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Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'belyk' and Initial = 'km'   
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))
BDBM50021345
PNG
(CHEMBL3287928)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H16ClFN2O2S2/c1-30(27,28)20-12-2-15(3-13-20)22-21(29-19-10-4-16(23)5-11-19)14-26(25-22)18-8-6-17(24)7-9-18/h2-14H,1H3
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637n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021331
PNG
(CHEMBL3287930)
Show SMILES CC(C)(O)c1cnc(cn1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18ClFN4OS/c1-22(2,29)20-12-25-18(11-26-20)21-19(30-17-9-3-14(23)4-10-17)13-28(27-21)16-7-5-15(24)6-8-16/h3-13,29H,1-2H3
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740n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50350538
PNG
(CHEMBL1812717)
Show SMILES CC(C)(O)c1ccc(cn1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H17ClFN3O2S/c1-22(2,28)17-9-5-14(11-25-17)19-21(30-18-10-6-15(23)12-26-18)29-20(27-19)13-3-7-16(24)8-4-13/h3-12,28H,1-2H3
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1.25E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021346
PNG
(CHEMBL3287926)
Show SMILES Clc1ccc(Sc2c[nH]nc2-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C17H13ClN2O2S/c18-12-2-4-13(5-3-12)23-16-10-19-20-17(16)11-1-6-14-15(9-11)22-8-7-21-14/h1-6,9-10H,7-8H2,(H,19,20)
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1.54E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021329
PNG
(CHEMBL3287932)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H14ClFN2O3S2/c1-30(26,27)17-9-4-13(5-10-17)19-21(29-18-11-6-15(22)12-24-18)28-20(25-19)14-2-7-16(23)8-3-14/h2-12H,1H3
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2.50E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021344
PNG
(CHEMBL3287929)
Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc(cc2)-c2ncon2)-c2cccnc2)cc1
Show InChI InChI=1S/C22H14ClN5OS/c23-17-7-9-19(10-8-17)30-20-13-28(18-2-1-11-24-12-18)26-21(20)15-3-5-16(6-4-15)22-25-14-29-27-22/h1-14H
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5.21E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021334
PNG
(CHEMBL3287931)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C22H16ClNO3S2/c1-29(25,26)19-13-7-15(8-14-19)20-22(28-18-11-9-17(23)10-12-18)27-21(24-20)16-5-3-2-4-6-16/h2-14H,1H3
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2.85E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021330
PNG
(CHEMBL3287927)
Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc3OCCOc3c2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H17ClN2O2S/c24-17-7-9-19(10-8-17)29-22-15-26(18-4-2-1-3-5-18)25-23(22)16-6-11-20-21(14-16)28-13-12-27-20/h1-11,14-15H,12-13H2
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>3.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50021344
PNG
(CHEMBL3287929)
Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc(cc2)-c2ncon2)-c2cccnc2)cc1
Show InChI InChI=1S/C22H14ClN5OS/c23-17-7-9-19(10-8-17)30-20-13-28(18-2-1-11-24-12-18)26-21(20)15-3-5-16(6-4-15)22-25-14-29-27-22/h1-14H
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n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50021334
