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Compile Data Set for Download or QSAR

Found 378 hits Enz. Inhib. hit(s) with Target = 'Potassium Channel' AND taxid = 10116   
Target
(Institution)
LigandTarget
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 channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens-HUMAN)
BDBM50062397
PNG
(3N-cyanoimino(tert-pentylamino)methyl-3-pyridinami...)
Show SMILES CCC(C)(C)NC(NC#N)=Nc1cccnc1
Show InChI InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)
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27n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


Citation and Details
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens-HUMAN)
BDBM50062402
PNG
(1N-cyanoimino(tert-pentylamino)methyl-3-azido-4-io...)
Show SMILES CCC(C)(C)NC(Nc1ccc(I)c(c1)N=[N+]=[N-])=NC#N
Show InChI InChI=1S/C13H16IN7/c1-4-13(2,3)19-12(17-8-15)18-9-5-6-10(14)11(7-9)20-21-16/h5-7H,4H2,1-3H3,(H2,17,18,19)
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57n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


Citation and Details
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens-HUMAN)
BDBM50062394
PNG
(1N-cyanoimino(tert-pentylamino)methyl-4-iodoanilin...)
Show SMILES CCC(C)(C)NC(Nc1ccc(I)cc1)=NC#N
Show InChI InChI=1S/C13H17IN4/c1-4-13(2,3)18-12(16-9-15)17-11-7-5-10(14)6-8-11/h5-8H,4H2,1-3H3,(H2,16,17,18)
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74n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


Citation and Details
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens-HUMAN)
BDBM50062396
PNG
(4-cyanoimino(1,2,2-trimethylpropylamino)methylamin...)
Show SMILES CC(NC(Nc1ccc(cc1)C#N)=NC#N)C(C)(C)C
Show InChI InChI=1S/C15H19N5/c1-11(15(2,3)4)19-14(18-10-17)20-13-7-5-12(9-16)6-8-13/h5-8,11H,1-4H3,(H2,18,19,20)
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99n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


Citation and Details
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens-HUMAN)
BDBM50012957
PNG
(1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfon...)
Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
Show InChI InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)
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130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


Citation and Details
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens-HUMAN)
BDBM50062398
PNG
(4-cyanoimino(tert-pentylamino)methylaminobenzonitr...)
Show SMILES CCC(C)(C)NC(Nc1ccc(cc1)C#N)=NC#N
Show InChI InChI=1S/C14H17N5/c1-4-14(2,3)19-13(17-10-16)18-12-7-5-11(9-15)6-8-12/h5-8H,4H2,1-3H3,(H2,17,18,19)
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160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


Citation and Details
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens-HUMAN)
BDBM50240750
PNG
(()-N-Cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylprop...)
Show SMILES CC(NC(NC#N)=Nc1ccncc1)C(C)(C)C
Show InChI InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)
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320n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


Citation and Details
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens-HUMAN)
BDBM50062393
PNG
(3-cyanoimino(1,2,2-trimethylpropylamino)methylamin...)
Show SMILES CC(NC(Nc1cccc(c1)C#N)=NC#N)C(C)(C)C
Show InChI InChI=1S/C15H19N5/c1-11(15(2,3)4)19-14(18-10-17)20-13-7-5-6-12(8-13)9-16/h5-8,11H,1-4H3,(H2,18,19,20)
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350n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


Citation and Details
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens-HUMAN)
BDBM50062399
PNG
(4-[tert-butylamino(cyanoimino)methylamino]benzonit...)
Show SMILES CC(C)(C)NC(Nc1ccc(cc1)C#N)=NC#N
Show InChI InChI=1S/C13H15N5/c1-13(2,3)18-12(16-9-15)17-11-6-4-10(8-14)5-7-11/h4-7H,1-3H3,(H2,16,17,18)
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480n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


Citation and Details
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens-HUMAN)
BDBM50062400
PNG
(1N-cyanoimino(1,2,2-trimethylpropylamino)methylani...)
Show SMILES CC(NC(Nc1ccccc1)=NC#N)C(C)(C)C
Show InChI InChI=1S/C14H20N4/c1-11(14(2,3)4)17-13(16-10-15)18-12-8-6-5-7-9-12/h5-9,11H,1-4H3,(H2,16,17,18)
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680n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


Citation and Details
More data for this
Ligand-Target Pair
Potassium Channel


(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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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Potassium Channel (Ca2+ dependent)


(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




Citation and Details
More data for this
Ligand-Target Pair
Potassium channel (ATP modulatory)


(RAT)
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
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




Citation and Details
More data for this
Ligand-Target Pair
Potassium Channel (Ca2+ dependent)


(RAT)
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
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




Citation and Details
More data for this
Ligand-Target Pair
Potassium channel (ATP modulatory)


(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




Citation and Details
More data for this
Ligand-Target Pair
Potassium channel (ATP modulatory)


(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




Citation and Details
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens-HUMAN)
BDBM50044253
PNG
((3R,4R)-3-Hydroxy-2,2-dimethyl-4-(2-oxo-pyrrolidin...)
Show SMILES CC1(C)Oc2ccc(cc2[C@@H]([C@H]1O)N1CCCC1=O)C#N
Show InChI InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


Citation and Details
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens-HUMAN)
BDBM50062392
PNG
(4-isopropylamino(cyanoimino)methylaminobenzonitril...)
Show SMILES CC(C)NC(Nc1ccc(cc1)C#N)=NC#N
Show InChI InChI=1S/C12H13N5/c1-9(2)16-12(15-8-14)17-11-5-3-10(7-13)4-6-11/h3-6,9H,1-2H3,(H2,15,16,17)
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7.30E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


