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Found 1726 hits Enz. Inhib. hit(s) with Target = 'ATP-sensitive inward rectifier potassium channel 1'   
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))
BDBM195013
PNG
(US9206198, 78 | US9206198, 79)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(CC(O)c3ccc4C(=O)OCc4c3Cl)CC2)C1=O
Show InChI InChI=1/C23H25ClN2O6/c1-13-17(12-32-20(13)28)26-9-6-23(22(26)30)4-7-25(8-5-23)10-18(27)15-3-2-14-16(19(15)24)11-31-21(14)29/h2-3,18,27H,4-12H2,1H3
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n/an/a 3n/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 ...


US Patent US9206198 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86FH
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM265526
PNG
(US9718808, 44)
Show SMILES CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc(cc2)-n2cnnn2)C1=O
Show InChI InChI=1/C22H26N6O3/c1-15-19(13-31-20(15)29)27-11-10-22(21(27)30)8-6-17(7-9-22)23-12-16-2-4-18(5-3-16)28-14-24-25-26-28/h2-5,14,17,23H,6-13H2,1H3/t17-,22-
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n/an/a 3.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q2DJ5HNG
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM265519
PNG
(US9718808, 41)
Show SMILES CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc(cc2)-n2ncnn2)C1=O
Show InChI InChI=1/C22H26N6O3/c1-15-19(13-31-20(15)29)27-11-10-22(21(27)30)8-6-17(7-9-22)23-12-16-2-4-18(5-3-16)28-25-14-24-26-28/h2-5,14,17,23H,6-13H2,1H3/t17-,22-
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n/an/a 3.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q2DJ5HNG
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM266980
PNG
(US9718808, 109)
Show SMILES CN(Cc1ccc(cc1)-n1ncnn1)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1
Show InChI InChI=1/C23H28N6O3/c1-16-20(14-32-21(16)30)28-12-11-23(22(28)31)9-7-18(8-10-23)27(2)13-17-3-5-19(6-4-17)29-25-15-24-26-29/h3-6,15,18H,7-14H2,1-2H3/t18-,23-
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n/an/a 3.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q2DJ5HNG
More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROM-K


(Homo sapiens (Human))
BDBM363473
PNG
((S)-9-(2-(6-(1H-tetrazol-1- yl)pyridin-3-yl)-2-hyd...)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(C[C@@H](O)c3ccc(nc3)-n3cnnn3)CC2)C1=O
Show InChI InChI=1/C21H25N7O5/c1-14-16(12-32-19(14)30)27-8-9-33-21(20(27)31)4-6-26(7-5-21)11-17(29)15-2-3-18(22-10-15)28-13-23-24-25-28/h2-3,10,13,17,29H,4-9,11-12H2,1H3/t17-/s2
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n/an/a 3.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9850245 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM194963
PNG
(US9206198, 18)
Show SMILES CO[C@@H](CN1CC2CCC(C1)CC1(CCN(C3=CC(=O)OC3)C1=O)C2)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1/C28H34N2O6/c1-17-21(5-6-22-23(17)16-36-26(22)32)24(34-2)14-29-12-18-3-4-19(13-29)11-28(10-18)7-8-30(27(28)33)20-9-25(31)35-15-20/h5-6,9,18-19,24H,3-4,7-8,10-16H2,1-2H3/t18?,19?,24-,28?/s2
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n/an/a 4n/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 ...


US Patent US9206198 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86FH
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50249205
PNG
(CHEMBL4062753)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccns2)CC1
Show InChI InChI=1/C22H25N3O4S/c1-14-15(2-3-16-17(14)13-29-20(16)27)18(26)12-24-9-5-22(6-10-24)7-11-25(21(22)28)19-4-8-23-30-19/h2-4,8,18,26H,5-7,9-13H2,1H3/t18-/s2
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n/an/a 4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method


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

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM194951
PNG
(US9206198, 5)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C3=CC(=O)OC3)C2=O)CC1
Show InChI InChI=1/C23H26N2O6/c1-14-16(2-3-17-18(14)13-31-21(17)28)19(26)11-24-7-4-23(5-8-24)6-9-25(22(23)29)15-10-20(27)30-12-15/h2-3,10,19,26H,4-9,11-13H2,1H3/t19-/s2
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n/an/a 4n/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 ...