PNG
(CHEMBL3287931)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C22H16ClNO3S2/c1-29(25,26)19-13-7-15(8-14-19)20-22(28-18-11-9-17(23)10-12-18)27-21(24-20)16-5-3-2-4-6-16/h2-14H,1H3
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50021345
PNG
(CHEMBL3287928)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H16ClFN2O2S2/c1-30(27,28)20-12-2-15(3-13-20)22-21(29-19-10-4-16(23)5-11-19)14-26(25-22)18-8-6-17(24)7-9-18/h2-14H,1H3
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50021330
PNG
(CHEMBL3287927)
Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc3OCCOc3c2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H17ClN2O2S/c24-17-7-9-19(10-8-17)29-22-15-26(18-4-2-1-3-5-18)25-23(22)16-6-11-20-21(14-16)28-13-12-27-20/h1-11,14-15H,12-13H2
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50021331
PNG
(CHEMBL3287930)
Show SMILES CC(C)(O)c1cnc(cn1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18ClFN4OS/c1-22(2,29)20-12-25-18(11-26-20)21-19(30-17-9-3-14(23)4-10-17)13-28(27-21)16-7-5-15(24)6-8-16/h3-13,29H,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50350538
PNG
(CHEMBL1812717)
Show SMILES CC(C)(O)c1ccc(cn1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H17ClFN3O2S/c1-22(2,28)17-9-5-14(11-25-17)19-21(30-18-10-6-15(23)12-26-18)29-20(27-19)13-3-7-16(24)8-4-13/h3-12,28H,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50350538
PNG
(CHEMBL1812717)
Show SMILES CC(C)(O)c1ccc(cn1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H17ClFN3O2S/c1-22(2,28)17-9-5-14(11-25-17)19-21(30-18-10-6-15(23)12-26-18)29-20(27-19)13-3-7-16(24)8-4-13/h3-12,28H,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50021334
PNG
(CHEMBL3287931)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C22H16ClNO3S2/c1-29(25,26)19-13-7-15(8-14-19)20-22(28-18-11-9-17(23)10-12-18)27-21(24-20)16-5-3-2-4-6-16/h2-14H,1H3
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50021344
PNG
(CHEMBL3287929)
Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc(cc2)-c2ncon2)-c2cccnc2)cc1
Show InChI InChI=1S/C22H14ClN5OS/c23-17-7-9-19(10-8-17)30-20-13-28(18-2-1-11-24-12-18)26-21(20)15-3-5-16(6-4-15)22-25-14-29-27-22/h1-14H
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181758
PNG
(US9139585, 34B)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@@H](O)c2ccc(nc2)-n2cnnn2)CC1 |r|
Show InChI InChI=1/C23H27N7O4/c1-15-17(3-4-18-19(15)13-34-23(18)33)21(32)12-29-8-6-28(7-9-29)11-20(31)16-2-5-22(24-10-16)30-14-25-26-27-30/h2-5,10,14,20-21,31-32H,6-9,11-13H2,1H3/t20-,21+/s2
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US Patent
n/an/a 14n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50021345
PNG
(CHEMBL3287928)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H16ClFN2O2S2/c1-30(27,28)20-12-2-15(3-13-20)22-21(29-19-10-4-16(23)5-11-19)14-26(25-22)18-8-6-17(24)7-9-18/h2-14H,1H3
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181748
PNG
(US9139585, 38A)
Show SMILES C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1/C27H32N2O6/c1-16-11-19-12-18(3-4-21(19)27(33)35-16)24(30)13-28-7-9-29(10-8-28)14-25(31)20-5-6-22-23(17(20)2)15-34-26(22)32/h3-6,12,16,24-25,30-31H,7-11,13-15H2,1-2H3/t16-,24+,25+/s2
