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Compile Data Set for Download or QSAR

Found 40 hits of ec50 data for polymerid = 8119   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192505
PNG
(US9187477, 1)
Show SMILES CCCC(=O)NC1CCN(CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl
PDB

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n/an/an/an/a 1.20n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
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
PDB

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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))
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
PDB

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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))
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
PDB

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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))
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
PDB

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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))
BDBM192510
PNG
(US9187477, 6)
Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@H]1CC[C@@H](CC1)OC(=O)N1CCOCC1
PDB

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n/an/an/an/a 6n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
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
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))
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
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))
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
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))
BDBM192508
PNG
(US9187477, 16 | US9187477, 4)
Show SMILES CC(C)OC(=O)NC1CCN(CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl
PDB

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n/an/an/an/a 12n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192513
PNG
(US9187477, 9)
Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@H]1CC[C@@H](CC1)OC(=O)N1CCCC1
PDB

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n/an/an/an/a 17n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
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
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))
BDBM192514
PNG
(US9187477, 10)
Show SMILES CCNC(=O)O[C@H]1CC[C@H](CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl
PDB

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n/an/an/an/a 26n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192506
PNG
(US9187477, 2)
Show SMILES CN(C)C(=O)OC1CCN(CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl
PDB

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n/an/an/an/a 32n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
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
PDB

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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
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
PDB

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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))
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
PDB

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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))
BDBM192515
PNG
(US9187477, 11)
Show SMILES CC(C)NC(=O)O[C@H]1CC[C@H](CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl
PDB

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n/an/an/an/a 35n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
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
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))
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
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
PDB

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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))
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
PDB

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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))
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
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))
BDBM192507
PNG
(US9187477, 3)
Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@@H]1CC[C@@H](CC1)NC(=O)OC1CCCC1
PDB

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n/an/an/an/a 108n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192509
PNG
(US9187477, 5)
Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@@H]1CC[C@@H](CC1)NC(=O)OC1CCOCC1
PDB

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n/an/an/an/a 119n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192519
PNG
(US9187477, 15)
Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)N1CCC(CC1)OC(=O)N1CCOCC1
PDB

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n/an/an/an/a 133n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
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
PDB

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UniChem
US Patent
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))
BDBM200907
PNG
(US9540364, example 1)
PDB

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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))
BDBM192508
PNG
(US9187477, 16 | US9187477, 4)
Show SMILES CC(C)OC(=O)NC1CCN(CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl
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US Patent
n/an/an/an/a 290n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192512
PNG
(US9187477, 8)
Show SMILES CC(C)NC(=O)O[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl
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n/an/an/an/a 339n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192511
PNG
(US9187477, 7)
Show SMILES CCNC(=O)O[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl
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n/an/an/an/a 468n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192518
PNG
(US9187477, 14)
Show SMILES CC(C)NC(=O)OC1CCN(CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl
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n/an/an/an/a 578n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192516
PNG
(US9187477, 12)
Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@@H]1CC[C@@H](CC1)OC(=O)N1CCOCC1
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n/an/an/an/a 1.31E+3n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192517
PNG
(US9187477, 13)
Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@@H]1CC[C@@H](CC1)OC(=O)N1CCCC1
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n/an/an/an/a 2.04E+3n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM50434271
PNG
(CHEMBL2385951)
Show SMILES OC(=O)c1cccc(CN2C(=O)\C(=C\c3ccc(o3)-c3cccc(c3)[N+]([O-])=O)c3ccccc23)c1
Show InChI InChI=1S/C27H18N2O6/c30-26-23(15-21-11-12-25(35-21)18-6-4-8-20(14-18)29(33)34)22-9-1-2-10-24(22)28(26)16-17-5-3-7-19(13-17)27(31)32/h1-15H,16H2,(H,31,32)/b23-15+
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n/an/an/an/a 2.10E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of recombinant AMPK alpha1 (1 to 394) (unknown origin) after 2 hrs by scintillation proximity assay


ACS Med Chem Lett 4: 475-80 (2013)


Article DOI: 10.1021/ml400028q
BindingDB Entry DOI: 10.7270/Q2Z039HW
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
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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))
BDBM50434272
PNG
(CHEMBL1242297)
Show SMILES Cc1cc(-c2ccc(\C=C3/S\C(NC3=O)=N/c3ccc(Cl)c(c3)C(O)=O)o2)c(cc1C)[N+]([O-])=O
Show InChI InChI=1S/C23H16ClN3O6S/c1-11-7-16(18(27(31)32)8-12(11)2)19-6-4-14(33-19)10-20-21(28)26-23(34-20)25-13-3-5-17(24)15(9-13)22(29)30/h3-10H,1-2H3,(H,29,30)(H,25,26,28)/b20-10-
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n/an/an/an/a 8.00E+3n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Activation of human recombinant AMPK alpha1 subunit


J Med Chem 58: 2-29 (2015)


Article DOI: 10.1021/jm401994c
BindingDB Entry DOI: 10.7270/Q2KH0PZW
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM50434272
PNG
(CHEMBL1242297)
Show SMILES Cc1cc(-c2ccc(\C=C3/S\C(NC3=O)=N/c3ccc(Cl)c(c3)C(O)=O)o2)c(cc1C)[N+]([O-])=O
Show InChI InChI=1S/C23H16ClN3O6S/c1-11-7-16(18(27(31)32)8-12(11)2)19-6-4-14(33-19)10-20-21(28)26-23(34-20)25-13-3-5-17(24)15(9-13)22(29)30/h3-10H,1-2H3,(H,29,30)(H,25,26,28)/b20-10-
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n/an/an/an/a 8.00E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Activation of human recombinant AMPK alpha1 (1 to 394 residues) expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL using SAMS peptide after 10 m...


Bioorg Med Chem Lett 26: 5139-5148 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM50434272
PNG
(CHEMBL1242297)
Show SMILES Cc1cc(-c2ccc(\C=C3/S\C(NC3=O)=N/c3ccc(Cl)c(c3)C(O)=O)o2)c(cc1C)[N+]([O-])=O
Show InChI InChI=1S/C23H16ClN3O6S/c1-11-7-16(18(27(31)32)8-12(11)2)19-6-4-14(33-19)10-20-21(28)26-23(34-20)25-13-3-5-17(24)15(9-13)22(29)30/h3-10H,1-2H3,(H,29,30)(H,25,26,28)/b20-10-
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n/an/an/an/a 9.00E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of human AMPK alpha1 (1 to 394) expressed in African green monkey COS7 cells


ACS Med Chem Lett 4: 475-80 (2013)


Article DOI: 10.1021/ml400028q
BindingDB Entry DOI: 10.7270/Q2Z039HW
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM50434272
PNG
(CHEMBL1242297)
Show SMILES Cc1cc(-c2ccc(\C=C3/S\C(NC3=O)=N/c3ccc(Cl)c(c3)C(O)=O)o2)c(cc1C)[N+]([O-])=O
Show InChI InChI=1S/C23H16ClN3O6S/c1-11-7-16(18(27(31)32)8-12(11)2)19-6-4-14(33-19)10-20-21(28)26-23(34-20)25-13-3-5-17(24)15(9-13)22(29)30/h3-10H,1-2H3,(H,29,30)(H,25,26,28)/b20-10-
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n/an/an/an/a 9.60E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of recombinant AMPK alpha1 (1 to 394) (unknown origin) after 2 hrs by scintillation proximity assay


ACS Med Chem Lett 4: 475-80 (2013)


Article DOI: 10.1021/ml400028q
BindingDB Entry DOI: 10.7270/Q2Z039HW
More data for this
Ligand-Target Pair