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Compile Data Set for Download or QSAR

Found 1504 hits Enz. Inhib. hit(s) with Target = 'ampk'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5'-AMP-activated protein kinase subunit beta-1


(Homo sapiens (Human))
BDBM50195477
PNG
(CHEMBL3979403)
Show SMILES COc1cc(on1)C(O)=C1C(=O)Nc2cc(Cl)c(cc12)-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C22H16ClN3O4/c1-26-6-5-12-7-11(3-4-17(12)26)13-8-14-16(9-15(13)23)24-22(28)20(14)21(27)18-10-19(29-2)25-30-18/h3-10,27H,1-2H3,(H,24,28)/b21-20+
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n/an/an/an/a 0.700n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human His-tagged AMPK alpha2 (2 to 552 residues)/beta1 (2 to 270 residues)/gamma2 (2 to 569 residues) expressed in baculovi...


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
AMPK subunit alpha-2


(Homo sapiens (Human))
BDBM244234
PNG
(US9428501, 58)
Show SMILES CCOc1cnc(CN2CCC(CC2)n2cc3cc(ccc3n2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1
Show InChI InChI=1S/C32H36F3N7O2/c1-2-44-30-19-36-27(18-37-30)22-39-11-9-28(10-12-39)42-21-25-17-24(5-8-29(25)38-42)31(43)41-15-13-40(14-16-41)20-23-3-6-26(7-4-23)32(33,34)35/h3-8,17-19,21,28H,2,9-16,20,22H2,1H3
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n/an/an/an/a 0.860n/an/an/a37



Astellas Pharma Inc

US Patent


Assay Description
In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...


US Patent US9428501 (2016)


BindingDB Entry DOI: 10.7270/Q28051JK
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213199
PNG
(US9290517, 129)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)-n1cnc(=O)[nH]1
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n/an/an/an/a 1n/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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213209
PNG
(US9290517, 150)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)-n1ccc(=O)[nH]1
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n/an/an/an/a 1n/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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213202
PNG
(US9290517, 133)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)C1CNCCO1
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n/an/an/an/a 1n/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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
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
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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
AMPK subunit alpha-2


(Homo sapiens (Human))
BDBM244236
PNG
(US9428501, 69)
Show SMILES CCOc1cnc(CN2CCC(CC2)c2ccc3cc(C(=O)N4CCN(Cc5ccc(cc5)C#N)CC4)n(C)c3c2)cn1
Show InChI InChI=1S/C34H39N7O2/c1-3-43-33-22-36-30(21-37-33)24-39-12-10-27(11-13-39)28-8-9-29-19-32(38(2)31(29)18-28)34(42)41-16-14-40(15-17-41)23-26-6-4-25(20-35)5-7-26/h4-9,18-19,21-22,27H,3,10-17,23-24H2,1-2H3
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n/an/an/an/a 1.80n/an/an/a37



Astellas Pharma Inc

US Patent


Assay Description
In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...


US Patent US9428501 (2016)


BindingDB Entry DOI: 10.7270/Q28051JK
More data for this
Ligand-Target Pair
AMPK subunit alpha-2


(Homo sapiens (Human))
BDBM244233
PNG
(US9428501, 57)
Show SMILES COc1ccc(CN2CCC(CC2)n2cc3cc(ccc3n2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1
Show InChI InChI=1S/C32H35F3N6O2/c1-43-30-9-4-24(19-36-30)21-38-12-10-28(11-13-38)41-22-26-18-25(5-8-29(26)37-41)31(42)40-16-14-39(15-17-40)20-23-2-6-27(7-3-23)32(33,34)35/h2-9,18-19,22,28H,10-17,20-21H2,1H3
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n/an/an/an/a 1.80n/an/an/a37



Astellas Pharma Inc

US Patent


Assay Description
In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...


US Patent US9428501 (2016)


BindingDB Entry DOI: 10.7270/Q28051JK
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase subunit gamma-1


(Homo sapiens (Human))
BDBM50195534
PNG
(CHEMBL3957286)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2cc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1c(O)cccc1O
Show InChI InChI=1S/C25H21ClN2O6/c26-15-9-17-16(27-25(28-17)34-21-11-33-23-20(31)10-32-24(21)23)8-14(15)12-4-6-13(7-5-12)22-18(29)2-1-3-19(22)30/h1-9,20-21,23-24,29-31H,10-11H2,(H,27,28)/t20-,21-,23-,24-/m1/s1
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n/an/an/an/a 2n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Activation of human recombinant AMPK alpha2/beta2/gamma1 expressed in African green monkey COS7 cells assessed as increase in biotinylated AAC (1 to ...


