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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50043535   
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))
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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n/an/a 38n/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))
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 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))
BDBM50442622
PNG
(CHEMBL2441414)
Show SMILES Cc1cc(ccc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1)-n1cnnn1
Show InChI InChI=1S/C24H26N6O3/c1-17-12-21(30-16-25-26-27-30)4-3-19(17)14-23(31)29-10-8-28(9-11-29)7-6-18-2-5-22-20(13-18)15-33-24(22)32/h2-5,12-13,16H,6-11,14-15H2,1H3
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n/an/a 71n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442609
PNG
(CHEMBL2441417)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H26N6O3/c1-17-19(4-7-21-22(17)15-33-24(21)32)8-9-28-10-12-29(13-11-28)23(31)14-18-2-5-20(6-3-18)30-16-25-26-27-30/h2-7,16H,8-15H2,1H3
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n/an/a 72n/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))
BDBM50442604
PNG
(CHEMBL2441433)
Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CC2)C(=O)Cc2ccc(cc2)-n2cnnn2)cc1
Show InChI InChI=1S/C21H23N7O3/c29-21(15-18-3-5-19(6-4-18)27-16-22-23-24-27)26-13-11-25(12-14-26)10-9-17-1-7-20(8-2-17)28(30)31/h1-8,16H,9-15H2
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
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-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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
Renal Outer Medullary Potassium (ROMK)


(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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK channel-mediated 86Rb+ flux


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))
BDBM50442601
PNG
(CHEMBL2441436)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3nonc3c2)CC1
Show InChI InChI=1S/C21H22N8O2/c30-21(14-16-1-4-18(5-2-16)29-15-22-25-26-29)28-11-9-27(10-12-28)8-7-17-3-6-19-20(13-17)24-31-23-19/h1-6,13,15H,7-12,14H2
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442609
PNG
(CHEMBL2441417)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H26N6O3/c1-17-19(4-7-21-22(17)15-33-24(21)32)8-9-28-10-12-29(13-11-28)23(31)14-18-2-5-20(6-3-18)30-16-25-26-27-30/h2-7,16H,8-15H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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
Renal Outer Medullary Potassium (ROMK)


(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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK channel-mediated 86Rb+ flux


