG
(CHEMBL3792978)
Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1/C23H24FN7O3/c1-15-17(3-4-18-19(15)13-34-23(18)33)20(24)12-29-6-8-30(9-7-29)22(32)10-16-2-5-21(25-11-16)31-14-26-27-28-31/h2-5,11,14,20H,6-10,12-13H2,1H3
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells by whole-cell voltage clamp method


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


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
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=1/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-/s2
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by electrophysiology assay


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


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


(Homo sapiens (Human))
BDBM50204272
PNG
(CHEMBL3964139)
Show SMILES [H][C@@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1cccc(C#N)c1C |r|
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method


Bioorg Med Chem Lett 26: 5695-5702 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50163371
PNG
(CHEMBL3794155)
Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C22H23N7O3/c30-21(12-17-2-4-20(23-13-17)29-15-24-25-26-29)28-9-7-27(8-10-28)6-5-16-1-3-19-18(11-16)14-32-22(19)31/h1-4,11,13,15H,5-10,12,14H2
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells by whole-cell voltage clamp method


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


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50116798
PNG
(CHEMBL3612926)
Show SMILES CCOc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1/C25H30N4O5/c1-3-33-24-10-21(27-12-17(24)11-26)23(31)14-29-8-6-28(7-9-29)13-22(30)18-4-5-19-20(16(18)2)15-34-25(19)32/h4-5,10,12,22-23,30-31H,3,6-9,13-15H2,1-2H3/t22-,23?/s2
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


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


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


(Homo sapiens (Human))
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=1/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-/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


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


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


(Homo sapiens (Human))
BDBM50204275
PNG
(CHEMBL3974889)
Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1cnc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method


Bioorg Med Chem Lett 26: 5695-5702 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50116829
PNG
(CHEMBL3612796)
Show SMILES COc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3C)CC2)ccc1C#N
Show InChI InChI=1S/C25H29N3O3/c1-18-20(5-6-22-23(18)17-31-25(22)29)8-10-28-13-11-27(12-14-28)9-7-19-3-4-21(16-26)24(15-19)30-2/h3-6,15H,7-14,17H2,1-2H3
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n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


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


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


(Homo sapiens (Human))
BDBM50204274
PNG
(CHEMBL3911740)
Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method


Bioorg Med Chem Lett 26: 5695-5702 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50442608
PNG
(CHEMBL2441420)
Show SMILES Fc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H23FN6O3/c24-22-17(3-6-19-20(22)14-33-23(19)32)7-8-28-9-11-29(12-10-28)21(31)13-16-1-4-18(5-2-16)30-15-25-26-27-30/h1-6,15H,7-14H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel by electrophysiology assay


Bioorg Med Chem Lett 23: 5829-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.104
BindingDB Entry DOI: 10.7270/Q28K7BHG
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50204273
PNG
(CHEMBL3920038)
Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1cnc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method


Bioorg Med Chem Lett 26: 5695-5702 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50399552
PNG
(CHEMBL1651027)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@@H](-[#8])-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@@H]-3-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-4-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-4-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@@H](-[#8])-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-3=O)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C120H182N38O43S6/c1-53(165)91-114(197)138-66(10-4-6-26-122)95(178)136-68(12-8-28-132-120(129)130)98(181)149-81(107(190)139-69(93(126)176)29-55-13-19-58(167)20-14-55)49-204-207-52-84-110(193)153-80-48-203-202-47-64(123)94(177)135-65(9-3-5-25-121)97(180)147-78(45-163)117(200)156-38-61(170)32-85(156)111(194)133-37-90(175)134-74(41-159)102(185)145-76(43-161)105(188)152-83(109(192)148-79(46-164)118(201)158-40-63(172)34-87(158)113(196)155-92(54(2)166)115(198)146-77(44-162)103(186)140-70(30-56-15-21-59(168)22-16-56)99(182)141-72(35-88(124)173)100(183)150-84)51-206-205-50-82(151-104(187)75(42-160)144-96(179)67(137-106(80)189)11-7-27-131-119(127)128)108(191)143-73(36-89(125)174)116(199)157-39-62(171)33-86(157)112(195)142-71(101(184)154-91)31-57-17-23-60(169)24-18-57/h13-24,53-54,61-87,91-92,159-172H,3-12,25-52,121-123H2,1-2H3,(H2,124,173)(H2,125,174)(H2,126,176)(H,133,194)(H,134,175)(H,135,177)(H,136,178)(H,137,189)(H,138,197)(H,139,190)(H,140,186)(H,141,182)(H,142,195)(H,143,191)(H,144,179)(H,145,185)(H,146,198)(H,147,180)(H,148,192)(H,149,181)(H,150,183)(H,151,187)(H,152,188)(H,153,193)(H,154,184)(H,155,196)(H4,127,128,131)(H4,129,130,132)/t53-,54-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,91+,92+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 expressed HEK293 cells assessed as inhibition of calcium flux by FLIPR assay in presence of 30 mM of potassium