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n/an/a 17.5n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181768
PNG
(US9139585, 44B)
Show SMILES COc1cc(ncc1C#N)C(O)CN1CCN(CC(O)c2ccc3C(=O)O[C@H](C)Cc3c2)CC1 |r|
Show InChI InChI=1/C25H30N4O5/c1-16-9-18-10-17(3-4-20(18)25(32)34-16)22(30)14-28-5-7-29(8-6-28)15-23(31)21-11-24(33-2)19(12-26)13-27-21/h3-4,10-11,13,16,22-23,30-31H,5-9,14-15H2,1-2H3/t16-,22?,23?/s2
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n/an/a 18n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50021329
PNG
(CHEMBL3287932)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H14ClFN2O3S2/c1-30(26,27)17-9-4-13(5-10-17)19-21(29-18-11-6-15(22)12-24-18)28-20(25-19)14-2-7-16(23)8-3-14/h2-12H,1H3
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181711
PNG
(US9139585, 6 | US9139585, 9)
Show SMILES COc1cc(ncc1C#N)C(O)CN1C2CCC1C1CCC2N1C[C@H](O)c1ccc2C(=O)OCc2c1C |r,TLB:20:21:13:15.16,19:18:13:15.16,12:13:22:20.19,THB:15:14:22:20.19,16:17:22:20.19,23:22:13:15.16|
Show InChI InChI=1/C28H32N4O5/c1-15-17(3-4-18-19(15)14-37-28(18)35)25(33)12-31-21-5-6-22(31)24-8-7-23(21)32(24)13-26(34)20-9-27(36-2)16(10-29)11-30-20/h3-4,9,11,21-26,33-34H,5-8,12-14H2,1-2H3/t21?,22?,23?,24?,25-,26?/s2
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n/an/a 21n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181737
PNG
(US9139585, 30)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CCc2ccc3C(=O)OCCc3c2)CC1 |r|
Show InChI InChI=1/C26H30N2O5/c1-17-20(4-5-22-23(17)16-33-26(22)31)24(29)15-28-11-9-27(10-12-28)8-6-18-2-3-21-19(14-18)7-13-32-25(21)30/h2-5,14,24,29H,6-13,15-16H2,1H3/t24-/s2
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n/an/a 21n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181711
PNG
(US9139585, 6 | US9139585, 9)
Show SMILES COc1cc(ncc1C#N)C(O)CN1C2CCC1C1CCC2N1C[C@H](O)c1ccc2C(=O)OCc2c1C |r,TLB:20:21:13:15.16,19:18:13:15.16,12:13:22:20.19,THB:15:14:22:20.19,16:17:22:20.19,23:22:13:15.16|
Show InChI InChI=1/C28H32N4O5/c1-15-17(3-4-18-19(15)14-37-28(18)35)25(33)12-31-21-5-6-22(31)24-8-7-23(21)32(24)13-26(34)20-9-27(36-2)16(10-29)11-30-20/h3-4,9,11,21-26,33-34H,5-8,12-14H2,1-2H3/t21?,22?,23?,24?,25-,26?/s2
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n/an/a 23n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181760
PNG
(US9139585, 36B)
Show SMILES Cc1nc(ccc1[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1 |r|
Show InChI InChI=1/C24H29N7O4/c1-15-17(3-4-19-20(15)13-35-24(19)34)21(32)11-29-7-9-30(10-8-29)12-22(33)18-5-6-23(26-16(18)2)31-14-25-27-28-31/h3-6,14,21-22,32-33H,7-13H2,1-2H3/t21-,22+/s2
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n/an/a 24n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50021330
PNG
(CHEMBL3287927)
Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc3OCCOc3c2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H17ClN2O2S/c24-17-7-9-19(10-8-17)29-22-15-26(18-4-2-1-3-5-18)25-23(22)16-6-11-20-21(14-16)28-13-12-27-20/h1-11,14-15H,12-13H2
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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 FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50021329
PNG