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))
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442617
PNG
(CHEMBL2441421)
Show SMILES Clc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H23ClN6O3/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-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442619
PNG
(CHEMBL2441418)
Show SMILES CCc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C25H28N6O3/c1-2-21-19(5-8-22-23(21)16-34-25(22)33)9-10-29-11-13-30(14-12-29)24(32)15-18-3-6-20(7-4-18)31-17-26-27-28-31/h3-8,17H,2,9-16H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442621
PNG
(CHEMBL2441415)
Show SMILES O=C(Cc1ccc(cc1C1CC1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C26H28N6O3/c33-25(14-20-4-5-22(32-17-27-28-29-32)15-24(20)19-2-3-19)31-11-9-30(10-12-31)8-7-18-1-6-23-21(13-18)16-35-26(23)34/h1,4-6,13,15,17,19H,2-3,7-12,14,16H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442618
PNG
(CHEMBL2441419)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2C2CC2)CC1
Show InChI InChI=1S/C26H28N6O3/c33-24(15-18-1-6-21(7-2-18)32-17-27-28-29-32)31-13-11-30(12-14-31)10-9-20-5-8-22-23(16-35-26(22)34)25(20)19-3-4-19/h1-2,5-8,17,19H,3-4,9-16H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442611
PNG
(CHEMBL2441427)
Show SMILES Fc1cc(CCN2CCN(CC2)C(=O)Cc2ccc(cc2)-n2cnnn2)cc2COC(=O)c12
Show InChI InChI=1S/C23H23FN6O3/c24-20-12-17(11-18-14-33-23(32)22(18)20)5-6-28-7-9-29(10-8-28)21(31)13-16-1-3-19(4-2-16)30-15-25-26-27-30/h1-4,11-12,15H,5-10,13-14H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442593
PNG
(CHEMBL2441410)
Show SMILES COc1cc(CC(=O)N2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1-n1cnnn1
Show InChI InChI=1S/C24H26N6O4/c1-33-22-13-18(3-5-21(22)30-16-25-26-27-30)14-23(31)29-10-8-28(9-11-29)7-6-17-2-4-20-19(12-17)15-34-24(20)32/h2-5,12-13,16H,6-11,14-15H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442614
PNG
(CHEMBL2441424)
Show SMILES Fc1cc2C(=O)OCc2cc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H23FN6O3/c24-21-13-20-18(14-33-23(20)32)12-17(21)5-6-28-7-9-29(10-8-28)22(31)11-16-1-3-19(4-2-16)30-15-25-26-27-30/h1-4,12-13,15H,5-11,14H2
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n/an/a 460n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442615
PNG
(CHEMBL2441423)
Show SMILES Cc1cc2C(=O)OCc2cc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H26N6O3/c1-17-12-22-20(15-33-24(22)32)14-19(17)6-7-28-8-10-29(11-9-28)23(31)13-18-2-4-21(5-3-18)30-16-25-26-27-30/h2-5,12,14,16H,6-11,13,15H2,1H3
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n/an/a 460n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442602
PNG
(CHEMBL2441435)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2cccc(c2)C#N)CC1
Show InChI InChI=1S/C22H23N7O/c23-16-20-3-1-2-18(14-20)8-9-27-10-12-28(13-11-27)22(30)15-19-4-6-21(7-5-19)29-17-24-25-26-29/h1-7,14,17H,8-13,15H2
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n/an/a 470n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442620
PNG
(CHEMBL2441416)
Show SMILES FC(F)(F)c1cc(ccc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1)-n1cnnn1
Show InChI InChI=1S/C24H23F3N6O3/c25-24(26,27)21-13-19(33-15-28-29-30-33)3-2-17(21)12-22(34)32-9-7-31(8-10-32)6-5-16-1-4-20-18(11-16)14-36-23(20)35/h1-4,11,13,15H,5-10,12,14H2
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n/an/a 520n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442605
PNG
(CHEMBL2441431)
Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CC2)C(=O)Cc2ccc3C(=O)OCc3c2)cc1
Show InChI InChI=1S/C22H23N3O5/c26-21(14-17-3-6-20-18(13-17)15-30-22(20)27)24-11-9-23(10-12-24)8-7-16-1-4-19(5-2-16)25(28)29/h1-6,13H,7-12,14-15H2
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n/an/a 540n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442592
PNG
(CHEMBL2441411)
Show SMILES O=C(Cc1ccc(c(c1)C#N)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C24H23N7O3/c25-14-19-12-18(2-4-22(19)31-16-26-27-28-31)13-23(32)30-9-7-29(8-10-30)6-5-17-1-3-21-20(11-17)15-34-24(21)33/h1-4,11-12,16H,5-10,13,15H2
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n/an/a 550n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442594
PNG
(CHEMBL2441409)
Show SMILES Fc1cc(CC(=O)N2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1-n1cnnn1
Show InChI InChI=1S/C23H23FN6O3/c24-20-12-17(2-4-21(20)30-15-25-26-27-30)13-22(31)29-9-7-28(8-10-29)6-5-16-1-3-19-18(11-16)14-33-23(19)32/h1-4,11-12,15H,5-10,13-14H2
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n/an/a 610n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442610
PNG
(CHEMBL2441428)
Show SMILES Clc1cc(CCN2CCN(CC2)C(=O)Cc2ccc(cc2)-n2cnnn2)cc2COC(=O)c12
Show InChI InChI=1S/C23H23ClN6O3/c24-20-12-17(11-18-14-33-23(32)22(18)20)5-6-28-7-9-29(10-8-28)21(31)13-16-1-3-19(4-2-16)30-15-25-26-27-30/h1-4,11-12,15H,5-10,13-14H2
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n/an/a 830n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442603
PNG
