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Compile Data Set for Download or QSAR

Found 244 hits of Enz. Inhib. data with enzyme = 'ATP-sensitive inward rectifier potassium channel 1' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50171290
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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1.00E+3n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 905-14 (2004)


Article DOI: 10.1124/jpet.104.067884
BindingDB Entry DOI: 10.7270/Q2RR1WTX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 284: 644-50 (1998)


Article DOI: 10.1021/acschembio.5b00817
BindingDB Entry DOI: 10.7270/Q2D50KHT
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
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=1S/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)

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


(Homo sapiens)
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=1S/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)

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


(Homo sapiens)
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=1S/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)

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


(Homo sapiens)
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=1S/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)

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


(Homo sapiens)
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=1S/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)

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


(Homo sapiens)
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=1S/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-/m0/s1
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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)

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


(Homo sapiens)
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=1S/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)

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


(Homo sapiens)
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=1S/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)

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


(Homo sapiens)
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)

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


(Homo sapiens)
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=1S/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+/m0/s1
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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)

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


(Homo sapiens)
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=1S/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)

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


(Homo sapiens)
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=1S/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)

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


(Homo sapiens)
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=1S/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)

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


(Homo sapiens)
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=1S/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)

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


(Homo sapiens)
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=1S/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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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)

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


(Homo sapiens)
BDBM266965
PNG
(US9718808, 94)
Show SMILES C[C@@H](N(C)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1)c1ccc(nc1)-n1cnnn1
Show InChI InChI=1S/C23H29N7O3/c1-15-19(13-33-21(15)31)29-11-10-23(22(29)32)8-6-18(7-9-23)28(3)16(2)17-4-5-20(24-12-17)30-14-25-26-27-30/h4-5,12,14,16,18H,6-11,13H2,1-3H3/t16-,18-,23-/m1/s1
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n/an/a 11n/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)

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


(Homo sapiens)
BDBM265559
PNG
(US9718808, 55)
Show SMILES C[C@@H]1C[C@]2(CC[C@@H](CC2)NCc2ccc-3c(Cn4nnnc-34)c2)C(=O)N1C1=C(C)C(=O)OC1
Show InChI InChI=1S/C24H28N6O3/c1-14-10-24(23(32)30(14)20-13-33-22(31)15(20)2)7-5-18(6-8-24)25-11-16-3-4-19-17(9-16)12-29-21(19)26-27-28-29/h3-4,9,14,18,25H,5-8,10-13H2,1-2H3/t14-,18-,24+/m1/s1
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n/an/a 15n/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)

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


(Homo sapiens)
BDBM265601
PNG
(US9718808, 69)
Show SMILES CC1=C(COC1=O)N1CC[C@]2(CC[C@](C)(CC2)NCc2cnc(cn2)-n2cnnn2)C1=O
Show InChI InChI=1S/C21H26N8O3/c1-14-16(12-32-18(14)30)28-8-7-21(19(28)31)5-3-20(2,4-6-21)24-10-15-9-23-17(11-22-15)29-13-25-26-27-29/h9,11,13,24H,3-8,10,12H2,1-2H3/t20-,21-
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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)

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


(Homo sapiens)
BDBM266986
PNG
(US9718808, 115)
Show SMILES CN(Cc1ccc(nn1)-n1cnnn1)[C@@]1(C)CC[C@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1
Show InChI InChI=1S/C22H28N8O3/c1-15-17(13-33-19(15)31)29-11-10-22(20(29)32)8-6-21(2,7-9-22)28(3)12-16-4-5-18(25-24-16)30-14-23-26-27-30/h4-5,14H,6-13H2,1-3H3/t21-,22+
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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)

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


(Homo sapiens)
BDBM265125
PNG
(US9718808, 5)
Show SMILES Cc1cc(nnc1C=O)-n1cnnn1
Show InChI InChI=1S/C7H6N6O/c1-5-2-7(10-9-6(5)3-14)13-4-8-11-12-13/h2-4H,1H3
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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)

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


(Homo sapiens)
BDBM266990
PNG
(US9718808, 119)
Show SMILES C[C@@H]1C[C@]2(CC[C@@H](CC2)N(C)Cc2ccc-3c(Cn4nnnc-34)c2)C(=O)N1C1=C(C)C(=O)OC1
Show InChI InChI=1S/C25H30N6O3/c1-15-11-25(24(33)31(15)21-14-34-23(32)16(21)2)8-6-19(7-9-25)29(3)12-17-4-5-20-18(10-17)13-30-22(20)26-27-28-30/h4-5,10,15,19H,6-9,11-14H2,1-3H3/t15-,19-,25+/m1/s1
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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)

