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Patent code US9540364

Compile Data Set for Download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
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
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM200994
PNG
(US9540364, example 5)
Show SMILES OC[C@H]1OC[C@@H](Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2F)C#N)[C@@H]1O
Show InChI InChI=1S/C25H19ClFN3O4/c26-18-9-21-20(29-25(30-21)34-23-12-33-22(11-31)24(23)32)8-17(18)15-4-2-14(3-5-15)16-6-1-13(10-28)7-19(16)27/h1-9,22-24,31-32H,11-12H2,(H,29,30)/t22-,23-,24-/m1/s1
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n/an/an/an/a 209n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM201005
PNG
(US9540364, example 15)
Show SMILES OC[C@H]1OC[C@@H](Oc2nc3c(F)c(c(F)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2)-c2nccc(O)n2)[C@@H]1O
Show InChI InChI=1S/C28H22F2N4O5/c29-18-11-19-25(34-28(32-19)39-21-13-38-20(12-35)26(21)37)24(30)23(18)16-5-1-14(2-6-16)15-3-7-17(8-4-15)27-31-10-9-22(36)33-27/h1-11,20-21,26,35,37H,12-13H2,(H,32,34)(H,31,33,36)/t20-,21-,26-/m1/s1
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n/an/an/an/a 3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM200999
PNG
(US9540364, example 12)
Show SMILES OC[C@H]1OC[C@@H](Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2)-c2nccs2)[C@@H]1O
Show InChI InChI=1S/C27H22ClN3O4S/c28-20-12-22-21(30-27(31-22)35-24-14-34-23(13-32)25(24)33)11-19(20)17-5-1-15(2-6-17)16-3-7-18(8-4-16)26-29-9-10-36-26/h1-12,23-25,32-33H,13-14H2,(H,30,31)/t23-,24-,25-/m1/s1
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n/an/an/an/a 76n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM201004
PNG
(US9540364, example 14)
Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(cc1)-c1c(F)cc2[nH]c(O[C@@H]3CO[C@H](CO)[C@H]3O)nc2c1F
Show InChI InChI=1S/C26H23F2N3O5/c1-29-25(34)16-8-4-14(5-9-16)13-2-6-15(7-3-13)21-17(27)10-18-23(22(21)28)31-26(30-18)36-20-12-35-19(11-32)24(20)33/h2-10,19-20,24,32-33H,11-12H2,1H3,(H,29,34)(H,30,31)/t19-,20-,24-/m1/s1
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n/an/an/an/a 4n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM201011
PNG
(US9540364, example 21)
Show SMILES OC[C@H]1OC[C@@H](Oc2nc3c(F)c(c(F)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2F)C#N)[C@@H]1O
Show InChI InChI=1S/C25H18F3N3O4/c26-16-7-12(9-29)1-6-15(16)13-2-4-14(5-3-13)21-17(27)8-18-23(22(21)28)31-25(30-18)35-20-11-34-19(10-32)24(20)33/h1-8,19-20,24,32-33H,10-11H2,(H,30,31)/t19-,20-,24-/m1/s1
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n/an/an/an/a 38n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM201007
PNG
(US9540364, example 17)
Show SMILES OC[C@H]1OC[C@@H](Oc2nc3c(F)c(c(F)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2)-n2cccn2)[C@@H]1O
Show InChI InChI=1S/C27H22F2N4O4/c28-19-12-20-25(32-27(31-20)37-22-14-36-21(13-34)26(22)35)24(29)23(19)17-4-2-15(3-5-17)16-6-8-18(9-7-16)33-11-1-10-30-33/h1-12,21-22,26,34-35H,13-14H2,(H,31,32)/t21-,22-,26-/m1/s1
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n/an/an/an/a 20n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM200997
PNG
(US9540364, example 9)
Show SMILES OC[C@H]1OC[C@@H](Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2)-n2cccn2)[C@@H]1O
Show InChI InChI=1S/C27H23ClN4O4/c28-21-13-23-22(30-27(31-23)36-25-15-35-24(14-33)26(25)34)12-20(21)18-4-2-16(3-5-18)17-6-8-19(9-7-17)32-11-1-10-29-32/h1-13,24-26,33-34H,14-15H2,(H,30,31)/t24-,25-,26-/m1/s1
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n/an/an/an/a 33n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM200998
PNG
(US9540364, example 10)
Show SMILES OC[C@H]1OC[C@@H](Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2)C2CNCCO2)[C@@H]1O
Show InChI InChI=1S/C28H28ClN3O5/c29-21-12-23-22(31-28(32-23)37-26-15-36-25(14-33)27(26)34)11-20(21)18-5-1-16(2-6-18)17-3-7-19(8-4-17)24-13-30-9-10-35-24/h1-8,11-12,24-27,30,33-34H,9-10,13-15H2,(H,31,32)/t24?,25-,26-,27-/m1/s1
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n/an/an/an/a 34n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM201001
PNG
(US9540364, example 13)
Show SMILES OC[C@H]1OC[C@@H](Oc2nc3c(F)c(c(F)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2)-n2ccnn2)[C@@H]1O
Show InChI InChI=1S/C26H21F2N5O4/c27-18-11-19-24(31-26(30-19)37-21-13-36-20(12-34)25(21)35)23(28)22(18)16-3-1-14(2-4-16)15-5-7-17(8-6-15)33-10-9-29-32-33/h1-11,20-21,25,34-35H,12-13H2,(H,30,31)/t20-,21-,25-/m1/s1
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n/an/an/an/a 5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM201009