(CHEMBL2441434)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C22H23N7O/c23-16-20-3-1-18(2-4-20)9-10-27-11-13-28(14-12-27)22(30)15-19-5-7-21(8-6-19)29-17-24-25-26-29/h1-8,17H,9-15H2
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n/an/a 920n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442612
PNG
(CHEMBL2441426)
Show SMILES Cc1cc(CCN2CCN(CC2)C(=O)Cc2ccc(cc2)-n2cnnn2)cc2COC(=O)c12
Show InChI InChI=1S/C24H26N6O3/c1-17-12-19(13-20-15-33-24(32)23(17)20)6-7-28-8-10-29(11-9-28)22(31)14-18-2-4-21(5-3-18)30-16-25-26-27-30/h2-5,12-13,16H,6-11,14-15H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442596
PNG
(CHEMBL2441441)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)CCc3c2)CC1
Show InChI InChI=1S/C24H26N6O2/c31-23-8-4-20-15-19(3-7-22(20)23)9-10-28-11-13-29(14-12-28)24(32)16-18-1-5-21(6-2-18)30-17-25-26-27-30/h1-3,5-7,15,17H,4,8-14,16H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442597
PNG
(CHEMBL2441440)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3COCc3c2)CC1
Show InChI InChI=1S/C23H26N6O2/c30-23(14-18-2-5-22(6-3-18)29-17-24-25-26-29)28-11-9-27(10-12-28)8-7-19-1-4-20-15-31-16-21(20)13-19/h1-6,13,17H,7-12,14-16H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442616
PNG
(CHEMBL2441422)
Show SMILES COc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H26N6O4/c1-33-23-18(4-7-20-21(23)15-34-24(20)32)8-9-28-10-12-29(13-11-28)22(31)14-17-2-5-19(6-3-17)30-16-25-26-27-30/h2-7,16H,8-15H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442613
PNG
(CHEMBL2441425)
Show SMILES COc1cc2C(=O)OCc2cc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H26N6O4/c1-33-22-14-21-19(15-34-24(21)32)13-18(22)6-7-28-8-10-29(11-9-28)23(31)12-17-2-4-20(5-3-17)30-16-25-26-27-30/h2-5,13-14,16H,6-12,15H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442606
PNG
(CHEMBL2441430)
Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CC2)C(=O)Cc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H22N4O5/c25-20(15-17-3-7-19(8-4-17)24(28)29)22-13-11-21(12-14-22)10-9-16-1-5-18(6-2-16)23(26)27/h1-8H,9-15H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442607
PNG
(CHEMBL2441429)
Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)-n3cnnn3)CC2)cc1
Show InChI InChI=1S/C21H25N7O2/c29-28(30)21-7-3-19(4-8-21)10-12-26-15-13-25(14-16-26)11-9-18-1-5-20(6-2-18)27-17-22-23-24-27/h1-8,17H,9-16H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442591
PNG
(CHEMBL2441412)
Show SMILES FC(F)(F)c1cc(CC(=O)N2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1-n1cnnn1
Show InChI InChI=1S/C24H23F3N6O3/c25-24(26,27)20-12-17(2-4-21(20)33-15-28-29-30-33)13-22(34)32-9-7-31(8-10-32)6-5-16-1-3-19-18(11-16)14-36-23(19)35/h1-4,11-12,15H,5-10,13-14H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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))
BDBM50442599
PNG
(CHEMBL2441438)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3COC(=O)c3c2)CC1
Show InChI InChI=1S/C23H24N6O3/c30-22(14-17-2-5-20(6-3-17)29-16-24-25-26-29)28-11-9-27(10-12-28)8-7-18-1-4-19-15-32-23(31)21(19)13-18/h1-6,13,16H,7-12,14-15H2
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n/an/a 7.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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
Inward rectifier potassium channel 13


(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>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kir7.1 channel (unknown origin)


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 10


(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>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kir4.1 channel (unknown origin)


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))
BDBM50442598
PNG
(CHEMBL2441439)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)NCc3c2)CC1
Show InChI InChI=1S/C23H25N7O2/c31-22(14-17-1-4-20(5-2-17)30-16-25-26-27-30)29-11-9-28(10-12-29)8-7-18-3-6-21-19(13-18)15-24-23(21)32/h1-6,13,16H,7-12,14-15H2,(H,24,32)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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
Inward rectifier potassium channel 4


(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>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kir2.3 channel (unknown origin)


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
Inward rectifier potassium channel 2


(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
PDB
MMDB

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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kir2.1 channel (unknown origin)


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))
BDBM50442623
PNG
(CHEMBL2441413)
Show SMILES CCc1cc(CC(=O)N2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1-n1cnnn1
Show InChI InChI=1S/C25H28N6O3/c1-2-20-14-19(4-6-23(20)31-17-26-27-28-31)15-24(32)30-11-9-29(10-12-30)8-7-18-3-5-22-21(13-18)16-34-25(22)33/h3-6,13-14,17H,2,7-12,15-16H2,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis


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