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USPatent 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))
BDBM200907
PNG
(US9540364, example 1)
Show SMILES OC[C@H]1OC[C@@H](Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)[C@@H]1O |r|
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/an/a 216n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
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 |r|
PDB

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US Patent
n/an/an/an/a 5n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
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 |r|
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
PDB

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n/an/an/an/a 50n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
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 |r|
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/an/a 67n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
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 |r|
PDB

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n/an/an/an/a 8n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
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 |r|
PDB

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US Patent
n/an/an/an/a 3n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
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 |r|
PDB

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n/an/an/an/a 6n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
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 |r|
PDB

UniProtKB/SwissProt

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n/an/an/an/a 34n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
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 |r|
PDB

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n/an/an/an/a 38n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
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 |r|
PDB

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n/an/an/an/a 20n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
More data for this
Ligand-Target Pair
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 |r|
PDB

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n/an/an/an/a 209n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
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 |r|
PDB

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US Patent
n/an/an/an/a 4n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
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 |r|
PDB

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US Patent
n/an/an/an/a 4.29E+3n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
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 |r|
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
PDB

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n/an/an/an/a 104n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
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 |r|
PDB

UniProtKB/SwissProt

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n/an/an/an/a 8n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
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 |r|
PDB

UniProtKB/SwissProt

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n/an/an/an/a 34n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
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 |r|
PDB

UniProtKB/SwissProt

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n/an/an/an/a 76n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
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 |r|
PDB

UniProtKB/SwissProt

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n/an/an/an/a 5n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
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 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
n/an/an/an/a 33n/an/a7.3n/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)


BindingDB Entry DOI: 10.7270/Q2SB43X2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%