Citation and Details
More data for this
Ligand-Target Pair
Potassium channel (ATP modulatory)


(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)

More data for this
Ligand-Target Pair
Potassium Channel


(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)

More data for this
Ligand-Target Pair
Potassium channel (ATP modulatory)


(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




Citation and Details
More data for this
Ligand-Target Pair
Potassium Channel, Ca2+ Act., VI


(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




Citation and Details
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel


(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




Citation and Details
More data for this
Ligand-Target Pair
Potassium Channel


(RAT)
BDBM50010685
PNG
((+/-)-trans-10,11-dihydroxy-5,6,6a,7,8,12b-hexahyd...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 383-93 (1992)

More data for this
Ligand-Target Pair
Potassium Channel (Ca2+ dependent)


(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)

More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens-HUMAN)
BDBM50062391
PNG
(1N-cyanoimino(tert-pentylamino)methyl-4-hexahydro-...)
Show SMILES CCC(C)(C)NC(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)=NC#N
Show InChI InChI=1S/C18H27N5O2S/c1-4-18(2,3)22-17(20-14-19)21-15-8-10-16(11-9-15)26(24,25)23-12-6-5-7-13-23/h8-11H,4-7,12-13H2,1-3H3,(H2,20,21,22)
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


Citation and Details
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens-HUMAN)
BDBM50062401
PNG
(4-methylamino(cyanoimino)methylaminobenzonitrile |...)
Show SMILES CNC(Nc1ccc(cc1)C#N)=NC#N
Show InChI InChI=1S/C10H9N5/c1-13-10(14-7-12)15-9-4-2-8(6-11)3-5-9/h2-5H,1H3,(H2,13,14,15)
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


Citation and Details
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens-HUMAN)
BDBM50062395
PNG
(1N-cyanoimino(tert-pentylamino)methyl-3-hexahydro-...)
Show SMILES CCC(C)(C)NC(Nc1cccc(c1)S(=O)(=O)N1CCCCC1)=NC#N
Show InChI InChI=1S/C18H27N5O2S/c1-4-18(2,3)22-17(20-14-19)21-15-9-8-10-16(13-15)26(24,25)23-11-6-5-7-12-23/h8-10,13H,4-7,11-12H2,1-3H3,(H2,20,21,22)
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


Citation and Details
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens-HUMAN)
BDBM50044253
PNG
((3R,4R)-3-Hydroxy-2,2-dimethyl-4-(2-oxo-pyrrolidin...)
Show SMILES CC1(C)Oc2ccc(cc2[C@@H]([C@H]1O)N1CCCC1=O)C#N
Show InChI InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m0/s1
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7.20E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


Citation and Details
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel


(RAT)
BDBM50260153
PNG
(Apamin | CHEMBL525408 | Octadecapeptide venom)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)[C@@H](C)O
Show InChI InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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n/an/a 0.0240n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat SK Calcium channel


Citation and Details
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 1


(Homo sapiens-HUMAN)
BDBM50118351
PNG
((2-Chloro-7,7-dioxo-4,7-dihydro-1,7lambda*6*-dithi...)
Show SMILES CC1(CCC1)NC1=Nc2cc(Cl)sc2S(=O)(=O)N1
Show InChI InChI=1S/C10H12ClN3O2S2/c1-10(3-2-4-10)13-9-12-6-5-7(11)17-8(6)18(15,16)14-9/h5H,2-4H2,1H3,(H2,12,13,14)
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n/an/a 3n/an/an/an/an/an/a



Novo Nordisk Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]glibenclamide binding to HEK293 cells co-expressing human Sulfonylurea receptor SUR1 and Inward rectifier K+ channel Kir6.2 at high...


J Med Chem 45: 4171-87 (2002)

More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 1


(Homo sapiens-HUMAN)
BDBM50012957
PNG
(1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfon...)
Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
Show InChI InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)
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n/an/a 4.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human SUR1/Kir6.2 expressed in CHO cells


J Med Chem 44: 1627-53 (2001)

More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM155924
PNG
(US9018211, 5)
Show SMILES OC(CN1CCN(CC(O)c2ccc3C(=O)OCc3c2Cl)CC1)c1ccc2C(=O)OCc2c1Cl
Show InChI InChI=1/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/an/an/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)

More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM155921
PNG
(US9018211, 2A)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1/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-/s2
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n/an/a 9n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM155923
PNG
(US9018211, 2C)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@@H](O)c2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1/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/an/an/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)

More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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/an/an/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)

More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM155922
PNG
(US9018211, 2B)
Show SMILES Cc1c2COC(=O)c2ccc1[C@H](O)CN1CCN(C[C@@H](O)c2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1/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-/s2
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n/an/a 12n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM155925
PNG
(US9018211, 12)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC(O)c2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1/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/an/an/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)

More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM155926
PNG
(US9018211, 20)
Show SMILES COc1cc(ccc1C#N)C(O)CN1CCN(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1/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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n/an/a 14n/an/an/an/an/an/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)

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
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)

More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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/an/an/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)

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 20n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM155929
PNG
(US9018211, 55)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCN(CC2CCc3c2ccc(F)c3[N+]#[C-])CC1
Show InChI InChI=1/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/an/an/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)

More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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/an/an/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)

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
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 36n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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/an/an/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)

More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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-]
Show InChI InChI=1/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-/s2
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n/an/a 40n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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-]
Show InChI InChI=1/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+/s2
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n/an/a 50n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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

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


Citation and Details
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM162876
PNG
(US9056859, 217)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C2CC12)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1/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-/s2
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n/an/a 56n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
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