US Patent US9206198 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86FH
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM194967
PNG
(US9206198, 22)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)C2=C(F)C(=O)OC2)CC1
Show InChI InChI=1/C23H25FN2O6/c1-13-14(2-3-15-16(13)11-31-20(15)28)18(27)10-25-7-4-23(5-8-25)6-9-26(22(23)30)17-12-32-21(29)19(17)24/h2-3,18,27H,4-12H2,1H3/t18-/s2
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n/an/a 4n/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 ...


US Patent US9206198 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86FH
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM265547
PNG
(US9718808, 51)
Show SMILES CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc-3c(CCc4nnnn-34)c2)C1=O
Show InChI InChI=1/C24H28N6O3/c1-15-20(14-33-22(15)31)29-11-10-24(23(29)32)8-6-18(7-9-24)25-13-16-2-4-19-17(12-16)3-5-21-26-27-28-30(19)21/h2,4,12,18,25H,3,5-11,13-14H2,1H3/t18-,24-
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n/an/a 4.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q2DJ5HNG
More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROMK


(Homo sapiens (Human))
BDBM338554
PNG
(US9751881, Example 83)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2cnc(cn2)C#N)CC1
Show InChI InChI=1/C24H27N5O3/c1-16-18(2-3-19-20(16)14-32-23(19)31)21(30)13-28-7-4-24(5-8-28)6-9-29(15-24)22-12-26-17(10-25)11-27-22/h2-3,11-12,21,30H,4-9,13-15H2,1H3/t21-/s2
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n/an/a 4.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROM-K


(Homo sapiens (Human))
BDBM363475
PNG
(9-(2-(4-(1H-tetrazol-1- yl)phenyl)-2-hydroxyethyl)...)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CC(O)c3ccc(cc3)-n3cnnn3)CC2)C1=O
Show InChI InChI=1/C22H26N6O5/c1-15-18(13-32-20(15)30)27-10-11-33-22(21(27)31)6-8-26(9-7-22)12-19(29)16-2-4-17(5-3-16)28-14-23-24-25-28/h2-5,14,19,29H,6-13H2,1H3
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n/an/a 4.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9850245 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50249244
PNG
(CHEMBL4103004)
Show SMILES COc1nccc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O
Show InChI InChI=1/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-21(17)30)19(29)13-27-10-6-24(7-11-27)8-12-28(22(24)31)20-5-9-25-23(26-20)32-2/h3-5,9,19,29H,6-8,10-14H2,1-2H3/t19-/s2
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n/an/a 5n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method


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

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM265571
PNG
(US9718808, 59)
Show SMILES CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc-3c(Cn4nnnc-34)c2F)C1=O
Show InChI InChI=1/C23H25FN6O3/c1-13-18(12-33-21(13)31)29-9-8-23(22(29)32)6-4-15(5-7-23)25-10-14-2-3-16-17(19(14)24)11-30-20(16)26-27-28-30/h2-3,15,25H,4-12H2,1H3/t15-,23-
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n/an/a 6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q2DJ5HNG
More data for this
Ligand-Target Pair
Egl nine homolog 1


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



WuXi AppTec (Shanghai) Co. Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q26T0PSB
More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROM-K


(Homo sapiens (Human))
BDBM363474
PNG
((R)-9-(2-hydroxy-2-(4-methyl-1- oxo-1,3-dihydroiso...)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O
Show InChI InChI=1/C24H28N2O7/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-7-5-24(6-8-25)23(30)26(9-10-33-24)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/s2
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n/an/a 6.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9850245 (2017)

More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROM-K


(Homo sapiens (Human))
BDBM363472
PNG
(US9850245, Example 6A)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(C[C@@H](F)c3ccc(nc3)-n3cnnn3)CC2)C1=O
Show InChI InChI=1/C21H24FN7O4/c1-14-17(12-32-19(14)30)28-8-9-33-21(20(28)31)4-6-27(7-5-21)11-16(22)15-2-3-18(23-10-15)29-13-24-25-26-29/h2-3,10,13,16H,4-9,11-12H2,1H3/t16-/s2
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n/an/a 6.60n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9850245 (2017)