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


(Homo sapiens)
BDBM265149
PNG
(US9718808, 10)
Show SMILES C[C@@H](N[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1)c1ccc(nc1)-n1cnnn1
Show InChI InChI=1S/C22H27N7O3/c1-14-18(12-32-20(14)30)28-10-9-22(21(28)31)7-5-17(6-8-22)25-15(2)16-3-4-19(23-11-16)29-13-24-26-27-29/h3-4,11,13,15,17,25H,5-10,12H2,1-2H3/t15-,17-,22-/m1/s1
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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)

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


(Homo sapiens)
BDBM265553
PNG
(US9718808, 53)
Show SMILES CC1c2cc(CN[C@H]3CC[C@@]4(CCN(C5=C(C)C(=O)OC5)C4=O)CC3)ccc2-c2nnnn12
Show InChI InChI=1S/C24H28N6O3/c1-14-20(13-33-22(14)31)29-10-9-24(23(29)32)7-5-17(6-8-24)25-12-16-3-4-18-19(11-16)15(2)30-21(18)26-27-28-30/h3-4,11,15,17,25H,5-10,12-13H2,1-2H3/t15?,17-,24-
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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)

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


(Homo sapiens)
BDBM265589
PNG
(US9718808, 65)
Show SMILES C[C@@H]1C[C@]2(CC[C@@H](CC2)NCc2ccc-3c(Cn4nnnc-34)c2)C(=O)N1C1=CC(=O)OC1
Show InChI InChI=1S/C23H26N6O3/c1-14-10-23(22(31)29(14)18-9-20(30)32-13-18)6-4-17(5-7-23)24-11-15-2-3-19-16(8-15)12-28-21(19)25-26-27-28/h2-3,8-9,14,17,24H,4-7,10-13H2,1H3/t14-,17-,23+/m1/s1
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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)

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


(Homo sapiens)
BDBM265529
PNG
(US9718808, 45)
Show SMILES CC1=C(COC1=O)N1CCC2(CCC(CC2)NCc2ccc-3c(Cn4nnnc-34)c2C)C1=O
Show InChI InChI=1S/C24H28N6O3/c1-14-16(3-4-18-19(14)12-30-21(18)26-27-28-30)11-25-17-5-7-24(8-6-17)9-10-29(23(24)32)20-13-33-22(31)15(20)2/h3-4,17,25H,5-13H2,1-2H3
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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)

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


(Homo sapiens)
BDBM265635
PNG
(US9718808, 80)
Show SMILES CN(Cc1ccc(nn1)-n1cnnn1)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1
Show InChI InChI=1S/C21H26N8O3/c1-14-17(12-32-19(14)30)28-10-9-21(20(28)31)7-5-16(6-8-21)27(2)11-15-3-4-18(24-23-15)29-13-22-25-26-29/h3-4,13,16H,5-12H2,1-2H3/t16-,21-
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Merck Sharp & Dohme Corp.

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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)

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


(Homo sapiens)
BDBM265580
PNG
(US9718808, 62)
Show SMILES C[C@H]1C[C@]2(CC[C@@H](CC2)NCc2ccc-3c(Cn4nnnc-34)c2)C(=O)N1C1=CC(=O)OC1
Show InChI InChI=1S/C23H26N6O3/c1-14-10-23(22(31)29(14)18-9-20(30)32-13-18)6-4-17(5-7-23)24-11-15-2-3-19-16(8-15)12-28-21(19)25-26-27-28/h2-3,8-9,14,17,24H,4-7,10-13H2,1H3/t14-,17-,23+/m0/s1
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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)

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


(Homo sapiens)
BDBM265485
PNG
(US9718808, 29)
Show SMILES C[C@H](N[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1)c1ccc(cn1)-n1cnnn1
Show InChI InChI=1S/C22H27N7O3/c1-14-19(12-32-20(14)30)28-10-9-22(21(28)31)7-5-16(6-8-22)25-15(2)18-4-3-17(11-23-18)29-13-24-26-27-29/h3-4,11,13,15-16,25H,5-10,12H2,1-2H3/t15-,16-,22-/m0/s1
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Merck Sharp & Dohme Corp.