PNG
(US9540364, example 19)
Show SMILES OC[C@H]1OC[C@@H](Oc2nc3c(F)c(c(F)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2)-c2nccs2)[C@@H]1O
Show InChI InChI=1S/C27H21F2N3O4S/c28-18-11-19-24(32-27(31-19)36-21-13-35-20(12-33)25(21)34)23(29)22(18)16-5-1-14(2-6-16)15-3-7-17(8-4-15)26-30-9-10-37-26/h1-11,20-21,25,33-34H,12-13H2,(H,31,32)/t20-,21-,25-/m1/s1
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n/an/an/an/a 67n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM201010
PNG
(US9540364, example 20)
Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)-c1ccc(cc1)-c1c(F)cc2[nH]c(O[C@@H]3CO[C@H](CO)[C@H]3O)nc2c1F
Show InChI InChI=1S/C28H22F2N4O4/c1-14-10-20(34-33-14)17-6-2-15(3-7-17)16-4-8-18(9-5-16)24-19(29)11-21-26(25(24)30)32-28(31-21)38-23-13-37-22(12-35)27(23)36/h2-11,22-23,27,35-36H,12-13H2,1H3/b16-15-,20-17-,24-18+/t22-,23-,27-/m1/s1
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n/an/an/an/a 50n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM200907
PNG
(US9540364, example 1)
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n/an/an/an/a 216n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM200992
PNG
(US9540364, example 3)
Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc2nc(O[C@@H]3CO[C@H](CO)[C@H]3O)[nH]c2cc1Cl
Show InChI InChI=1S/C26H24ClN3O5/c1-28-25(33)17-8-4-15(5-9-17)14-2-6-16(7-3-14)18-10-20-21(11-19(18)27)30-26(29-20)35-23-13-34-22(12-31)24(23)32/h2-11,22-24,31-32H,12-13H2,1H3,(H,28,33)(H,29,30)/t22-,23-,24-/m1/s1
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n/an/an/an/a 8n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM200993
PNG
(US9540364, example 4)
Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)-c1ccc(cc1)-c1cc2nc(O[C@@H]3CO[C@H](CO)[C@H]3O)[nH]c2cc1Cl
Show InChI InChI=1S/C28H23ClN4O4/c1-15-10-22(33-32-15)19-8-4-17(5-9-19)16-2-6-18(7-3-16)20-11-23-24(12-21(20)29)31-28(30-23)37-26-14-36-25(13-34)27(26)35/h2-12,25-27,34-35H,13-14H2,1H3/b17-16-,20-18-,22-19-/t25-,26-,27-/m1/s1
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n/an/an/an/a 104n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM200995
PNG
(US9540364, example 7)
Show SMILES OC[C@H]1OC[C@@H](Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2)-n2ccnn2)[C@@H]1O
Show InChI InChI=1S/C26H22ClN5O4/c27-20-12-22-21(29-26(30-22)36-24-14-35-23(13-33)25(24)34)11-19(20)17-3-1-15(2-4-17)16-5-7-18(8-6-16)32-10-9-28-31-32/h1-12,23-25,33-34H,13-14H2,(H,29,30)/t23-,24-,25-/m1/s1
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n/an/an/an/a 8n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM201006
PNG
(US9540364, example 16)
Show SMILES CC(CO)(CO)c1ccc(cc1)-c1ccc(cc1)-c1c(F)cc2[nH]c(O[C@@H]3CO[C@H](CO)[C@H]3O)nc2c1F
Show InChI InChI=1S/C28H28F2N2O6/c1-28(13-34,14-35)18-8-6-16(7-9-18)15-2-4-17(5-3-15)23-19(29)10-20-25(24(23)30)32-27(31-20)38-22-12-37-21(11-33)26(22)36/h2-10,21-22,26,33-36H,11-14H2,1H3,(H,31,32)/t21-,22-,26-/m1/s1
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n/an/an/an/a 6n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM201008
PNG
(US9540364, example 18)
Show SMILES OC[C@H]1OC[C@@H](Oc2nc3c(F)c(c(F)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2)C2CNCCO2)[C@@H]1O
Show InChI InChI=1S/C28H27F2N3O5/c29-19-11-20-26(33-28(32-20)38-23-14-37-22(13-34)27(23)35)25(30)24(19)18-7-3-16(4-8-18)15-1-5-17(6-2-15)21-12-31-9-10-36-21/h1-8,11,21-23,27,31,34-35H,9-10,12-14H2,(H,32,33)/t21?,22-,23-,27-/m1/s1
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n/an/an/an/a 34n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM200991
PNG
(US9540364, example 2)
Show SMILES OC[C@H]1OC[C@@H](Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2cccc(F)c2)[C@@H]1O
Show InChI InChI=1S/C24H20ClFN2O4/c25-18-10-20-19(27-24(28-20)32-22-12-31-21(11-29)23(22)30)9-17(18)14-6-4-13(5-7-14)15-2-1-3-16(26)8-15/h1-10,21-23,29-30H,11-12H2,(H,27,28)/t21-,22-,23-/m1/s1
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n/an/an/an/a 4.29E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM200996
PNG
(US9540364, example 8)
Show SMILES CC(CO)(CO)c1ccc(cc1)-c1ccc(cc1)-c1cc2nc(O[C@@H]3CO[C@H](CO)[C@H]3O)[nH]c2cc1Cl
Show InChI InChI=1S/C28H29ClN2O6/c1-28(14-33,15-34)19-8-6-17(7-9-19)16-2-4-18(5-3-16)20-10-22-23(11-21(20)29)31-27(30-22)37-25-13-36-24(12-32)26(25)35/h2-11,24-26,32-35H,12-15H2,1H3,(H,30,31)/t24-,25-,26-/m1/s1
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n/an/an/an/a 5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...


US Patent US9540364 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%