More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROMK


(Homo sapiens (Human))
BDBM338561
PNG
(US9751881, Example 90)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ncc(s2)C#N)CC1
Show InChI InChI=1/C23H26N4O3S/c1-15-17(2-3-18-19(15)13-30-21(18)29)20(28)12-26-7-4-23(5-8-26)6-9-27(14-23)22-25-11-16(10-24)31-22/h2-3,11,20,28H,4-9,12-14H2,1H3/t20-/s2
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n/an/a 6.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM265592
PNG
(US9718808, 66)
Show SMILES C[C@H]1C[C@@]2(CC[C@@H](CC2)NCc2cnc(cn2)-n2cnnn2)C(=O)N1C1=CC(=O)OC1
Show InChI InChI=1/C20H24N8O3/c1-13-7-20(19(30)28(13)16-6-18(29)31-11-16)4-2-14(3-5-20)21-8-15-9-23-17(10-22-15)27-12-24-25-26-27/h6,9-10,12-14,21H,2-5,7-8,11H2,1H3/t13-,14-,20-/s2
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n/an/a 7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q2DJ5HNG
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50175026
PNG
(CHEMBL3808666)
Show SMILES C[C@@H]1CC2(CCN(C[C@@H](O)c3ccc4Cn5nnnc5-c4c3)CC2)C(=O)N1C1=CC(=O)OC1
Show InChI InChI=1/C23H26N6O4/c1-14-10-23(22(32)29(14)17-9-20(31)33-13-17)4-6-27(7-5-23)12-19(30)15-2-3-16-11-28-21(18(16)8-15)24-25-26-28/h2-3,8-9,14,19,30H,4-7,10-13H2,1H3/t14-,19-/s2
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n/an/a 7n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Kir1.1 expressed in HEK293 cells after 30 mins by thallium flux assay


ACS Med Chem Lett 7: 447-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00131
BindingDB Entry DOI: 10.7270/Q2WS8W5N
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350299
PNG
(US10208064, Example 18)
Show SMILES C[C@@H]1CC2(CCN(C[C@@H](O)c3ccc4c(ccc5nnnn45)c3)CC2)C(=O)N1C1=CC(=O)OC1
Show InChI InChI=1/C24H26N6O4/c1-15-12-24(23(33)29(15)18-11-22(32)34-14-18)6-8-28(9-7-24)13-20(31)17-2-4-19-16(10-17)3-5-21-25-26-27-30(19)21/h2-5,10-11,15,20,31H,6-9,12-14H2,1H3/t15-,20-/s2
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n/an/a 7n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q26T0PSB
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/a7.4n/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9018211 (2015)


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


(Homo sapiens (Human))
BDBM265664
PNG
(US9718808, 88)
Show SMILES CN(Cc1ccc(cn1)-n1cnnn1)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1
Show InChI InChI=1/C22H27N7O3/c1-15-19(13-32-20(15)30)28-10-9-22(21(28)31)7-5-17(6-8-22)27(2)12-16-3-4-18(11-23-16)29-14-24-25-26-29/h3-4,11,14,17H,5-10,12-13H2,1-2H3/t17-,22-
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n/an/a 7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q2DJ5HNG
More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROM-K


(Homo sapiens (Human))
BDBM363493
PNG
(Typical Example for Hydroamination | US9850245, Ex...)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CCc3ccc(nn3)-n3cnnn3)CC2)C1=O
Show InChI InChI=1S/C20H24N8O4/c1-14-16(12-31-18(14)29)27-10-11-32-20(19(27)30)5-8-26(9-6-20)7-4-15-2-3-17(23-22-15)28-13-21-24-25-28/h2-3,13H,4-12H2,1H3
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n/an/a 7.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9850245 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM265538
PNG
(US9718808, 48)
Show SMILES CC1=C(COC1=O)N1CC[C@]2(CC[C@](C)(CC2)NCc2ccc(nn2)-n2cnnn2)C1=O
Show InChI InChI=1/C21H26N8O3/c1-14-16(12-32-18(14)30)28-10-9-21(19(28)31)7-5-20(2,6-8-21)22-11-15-3-4-17(25-24-15)29-13-23-26-27-29/h3-4,13,22H,5-12H2,1-2H3/t20-,21-
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n/an/a 7.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q2DJ5HNG
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50249205
PNG
(CHEMBL4062753)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccns2)CC1
Show InChI InChI=1/C22H25N3O4S/c1-14-15(2-3-16-17(14)13-29-20(16)27)18(26)12-24-9-5-22(6-10-24)7-11-25(21(22)28)19-4-8-23-30-19/h2-4,8,18,26H,5-7,9-13H2,1H3/t18-/s2
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n/an/a 8n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50249227
PNG
(CHEMBL4095422)
Show SMILES Cc1nsc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O
Show InChI InChI=1/C22H26N4O4S/c1-13-15(3-4-16-17(13)12-30-19(16)28)18(27)11-25-8-5-22(6-9-25)7-10-26(20(22)29)21-23-14(2)24-31-21/h3-4,18,27H,5-12H2,1-2H3/t18-/s2
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n/an/a 8n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method