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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)

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


(Homo sapiens)
BDBM266967
PNG
(US9718808, 96)
Show SMILES CN(Cc1ccc2c(ccc3nnnn23)c1)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1
Show InChI InChI=1S/C25H28N6O3/c1-16-21(15-34-23(16)32)30-12-11-25(24(30)33)9-7-19(8-10-25)29(2)14-17-3-5-20-18(13-17)4-6-22-26-27-28-31(20)22/h3-6,13,19H,7-12,14-15H2,1-2H3/t19-,25-
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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)

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


(Homo sapiens)
BDBM266978
PNG
(US9718808, 107)
Show SMILES CN(Cc1nnc(cc1C)-n1cnnn1)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1
Show InChI InChI=1S/C22H28N8O3/c1-14-10-19(30-13-23-26-27-30)25-24-17(14)11-28(3)16-4-6-22(7-5-16)8-9-29(21(22)32)18-12-33-20(31)15(18)2/h10,13,16H,4-9,11-12H2,1-3H3/t16-,22-
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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)

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


(Homo sapiens)
BDBM266996
PNG
(US9718808, 125)
Show SMILES CN(Cc1ncc(nc1C)-n1cnnn1)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1
Show InChI InChI=1S/C22H28N8O3/c1-14-18(12-33-20(14)31)29-9-8-22(21(29)32)6-4-16(5-7-22)28(3)11-17-15(2)25-19(10-23-17)30-13-24-26-27-30/h10,13,16H,4-9,11-12H2,1-3H3/t16-,22-
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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)

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


(Homo sapiens)
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=1S/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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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)

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


(Homo sapiens)
BDBM265513
PNG
(US9718808, 39)
Show SMILES C[C@@H]1C[C@@]2(CC[C@@H](CC2)NCc2ccc(nn2)-n2cnnn2)C(=O)N1C1=C(C)C(=O)OC1
Show InChI InChI=1S/C21H26N8O3/c1-13-9-21(20(31)29(13)17-11-32-19(30)14(17)2)7-5-15(6-8-21)22-10-16-3-4-18(25-24-16)28-12-23-26-27-28/h3-4,12-13,15,22H,5-11H2,1-2H3/t13-,15-,21-/m1/s1
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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)

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


(Homo sapiens)
BDBM266992
PNG
(US9718808, 121)
Show SMILES CN(Cc1ccc-2c(Cn3nnnc-23)c1F)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1
Show InChI InChI=1S/C24H27FN6O3/c1-14-19(13-34-22(14)32)30-10-9-24(23(30)33)7-5-16(6-8-24)29(2)11-15-3-4-17-18(20(15)25)12-31-21(17)26-27-28-31/h3-4,16H,5-13H2,1-2H3/t16-,24-
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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)

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


(Homo sapiens)
BDBM265583
PNG
(US9718808, 63)
Show SMILES C[C@H]1C[C@@]2(CC[C@@H](CC2)NCc2ccc-3c(Cn4nnnc-34)c2)C(=O)N1C1=CC(=O)OC1
Show InChI InChI=1S/C23H26N6O3/c1-14-10-23(22(31)29(14)18-9-20(30)32-13-18)6-4-17(5-7-23)24-11-15-2-3-19-16(8-15)12-28-21(19)25-26-27-28/h2-3,8-9,14,17,24H,4-7,10-13H2,1H3/t14-,17-,23-/m0/s1
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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)

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


(Homo sapiens)
BDBM265577
PNG
(US9718808, 61)
Show SMILES CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2cc3Cn4nnnc4-c3cc2C)C1=O
Show InChI InChI=1S/C24H28N6O3/c1-14-9-19-17(12-30-21(19)26-27-28-30)10-16(14)11-25-18-3-5-24(6-4-18)7-8-29(23(24)32)20-13-33-22(31)15(20)2/h9-10,18,25H,3-8,11-13H2,1-2H3/t18-,24-
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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)

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


(Homo sapiens)
BDBM266966
PNG
(US9718808, 95)
Show SMILES C[C@H](N(C)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1)c1ccc(nc1)-n1cnnn1
Show InChI InChI=1S/C23H29N7O3/c1-15-19(13-33-21(15)31)29-11-10-23(22(29)32)8-6-18(7-9-23)28(3)16(2)17-4-5-20(24-12-17)30-14-25-26-27-30/h4-5,12,14,16,18H,6-11,13H2,1-3H3/t16-,18-,23-/m0/s1
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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)

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


(Homo sapiens)
BDBM265134
PNG
(US9718808, 7)
Show SMILES Cc1cc(C=O)nnc1-n1cnnn1
Show InChI InChI=1S/C7H6N6O/c1-5-2-6(3-14)9-10-7(5)13-4-8-11-12-13/h2-4H,1H3
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Merck Sharp & Dohme Corp.

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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)

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


(Homo sapiens)
BDBM265604
PNG
(US9718808, 70)
Show SMILES C[C@H]1C[C@@]2(CC[C@@H](CC2)NCc2cnc(s2)-n2cnnn2)C(=O)N1C1=CC(=O)OC1
Show InChI InChI=1S/C19H23N7O3S/c1-12-7-19(17(28)26(12)14-6-16(27)29-10-14)4-2-13(3-5-19)20-8-15-9-21-18(30-15)25-11-22-23-24-25/h6,9,11-13,20H,2-5,7-8,10H2,1H3/t12-,13-,19-/m0/s1
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Merck Sharp & Dohme Corp.