(CHEMBL3287932)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H14ClFN2O3S2/c1-30(26,27)17-9-4-13(5-10-17)19-21(29-18-11-6-15(22)12-24-18)28-20(25-19)14-2-7-16(23)8-3-14/h2-12H,1H3
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181745
PNG
(US9139585, 35A)
Show SMILES Cc1cc(ncc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1 |r|
Show InChI InChI=1/C24H29N7O4/c1-15-9-23(31-14-26-27-28-31)25-10-19(15)22(33)12-30-7-5-29(6-8-30)11-21(32)17-3-4-18-20(16(17)2)13-35-24(18)34/h3-4,9-10,14,21-22,32-33H,5-8,11-13H2,1-2H3/t21-,22-/s2
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n/an/a 29n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181762
PNG
(US9139585, 38B)
Show SMILES C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1/C27H32N2O6/c1-16-11-19-12-18(3-4-21(19)27(33)35-16)24(30)13-28-7-9-29(10-8-28)14-25(31)20-5-6-22-23(17(20)2)15-34-26(22)32/h3-6,12,16,24-25,30-31H,7-11,13-15H2,1-2H3/t16-,24-,25+/s2
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n/an/a 29n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181725
PNG
(US9139585, 20)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC2COCC(C1)N2CC(O)c1ccc(cn1)[N+]#[C-] |r,TLB:13:14:22:17.19.18|
Show InChI InChI=1/C25H28N4O5/c1-15-19(4-5-20-21(15)14-34-25(20)32)23(30)10-28-8-17-12-33-13-18(9-28)29(17)11-24(31)22-6-3-16(26-2)7-27-22/h3-7,17-18,23-24,30-31H,8-14H2,1H3/t17?,18?,23-,24?/s2
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n/an/a 29.5n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181723
PNG
(US9139585, 18)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC2COCC(C1)N2C[C@H](O)c1ccc2C(=O)OCc2c1C |r,TLB:13:14:22:17.19.18|
Show InChI InChI=1/C28H32N2O7/c1-15-19(3-5-21-23(15)13-36-27(21)33)25(31)9-29-7-17-11-35-12-18(8-29)30(17)10-26(32)20-4-6-22-24(16(20)2)14-37-28(22)34/h3-6,17-18,25-26,31-32H,7-14H2,1-2H3/t17?,18?,25-,26-/s2
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n/an/a 30n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181761
PNG
(US9139585, 37B)
Show SMILES C[C@H]1Cc2cc(ccc2C(=O)O1)[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1/C27H32N2O6/c1-16-11-19-12-18(3-4-21(19)27(33)35-16)24(30)13-28-7-9-29(10-8-28)14-25(31)20-5-6-22-23(17(20)2)15-34-26(22)32/h3-6,12,16,24-25,30-31H,7-11,13-15H2,1-2H3/t16-,24+,25-/s2
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n/an/a 31.5n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50021331
PNG
(CHEMBL3287930)
Show SMILES CC(C)(O)c1cnc(cn1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18ClFN4OS/c1-22(2,29)20-12-25-18(11-26-20)21-19(30-17-9-3-14(23)4-10-17)13-28(27-21)16-7-5-15(24)6-8-16/h3-13,29H,1-2H3
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181727
PNG
(US9139585, 22)
Show SMILES C[C@H]1Cc2cc(CCN3CC4COCC(C3)N4C[C@H](O)c3ccc4C(=O)OCc4c3C)ccc2C(=O)O1 |r,THB:7:8:16:11.13.12|
Show InChI InChI=1/C29H34N2O6/c1-17-9-20-10-19(3-4-24(20)29(34)37-17)7-8-30-11-21-14-35-15-22(12-30)31(21)13-27(32)23-5-6-25-26(18(23)2)16-36-28(25)33/h3-6,10,17,21-22,27,32H,7-9,11-16H2,1-2H3/t17-,21?,22?,27-/s2
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n/an/a 32n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181759
PNG
(US9139585, 35B)
Show SMILES Cc1cc(ncc1[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1 |r|