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

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM265155
PNG
(US9718808, 12)
Show SMILES Fc1c2Cn3nnnc3-c2ccc1C=O
Show InChI InChI=1S/C9H5FN4O/c10-8-5(4-15)1-2-6-7(8)3-14-9(6)11-12-13-14/h1-2,4H,3H2
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n/an/a 8.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q2DJ5HNG
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM265503
PNG
(US9718808, 35)
Show SMILES C[C@H]1C[C@]2(CC[C@@H](CC2)NCc2ccc(nn2)-n2cnnn2)C(=O)N1C1=CC(=O)OC1
Show InChI InChI=1/C20H24N8O3/c1-13-9-20(19(30)28(13)16-8-18(29)31-11-16)6-4-14(5-7-20)21-10-15-2-3-17(24-23-15)27-12-22-25-26-27/h2-3,8,12-14,21H,4-7,9-11H2,1H3/t13-,14-,20+/s2
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n/an/a 8.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q2DJ5HNG
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM265500
PNG
(US9718808, 34)
Show SMILES CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2cc(C)c(nn2)-n2cnnn2)C1=O
Show InChI InChI=1/C21H26N8O3/c1-13-9-16(24-25-18(13)29-12-23-26-27-29)10-22-15-3-5-21(6-4-15)7-8-28(20(21)31)17-11-32-19(30)14(17)2/h9,12,15,22H,3-8,10-11H2,1-2H3/t15-,21-
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n/an/a 8.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q2DJ5HNG
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM265670
PNG
(US9718808, 106 | US9718808, 90)
Show SMILES CN(Cc1ccc-2c(Cn3nnnc-23)c1)[C@H]1CC[C@@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1
Show InChI InChI=1/C24H28N6O3/c1-15-20(14-33-22(15)31)29-10-9-24(23(29)32)7-5-18(6-8-24)28(2)12-16-3-4-19-17(11-16)13-30-21(19)25-26-27-30/h3-4,11,18H,5-10,12-14H2,1-2H3/t18-,24-
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n/an/a 8.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q2DJ5HNG
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350282
PNG
(US10208064, Example 2)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@@H](O)c3ccc-4c(Cn5nnnc-45)c3Cl)CC2)C1=O
Show InChI InChI=1/C23H25ClN6O4/c1-13-17(12-34-21(13)32)29-9-6-23(22(29)33)4-7-28(8-5-23)11-18(31)15-3-2-14-16(19(15)24)10-30-20(14)25-26-27-30/h2-3,18,31H,4-12H2,1H3/t18-/s2
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n/an/a 9n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q26T0PSB
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/a7.4n/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9018211 (2015)


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


(Homo sapiens (Human))
BDBM50175033
PNG
(CHEMBL3808614)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@@H](O)c3cc-4c(Cn5nnnc-45)cc3Cl)CC2)C1=O
Show InChI InChI=1/C23H25ClN6O4/c1-13-18(12-34-21(13)32)29-7-4-23(22(29)33)2-5-28(6-3-23)11-19(31)16-9-15-14(8-17(16)24)10-30-20(15)25-26-27-30/h8-9,19,31H,2-7,10-12H2,1H3/t19-/s2
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n/an/a 9n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Kir1.1 expressed in HEK293 cells after 30 mins by thallium flux assay