J Med Chem 55: 9847-55 (2012)


Article DOI: 10.1021/jm301056k
BindingDB Entry DOI: 10.7270/Q26W9C7J
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50116798
PNG
(CHEMBL3612926)
Show SMILES CCOc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1/C25H30N4O5/c1-3-33-24-10-21(27-12-17(24)11-26)23(31)14-29-8-6-28(7-9-29)13-22(30)18-4-5-19-20(16(18)2)15-34-25(19)32/h4-5,10,12,22-23,30-31H,3,6-9,13-15H2,1-2H3/t22-,23?/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by electrophysiology assay


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


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


(Homo sapiens (Human))
BDBM50204277
PNG
(CHEMBL3924012)
Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method


Bioorg Med Chem Lett 26: 5695-5702 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50116843
PNG
(CHEMBL3612811)
Show SMILES COc1cc(ccc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1/C25H29N3O5/c1-16-19(5-6-20-21(16)15-33-25(20)31)23(30)14-28-9-7-27(8-10-28)13-22(29)17-3-4-18(12-26)24(11-17)32-2/h3-6,11,22-23,29-30H,7-10,13-15H2,1-2H3/t22?,23-/s2
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n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


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


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


(Homo sapiens (Human))
BDBM196074
PNG
(US9206199, 179)
Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2nonc2c1 |r|
Show InChI InChI=1/C21H21N9O3/c31-21(7-14-1-4-20(22-9-14)30-13-23-26-27-30)29-6-5-28-11-19(32-12-16(28)10-29)15-2-3-17-18(8-15)25-33-24-17/h1-4,8-9,13,16,19H,5-7,10-12H2/t16-,19-/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method


Bioorg Med Chem Lett 26: 5695-5702 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50116797
PNG
(CHEMBL3612924)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CC(O)c2cc(C3CC3)c(cn2)C#N)CC1 |r|
Show InChI InChI=1/C26H30N4O4/c1-16-19(4-5-20-22(16)15-34-26(20)33)24(31)13-29-6-8-30(9-7-29)14-25(32)23-10-21(17-2-3-17)18(11-27)12-28-23/h4-5,10,12,17,24-25,31-32H,2-3,6-9,13-15H2,1H3/t24-,25?/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


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


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


(Homo sapiens (Human))
BDBM50116801
PNG
(CHEMBL3612806)
Show SMILES COc1cc(ncc1C#N)C(O)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1/C24H28N4O4/c1-16-17(3-4-19-20(16)15-32-24(19)30)5-6-27-7-9-28(10-8-27)14-22(29)21-11-23(31-2)18(12-25)13-26-21/h3-4,11,13,22,29H,5-10,14-15H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


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


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


(Homo sapiens (Human))
BDBM50116796
PNG
(CHEMBL3612814)
Show SMILES Cc1nc(ccc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1/C24H28N4O4/c1-15-18(4-5-19-20(15)14-32-24(19)31)22(29)12-27-7-9-28(10-8-27)13-23(30)21-6-3-17(11-25)16(2)26-21/h3-6,22-23,29-30H,7-10,12-14H2,1-2H3/t22-,23?/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


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


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


(Homo sapiens (Human))
BDBM50204285
PNG
(CHEMBL3913955)
Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1cccc(C#N)c1C |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method


Bioorg Med Chem Lett 26: 5695-5702 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50116797
PNG
(CHEMBL3612924)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CC(O)c2cc(C3CC3)c(cn2)C#N)CC1 |r|
Show InChI InChI=1/C26H30N4O4/c1-16-19(4-5-20-22(16)15-34-26(20)33)24(31)13-29-6-8-30(9-7-29)14-25(32)23-10-21(17-2-3-17)18(11-27)12-28-23/h4-5,10,12,17,24-25,31-32H,2-3,6-9,13-15H2,1H3/t24-,25?/s2
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n/an/a 54n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by electrophysiology assay


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


BindingDB Entry DOI: 10.7270/Q27H1MCQ
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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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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)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM195909
PNG
(US9206199, 1)
Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r|
Show InChI InChI=1/C24H25N7O4/c32-23(9-16-1-4-22(25-11-16)31-15-26-27-28-31)30-7-6-29-13-21(35-14-19(29)12-30)18-2-3-20-17(10-18)5-8-34-24(20)33/h1-4,10-11,15,19,21H,5-9,12-14H2/t19-,21-/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method