Show InChI InChI=1/C24H29N7O4/c1-15-9-23(31-14-26-27-28-31)25-10-19(15)22(33)12-30-7-5-29(6-8-30)11-21(32)17-3-4-18-20(16(17)2)13-35-24(18)34/h3-4,9-10,14,21-22,32-33H,5-8,11-13H2,1-2H3/t21-,22+/s2
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n/an/a 32.5n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181733
PNG
(US9139585, 28)
Show SMILES C[C@@H]1Cc2cc(CCN3CCN(C[C@H](O)c4ccc5C(=O)OCc5c4C)CC3)ccc2C(=O)O1 |r|
Show InChI InChI=1/C27H32N2O5/c1-17-13-20-14-19(3-4-22(20)27(32)34-17)7-8-28-9-11-29(12-10-28)15-25(30)21-5-6-23-24(18(21)2)16-33-26(23)31/h3-6,14,17,25,30H,7-13,15-16H2,1-2H3/t17-,25+/s2
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n/an/a 33n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181744
PNG
(US9139585, 34A)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc(nc2)-n2cnnn2)CC1 |r|
Show InChI InChI=1/C23H27N7O4/c1-15-17(3-4-18-19(15)13-34-23(18)33)21(32)12-29-8-6-28(7-9-29)11-20(31)16-2-5-22(24-10-16)30-14-25-26-27-30/h2-5,10,14,20-21,31-32H,6-9,11-13H2,1H3/t20-,21-/s2
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n/an/a 35n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181743
PNG
(US9139585, 33)
Show SMILES OC(CN1CCN(CCc2ccc3C(=O)OCCc3c2)CC1)c1ccc2C(=O)OCc2c1C(F)(F)F
Show InChI InChI=1/C26H27F3N2O5/c27-26(28,29)23-20(4-3-19-21(23)15-36-25(19)34)22(32)14-31-10-8-30(9-11-31)7-5-16-1-2-18-17(13-16)6-12-35-24(18)33/h1-4,13,22,32H,5-12,14-15H2
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n/an/a 38n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181707
PNG
(US9139585, 2)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)C(C)(C)C1 |r|
Show InChI InChI=1/C28H34N2O6/c1-16-18(5-7-20-22(16)13-35-26(20)33)24(31)11-29-9-10-30(28(3,4)15-29)12-25(32)19-6-8-21-23(17(19)2)14-36-27(21)34/h5-8,24-25,31-32H,9-15H2,1-4H3/t24-,25-/s2
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n/an/a 41n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181712
PNG
(US9139585, 7)
Show SMILES Cc1nc(ccc1C#N)C(O)CN1C2CCC1C1CCC2N1C[C@H](O)c1ccc2C(=O)OCc2c1C |r,TLB:19:20:12:14.15,18:17:12:14.15,11:12:21:19.18,THB:14:13:21:19.18,15:16:21:19.18,22:21:12:14.15|
Show InChI InChI=1/C28H32N4O4/c1-15-18(4-5-19-20(15)14-36-28(19)35)26(33)12-31-22-7-8-23(31)25-10-9-24(22)32(25)13-27(34)21-6-3-17(11-29)16(2)30-21/h3-6,22-27,33-34H,7-10,12-14H2,1-2H3/t22?,23?,24?,25?,26-,27?/s2
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n/an/a 45n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181726
PNG
(US9139585, 21)
Show SMILES C[C@@H]1Cc2cc(CCN3CC4COCC(C3)N4C[C@H](O)c3ccc4C(=O)OCc4c3C)ccc2C(=O)O1 |r,THB:7:8:16:11.13.12|
Show InChI InChI=1/C29H34N2O6/c1-17-9-20-10-19(3-4-24(20)29(34)37-17)7-8-30-11-21-14-35-15-22(12-30)31(21)13-27(32)23-5-6-25-26(18(23)2)16-36-28(25)33/h3-6,10,17,21-22,27,32H,7-9,11-16H2,1-2H3/t17-,21?,22?,27+/s2
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n/an/a 45n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181741
PNG
(US9139585, 32)
Show SMILES CCc1c2COC(=O)c2ccc1C(O)CN1CCN(CCc2ccc3C(=O)OCCc3c2)CC1
Show InChI InChI=1/C27H32N2O5/c1-2-20-22(5-6-23-24(20)17-34-27(23)32)25(30)16-29-12-10-28(11-13-29)9-7-18-3-4-21-19(15-18)8-14-33-26(21)31/h3-6,15,25,30H,2,7-14,16-17H2,1H3