ACS Med Chem Lett 7: 447-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00131
BindingDB Entry DOI: 10.7270/Q2WS8W5N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50121348
PNG
(CHEMBL3622114)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)CCN(CC2)c1cnc(cn1)C#N
Show InChI InChI=1/C25H29N5O3/c1-17-19(2-3-20-21(17)16-33-24(20)32)22(31)15-29-8-4-25(5-9-29)6-10-30(11-7-25)23-14-27-18(12-26)13-28-23/h2-3,13-14,22,31H,4-11,15-16H2,1H3/t22-/s2
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n/an/a 9n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human Kir1.1 expressed in HEK293 cells by thallium flux assay


ACS Med Chem Lett 6: 831-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00227
BindingDB Entry DOI: 10.7270/Q2377BHG
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM265618
PNG
((5r,8r)-8-(((6-(2H-tetrazol-2-yl)pyridazin-3-yl)me...)
Show SMILES CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc(nn2)-n2ncnn2)C1=O
Show InChI InChI=1/C20H24N8O3/c1-13-16(11-31-18(13)29)27-9-8-20(19(27)30)6-4-14(5-7-20)21-10-15-2-3-17(25-24-15)28-23-12-22-26-28/h2-3,12,14,21H,4-11H2,1H3/t14-,20-
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n/an/a 9.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q2DJ5HNG
More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROMK


(Homo sapiens (Human))
BDBM338582
PNG
(US9751881, Example 111)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCC2(CC1)CCN(CC2)c1cnc(cn1)C#N
Show InChI InChI=1/C25H29N5O3/c1-17-19(2-3-20-21(17)16-33-24(20)32)22(31)15-29-8-4-25(5-9-29)6-10-30(11-7-25)23-14-27-18(12-26)13-28-23/h2-3,13-14,22,31H,4-11,15-16H2,1H3
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n/an/a 9.62n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM266969
PNG
(US9718808, 98)
Show SMILES CN(Cc1ccc-2c(Cn3nnnc-23)c1C)[C@H]1CC[C@@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1
Show InChI InChI=1/C25H30N6O3/c1-15-17(4-5-19-20(15)13-31-22(19)26-27-28-31)12-29(3)18-6-8-25(9-7-18)10-11-30(24(25)33)21-14-34-23(32)16(21)2/h4-5,18H,6-14H2,1-3H3/t18-,25-
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n/an/a 9.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q2DJ5HNG
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350300
PNG
(US10208064, Example 19)
Show SMILES C[C@H]1CC2(CCN(C[C@@H](O)c3ccc4c(ccc5nnnn45)c3)CC2)C(=O)N1C1=CC(=O)OC1
Show InChI InChI=1/C24H26N6O4/c1-15-12-24(23(33)29(15)18-11-22(32)34-14-18)6-8-28(9-7-24)13-20(31)17-2-4-19-16(10-17)3-5-21-25-26-27-30(19)21/h2-5,10-11,15,20,31H,6-9,12-14H2,1H3/t15-,20+/s2
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n/an/a 10n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q26T0PSB
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM194970
PNG
(US9206198, 25)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)C2=C(Cl)C(=O)OC2)CC1
Show InChI InChI=1/C23H25ClN2O6/c1-13-14(2-3-15-16(13)11-31-20(15)28)18(27)10-25-7-4-23(5-8-25)6-9-26(22(23)30)17-12-32-21(29)19(17)24/h2-3,18,27H,4-12H2,1H3/t18-/s2
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n/an/a 10n/an/an/an/an/a37



Merck Sharp & Dohme Corp

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D...


US Patent US9206198 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86FH
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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US Patent
n/an/a 10n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9018211 (2015)