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
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM260449
PNG
(US9527839, 48)
Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(cc1)-c1c(F)cc2[nH]c(O[C@H]3CO[C@H](CO)[C@@H](O)C3)nc2c1F
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n/an/an/an/a 2n/an/a7.325



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9527839 (2016)


BindingDB Entry DOI: 10.7270/Q2N58K9B
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM260447
PNG
(US9527839, 45)
Show SMILES OC[C@H]1OC[C@@H](C[C@@H]1O)Oc1nc2c(F)c(c(F)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)-n1cncn1
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n/an/an/an/a 2n/an/a7.325



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9527839 (2016)


BindingDB Entry DOI: 10.7270/Q2N58K9B
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213210
PNG
(US9290517, 151)
Show SMILES CN(C)CCOc1ccc(cc1)-c1ccc(cc1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1Cl
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n/an/an/an/a 2n/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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213208
PNG
(US9290517, 149)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)C1CNC(=O)C1
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n/an/an/an/a 2n/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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213204
PNG
(US9290517, 142)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(Cn2ncnn2)cc1
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n/an/an/an/a 2n/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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213200
PNG
(US9290517, 130)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1nccc(O)n1
PDB

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n/an/an/an/a 2n/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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213198
PNG
(US9290517, 128)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)-n1cc(nn1)C(O)(O)C(F)(F)F
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n/an/an/an/a 2n/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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213190
PNG
(US9290517, 79)
Show SMILES CC(CO)(CO)c1ccc(cc1)-c1ccc(cc1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1Cl
PDB

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n/an/an/an/a 2n/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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM50195475
PNG
(CHEMBL3393127)
Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc3n(C)ccc3c2)cc1C(O)=O
Show InChI InChI=1S/C24H18ClN3O3/c1-13-3-5-16(10-17(13)23(29)30)31-24-26-20-11-18(19(25)12-21(20)27-24)14-4-6-22-15(9-14)7-8-28(22)2/h3-12H,1-2H3,(H,26,27)(H,29,30)
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n/an/an/an/a 2n/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant phosphorylated AMPK complex 7 alpha2/beta1/gamma1 expressed in baculovirus infected Sf21 cells assessed as phos...


J Med Chem 60: 9040-9052 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01344
BindingDB Entry DOI: 10.7270/Q2V69N0Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
AMPK subunit alpha-2


(Homo sapiens (Human))
BDBM244235
PNG
(US9428501, 66)
Show SMILES CCOc1cnc(CN2CCC(CC2)c2ccc3n(C)c(cc3c2)C(=O)N2CCN(Cc3ccc(cc3)C#N)CC2)cn1
Show InChI InChI=1S/C34H39N7O2/c1-3-43-33-22-36-30(21-37-33)24-39-12-10-27(11-13-39)28-8-9-31-29(18-28)19-32(38(31)2)34(42)41-16-14-40(15-17-41)23-26-6-4-25(20-35)5-7-26/h4-9,18-19,21-22,27H,3,10-17,23-24H2,1-2H3
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n/an/an/an/a 2.80n/an/an/a37



Astellas Pharma Inc

US Patent


Assay Description
In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...


US Patent US9428501 (2016)


BindingDB Entry DOI: 10.7270/Q28051JK
More data for this
Ligand-Target Pair
AMPK subunit alpha-2


(Homo sapiens (Human))
BDBM244223
PNG
(US9428501, 18)
Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc(C(=O)N4CCN(Cc5ccc(cc5)C(F)(F)F)CC4)n(C)c3c2)cn1
Show InChI InChI=1S/C33H37F3N6O2/c1-39-29-19-26(25-11-13-40(14-12-25)22-24-5-10-30(44-2)37-20-24)6-9-28(29)38-31(39)32(43)42-17-15-41(16-18-42)21-23-3-7-27(8-4-23)33(34,35)36/h3-10,19-20,25H,11-18,21-22H2,1-2H3
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n/an/an/an/a 3n/an/an/a37



Astellas Pharma Inc

US Patent


Assay Description
In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...


US Patent US9428501 (2016)


BindingDB Entry DOI: 10.7270/Q28051JK
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM260439
PNG
(US9527839, 35)
Show SMILES OC[C@H]1OC[C@@H](C[C@@H]1O)Oc1nc2c(F)c(c(F)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1nccc(O)n1
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n/an/an/an/a 3n/an/a7.325



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9527839 (2016)


BindingDB Entry DOI: 10.7270/Q2N58K9B
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213201
PNG
(US9290517, 131)
Show SMILES Cc1cc(-c2ccc(cc2)-c2ccc(cc2)-c2nc3nc(O[C@@H]4CO[C@@H]5[C@H](O)CO[C@H]45)[nH]c3cc2Cl)c(=O)[nH]n1
Show InChI InChI=1S/C29H22ClN5O5/c1-14-10-19(28(37)35-34-14)17-6-2-15(3-7-17)16-4-8-18(9-5-16)24-20(30)11-21-27(32-24)33-29(31-21)40-23-13-39-25-22(36)12-38-26(23)25/h2-11,22-23,25-26,36H,12-13H2,1H3/b16-15-,19-17-,24-18+/t22-,23-,25-,26-/m1/s1
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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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM50246158
PNG
(CHEMBL3393128)
Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2O)cc1C(O)=O
Show InChI InChI=1S/C27H19ClN2O4/c1-15-6-11-18(12-20(15)26(32)33)34-27-29-23-13-21(22(28)14-24(23)30-27)17-9-7-16(8-10-17)19-4-2-3-5-25(19)31/h2-14,31H,1H3,(H,29,30)(H,32,33)
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Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant phosphorylated AMPK complex 7 alpha2/beta1/gamma1 expressed in baculovirus infected Sf21 cells assessed as phos...