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n/an/a 46n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181716
PNG
(US9139585, 11)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CC1)c1ccc(cn1)[N+]#[C-] |r|
Show InChI InChI=1/C21H22N4O3/c1-14-16(4-5-17-18(14)13-28-21(17)27)19(26)12-24-7-9-25(10-8-24)20-6-3-15(22-2)11-23-20/h3-6,11,19,26H,7-10,12-13H2,1H3/t19-/s2
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n/an/a 54n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181721
PNG
(US9139585, 16)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)-n1cnnn1 |r,THB:22:21:20.14.15:17.18|
Show InChI InChI=1/C24H26N6O5S/c1-15-20(8-9-21-22(15)13-35-24(21)32)23(31)12-28-10-17-2-3-18(11-28)30(17)36(33,34)19-6-4-16(5-7-19)29-14-25-26-27-29/h4-9,14,17-18,23,31H,2-3,10-13H2,1H3/t17-,18+,23-/s2
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n/an/a 54n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181746
PNG
(US9139585, 36A)
Show SMILES Cc1nc(ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1 |r|
Show InChI InChI=1/C24H29N7O4/c1-15-17(3-4-19-20(15)13-35-24(19)34)21(32)11-29-7-9-30(10-8-29)12-22(33)18-5-6-23(26-16(18)2)31-14-25-27-28-31/h3-6,14,21-22,32-33H,7-13H2,1-2H3/t21-,22-/s2
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n/an/a 55n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181756
PNG
(US9139585, 23B)
Show SMILES C[C@@H]1Cc2cc(ccc2C(=O)O1)C(O)CN1CC2COCC(C1)N2C[C@H](O)c1ccc2C(=O)OCc2c1C |r,THB:14:15:23:18.20.19|
Show InChI InChI=1/C29H34N2O7/c1-16-7-19-8-18(3-4-23(19)29(35)38-16)26(32)11-30-9-20-13-36-14-21(10-30)31(20)12-27(33)22-5-6-24-25(17(22)2)15-37-28(24)34/h3-6,8,16,20-21,26-27,32-33H,7,9-15H2,1-2H3/t16-,20?,21?,26?,27+/s2
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n/an/a 64n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181757
PNG
(US9139585, 24B)
Show SMILES C[C@H]1Cc2cc(ccc2C(=O)O1)C(O)CC1CC2COCC(C1)N2C[C@H](O)c1ccc2C(=O)OCc2c1C |r,THB:14:15:23:18.20.19|
Show InChI InChI=1/C30H35NO7/c1-16-7-20-11-19(3-4-24(20)30(35)38-16)27(32)10-18-8-21-13-36-14-22(9-18)31(21)12-28(33)23-5-6-25-26(17(23)2)15-37-29(25)34/h3-6,11,16,18,21-22,27-28,32-33H,7-10,12-15H2,1-2H3/t16-,18?,21?,22?,27?,28-/s2
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n/an/a 66n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181730
PNG
(US9139585, 25 | US9139585, 26)
Show SMILES COc1cc(ncc1[N+]#[C-])C(O)CN1C2COCC1CN(C[C@H](O)c1ccc3C(=O)OCc3c1C)C2 |r,THB:21:20:13:15.17.16|
Show InChI InChI=1/C26H30N4O6/c1-15-18(4-5-19-20(15)14-36-26(19)33)23(31)10-29-8-16-12-35-13-17(9-29)30(16)11-24(32)21-6-25(34-3)22(27-2)7-28-21/h4-7,16-17,23-24,31-32H,8-14H2,1,3H3/t16?,17?,23-,24?/s2
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n/an/a 71n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM181747
PNG
(US9139585, 37A)
Show SMILES C[C@H]1Cc2cc(ccc2C(=O)O1)[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1/C27H32N2O6/c1-16-11-19-12-18(3-4-21(19)27(33)35-16)24(30)13-28-7-9-29(10-8-28)14-25(31)20-5-6-22-23(17(20)2)15-34-26(22)32/h3-6,12,16,24-25,30-31H,7-11,13-15H2,1-2H3/t16-,24-,25-/s2
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n/an/a 71n/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair
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