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


(Homo sapiens (Human))
BDBM50121344
PNG
(CHEMBL3622105 | US9751881, Example 3)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)C#N)CC1
Show InChI InChI=1/C25H28N4O3/c1-17-19(3-4-20-21(17)15-32-24(20)31)22(30)14-28-9-6-25(7-10-28)8-11-29(16-25)23-5-2-18(12-26)13-27-23/h2-5,13,22,30H,6-11,14-16H2,1H3/t22-/s2
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n/an/a 10n/an/an/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50121345
PNG
(CHEMBL3622104 | US9751881, Example 1)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(cn2)C#N)CC1
Show InChI InChI=1/C25H26N4O4/c1-16-18(3-4-19-20(16)14-33-24(19)32)21(30)13-28-8-6-25(7-9-28)10-23(31)29(15-25)22-5-2-17(11-26)12-27-22/h2-5,12,21,30H,6-10,13-15H2,1H3/t21-/s2
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n/an/a 10n/an/an/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50235201
PNG
(CHEMBL4066423)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2cncc(c2)C#N)CC1
Show InChI InChI=1/C25H28N4O3/c1-17-20(2-3-21-22(17)15-32-24(21)31)23(30)14-28-7-4-25(5-8-28)6-9-29(16-25)19-10-18(11-26)12-27-13-19/h2-3,10,12-13,23,30H,4-9,14-16H2,1H3/t23-/s2
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n/an/a 10n/an/an/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50235202
PNG
(CHEMBL4079335)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2cncc(c2)C#N)CC1
Show InChI InChI=1/C25H26N4O4/c1-16-19(2-3-20-21(16)14-33-24(20)32)22(30)13-28-6-4-25(5-7-28)9-23(31)29(15-25)18-8-17(10-26)11-27-12-18/h2-3,8,11-12,22,30H,4-7,9,13-15H2,1H3/t22-/s2
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n/an/a 10n/an/an/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50121344
PNG
(CHEMBL3622105 | US9751881, Example 3)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)C#N)CC1
Show InChI InChI=1/C25H28N4O3/c1-17-19(3-4-20-21(17)15-32-24(20)31)22(30)14-28-9-6-25(7-10-28)8-11-29(16-25)23-5-2-18(12-26)13-27-23/h2-5,13,22,30H,6-11,14-16H2,1H3/t22-/s2
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US Patent
n/an/a 10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM265062
PNG
(US9718808, 1)
Show SMILES CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc(nn2)-n2cnnn2)C1=O
Show InChI InChI=1/C20H24N8O3/c1-13-16(11-31-18(13)29)27-9-8-20(19(27)30)6-4-14(5-7-20)21-10-15-2-3-17(24-23-15)28-12-22-25-26-28/h2-3,12,14,21H,4-11H2,1H3/t14-,20-
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US Patent
n/an/a 10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q2DJ5HNG
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50121344
PNG
(CHEMBL3622105 | US9751881, Example 3)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)C#N)CC1
Show InChI InChI=1/C25H28N4O3/c1-17-19(3-4-20-21(17)15-32-24(20)31)22(30)14-28-9-6-25(7-10-28)8-11-29(16-25)23-5-2-18(12-26)13-27-23/h2-5,13,22,30H,6-11,14-16H2,1H3/t22-/s2
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n/an/a 10n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human Kir1.1 expressed in HEK293 cells by thallium flux assay


ACS Med Chem Lett 6: 831-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00227
BindingDB Entry DOI: 10.7270/Q2377BHG
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50121355
PNG
(CHEMBL3622112 | US9751881, Example 81)
Show SMILES Cc1cc(cnc1C#N)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2
Show InChI InChI=1/C26H30N4O3/c1-17-11-19(13-28-23(17)12-27)30-10-7-26(16-30)5-8-29(9-6-26)14-24(31)20-3-4-21-22(18(20)2)15-33-25(21)32/h3-4,11,13,24,31H,5-10,14-16H2,1-2H3/t24-/s2
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n/an/a 10n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human Kir1.1 expressed in HEK293 cells by thallium flux assay


ACS Med Chem Lett 6: 831-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00227
BindingDB Entry DOI: 10.7270/Q2377BHG
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM195030
PNG
(US9206198, 53A)
Show SMILES C[C@@H]([C@H](O)c1ccc2C(=O)OCc2c1C)N1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1
Show InChI InChI=1/C25H30N2O6/c1-14-17(4-5-18-19(14)12-32-23(18)30)21(28)16(3)26-9-6-25(7-10-26)8-11-27(24(25)31)20-13-33-22(29)15(20)2/h4-5,16,21,28H,6-13H2,1-3H3/t16-,21-/s2
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US Patent
n/an/a 10n/an/an/an/an/a37



Merck Sharp & Dohme Corp

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D...


US Patent US9206198 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86FH
More data for this
Ligand-Target Pair
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