Bioorg Med Chem Lett 26: 5695-5702 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50204279
PNG
(CHEMBL3943156)
Show SMILES [H][C@@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method


Bioorg Med Chem Lett 26: 5695-5702 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50399551
PNG
(CHEMBL2180892)
Show SMILES COc1cccc(OC)c1CN1CCC(CC1)N(C1CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H29F3N2O4S/c1-32-22-7-4-8-23(33-2)21(22)16-28-13-11-19(12-14-28)29(18-9-10-18)34(30,31)20-6-3-5-17(15-20)24(25,26)27/h3-8,15,18-19H,9-14,16H2,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 expressed HEK293 cells assessed as inhibition of calcium flux by FLIPR assay in presence of 30 mM of potassium


J Med Chem 55: 9847-55 (2012)


Article DOI: 10.1021/jm301056k
BindingDB Entry DOI: 10.7270/Q26W9C7J
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50116827
PNG
(CHEMBL3612798)
Show SMILES COc1cc(CCN2CCN(CC(F)c3ccc4C(=O)OCc4c3C)CC2)ccc1C#N
Show InChI InChI=1/C25H28FN3O3/c1-17-20(5-6-21-22(17)16-32-25(21)30)23(26)15-29-11-9-28(10-12-29)8-7-18-3-4-19(14-27)24(13-18)31-2/h3-6,13,23H,7-12,15-16H2,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


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


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


(Homo sapiens (Human))
BDBM50116840
PNG
(CHEMBL3612813)
Show SMILES Cc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1/C24H28N4O4/c1-15-9-21(26-11-17(15)10-25)23(30)13-28-7-5-27(6-8-28)12-22(29)18-3-4-19-20(16(18)2)14-32-24(19)31/h3-4,9,11,22-23,29-30H,5-8,12-14H2,1-2H3/t22-,23?/s2
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n/an/a 61n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


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


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


(Homo sapiens (Human))
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/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel by electrophysiology assay


Bioorg Med Chem Lett 23: 5829-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.104
BindingDB Entry DOI: 10.7270/Q28K7BHG
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
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 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by electrophysiology assay


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


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


(Homo sapiens (Human))
BDBM50116796
PNG
(CHEMBL3612814)
Show SMILES Cc1nc(ccc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1/C24H28N4O4/c1-15-18(4-5-19-20(15)14-32-24(19)31)22(29)12-27-7-9-28(10-8-27)13-23(30)21-6-3-17(11-25)16(2)26-21/h3-6,22-23,29-30H,7-10,12-14H2,1-2H3/t22-,23?/s2
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n/an/a 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


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


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


(Homo sapiens (Human))
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 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells by whole-cell voltage clamp method


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


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
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 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel by electrophysiology assay


Bioorg Med Chem Lett 23: 5829-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.104
BindingDB Entry DOI: 10.7270/Q28K7BHG
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM195919
PNG
(US9206199, 22)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
Show InChI InChI=1/C24H25N7O4/c1-15-18(3-4-19-20(15)13-35-24(19)33)21-11-29-6-7-30(10-17(29)12-34-21)23(32)8-16-2-5-22(25-9-16)31-14-26-27-28-31/h2-5,9,14,17,21H,6-8,10-13H2,1H3/t17-,21-/s2
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method


Bioorg Med Chem Lett 26: 5695-5702 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
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 66n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells by whole-cell voltage clamp method


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


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50116800
PNG
(CHEMBL3612809)
Show SMILES COc1cc(ncc1C#N)[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1/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+/s2
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n/an/a 67n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


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


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


(Homo sapiens (Human))
BDBM50116840
PNG
(CHEMBL3612813)
Show SMILES Cc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1/C24H28N4O4/c1-15-9-21(26-11-17(15)10-25)23(30)13-28-7-5-27(6-8-28)12-22(29)18-3-4-19-20(16(18)2)14-32-24(19)31/h3-4,9,11,22-23,29-30H,5-8,12-14H2,1-2H3/t22-,23?/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


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


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


(Homo sapiens (Human))
BDBM50116820
PNG
(CHEMBL3612805)
Show SMILES COc1cc(ccc1C#N)C(O)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1/C25H29N3O4/c1-17-18(5-6-21-22(17)16-32-25(21)30)7-8-27-9-11-28(12-10-27)15-23(29)19-3-4-20(14-26)24(13-19)31-2/h3-6,13,23,29H,7-12,15-16H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


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


BindingDB Entry DOI: 10.7270/Q27H1MCQ
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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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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)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
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