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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)

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


(Homo sapiens)
BDBM266987
PNG
(US9718808, 116)
Show SMILES CN(Cc1ccc(nn1)-n1cnnn1)[C@]1(C)CC[C@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1
Show InChI InChI=1S/C22H28N8O3/c1-15-17(13-33-19(15)31)29-11-10-22(20(29)32)8-6-21(2,7-9-22)28(3)12-16-4-5-18(25-24-16)30-14-23-26-27-30/h4-5,14H,6-13H2,1-3H3/t21-,22-
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n/an/a 24n/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)

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


(Homo sapiens)
BDBM266993
PNG
(US9718808, 122)
Show SMILES CN(Cc1cc2Cn3nnnc3-c2cc1C)[C@H]1CC[C@@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1
Show InChI InChI=1S/C25H30N6O3/c1-15-10-20-18(13-31-22(20)26-27-28-31)11-17(15)12-29(3)19-4-6-25(7-5-19)8-9-30(24(25)33)21-14-34-23(32)16(21)2/h10-11,19H,4-9,12-14H2,1-3H3/t19-,25-
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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)

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


(Homo sapiens)
BDBM265452
PNG
(US9718808, 19)
Show SMILES CC1C[C@@]2(CC[C@@H](CC2)NCc2ccc(nn2)-n2cnnn2)C(=O)N1C1=CC(=O)OC1
Show InChI InChI=1S/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-
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n/an/a 28n/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)

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


(Homo sapiens)
BDBM265643
PNG
(US9718808, 83)
Show SMILES CN(Cc1ccc(nc1)-n1cnnn1)[C@H]1CC[C@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1
Show InChI InChI=1S/C22H27N7O3/c1-15-18(13-32-20(15)30)28-10-9-22(21(28)31)7-5-17(6-8-22)27(2)12-16-3-4-19(23-11-16)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 28n/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)

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


(Homo sapiens)
BDBM265679
PNG
(US9718808, 92)
Show SMILES CN(Cc1cnc(cn1)-n1cnnn1)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1
Show InChI InChI=1S/C21H26N8O3/c1-14-17(12-32-19(14)30)28-8-7-21(20(28)31)5-3-16(4-6-21)27(2)11-15-9-23-18(10-22-15)29-13-24-25-26-29/h9-10,13,16H,3-8,11-12H2,1-2H3/t16-,21-
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n/an/a 29n/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)

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


(Homo sapiens)
BDBM266997
PNG
(US9718808, 126)
Show SMILES CN(Cc1cnc(s1)-n1cnnn1)[C@H]1CC[C@@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1
Show InChI InChI=1S/C20H25N7O3S/c1-13-16(11-30-17(13)28)26-8-7-20(18(26)29)5-3-14(4-6-20)25(2)10-15-9-21-19(31-15)27-12-22-23-24-27/h9,12,14H,3-8,10-11H2,1-2H3/t14-,20-
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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)

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


(Homo sapiens)
BDBM267001
PNG
((5r,8r)-8-(((6-(1H-tetrazol-1-yl)pyridin-3-yl)meth...)
Show SMILES CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)N(CCO)Cc2ccc(nc2)-n2cnnn2)C1=O
Show InChI InChI=1S/C23H29N7O4/c1-16-19(14-34-21(16)32)29-9-8-23(22(29)33)6-4-18(5-7-23)28(10-11-31)13-17-2-3-20(24-12-17)30-15-25-26-27-30/h2-3,12,15,18,31H,4-11,13-14H2,1H3/t18-,23-
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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)

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


(Homo sapiens)
BDBM290026
PNG
(US9573961, Example 1A)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C25H26N6O4/c1-16-20(6-7-21-22(16)14-35-25(21)33)23-12-29-8-9-30(11-19(29)13-34-23)24(32)10-17-2-4-18(5-3-17)31-15-26-27-28-31/h2-7,15,19,23H,8-14H2,1H3/t19-,23-/m0/s1
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n/an/a 30n/an/an/an/a7.4n/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 US9573961 (2017)

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


(Homo sapiens)
BDBM265266
PNG
(US9718808, 14)
Show SMILES Cc1c2COC(=O)c2ccc1C=O
Show InChI InChI=1S/C10H8O3/c1-6-7(4-11)2-3-8-9(6)5-13-10(8)12/h2-4H,5H2,1H3
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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)

More data for this
Ligand-Target Pair
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