J Med Chem 60: 9040-9052 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01344
BindingDB Entry DOI: 10.7270/Q2V69N0Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213196
PNG
(US9290517, 126)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)C1Cc2nccn2C1
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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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213192
PNG
(US9290517, 87)
Show SMILES Cc1nnc(o1)-c1ccc(cc1)-c1ccc(cc1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1Cl
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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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
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
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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
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM260440
PNG
(US9527839, 36)
Show SMILES OC[C@H]1OC[C@@H](C[C@@H]1O)Oc1nc2c(F)c(c(F)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)C1CNCCO1
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n/an/an/an/a 3n/an/a7.325



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9527839 (2016)


BindingDB Entry DOI: 10.7270/Q2N58K9B
More data for this
Ligand-Target Pair
AMPK subunit alpha-2


(Homo sapiens (Human))
BDBM244237
PNG
(US9428501, 79)
Show SMILES COc1cnc(CN2CCC(CC2)c2ccc3n(C)c(cc3c2)C(=O)N2CCN(Cc3ccc(cc3)C#N)CC2)cn1
Show InChI InChI=1S/C33H37N7O2/c1-37-30-8-7-27(26-9-11-38(12-10-26)23-29-20-36-32(42-2)21-35-29)17-28(30)18-31(37)33(41)40-15-13-39(14-16-40)22-25-5-3-24(19-34)4-6-25/h3-8,17-18,20-21,26H,9-16,22-23H2,1-2H3
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n/an/an/an/a 3.30n/an/an/a37



Astellas Pharma Inc

US Patent


Assay Description
In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...


US Patent US9428501 (2016)


BindingDB Entry DOI: 10.7270/Q28051JK
More data for this
Ligand-Target Pair
AMPK subunit alpha-2


(Homo sapiens (Human))
BDBM244226
PNG
(US9428501, 35)
Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc(cn3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1
Show InChI InChI=1S/C32H35F3N6O2/c1-43-30-9-4-24(18-36-30)20-38-12-10-25(11-13-38)26-5-8-29-37-28(22-41(29)21-26)31(42)40-16-14-39(15-17-40)19-23-2-6-27(7-3-23)32(33,34)35/h2-9,18,21-22,25H,10-17,19-20H2,1H3
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n/an/an/an/a 3.60n/an/an/a37



Astellas Pharma Inc

US Patent


Assay Description
In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...


US Patent US9428501 (2016)


BindingDB Entry DOI: 10.7270/Q28051JK
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213206
PNG
(US9290517, 146)
Show SMILES OCc1ccc(cc1)-c1ccc(cc1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1Cl
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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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213203
PNG
(US9290517, 138)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1noc(=O)[nH]1
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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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta2/gamma3


(Homo sapiens (Human))
BDBM50195534
PNG
(CHEMBL3957286)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2cc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1c(O)cccc1O
Show InChI InChI=1S/C25H21ClN2O6/c26-15-9-17-16(27-25(28-17)34-21-11-33-23-20(31)10-32-24(21)23)8-14(15)12-4-6-13(7-5-12)22-18(29)2-1-3-19(22)30/h1-9,20-21,23-24,29-31H,10-11H2,(H,27,28)/t20-,21-,23-,24-/m1/s1
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Pfizer Inc

Curated by ChEMBL


Assay Description
Activation of human recombinant AMPK alpha2/beta2/gamma3 expressed in African green monkey COS7 cells assessed as increase in biotinylated AAC (1 to ...


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
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM260445
PNG
(US9527839, 43)
Show SMILES OC[C@H]1OC[C@@H](C[C@@H]1O)Oc1nc2c(F)c(c(F)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)C1CCNC1=O
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n/an/an/an/a 4n/an/a7.325



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9527839 (2016)


BindingDB Entry DOI: 10.7270/Q2N58K9B
More data for this
Ligand-Target Pair
AMPK alpha1/beta2/gamma1


(Homo sapiens (Human))
BDBM50195534
PNG
(CHEMBL3957286)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2cc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1c(O)cccc1O
Show InChI InChI=1S/C25H21ClN2O6/c26-15-9-17-16(27-25(28-17)34-21-11-33-23-20(31)10-32-24(21)23)8-14(15)12-4-6-13(7-5-12)22-18(29)2-1-3-19(22)30/h1-9,20-21,23-24,29-31H,10-11H2,(H,27,28)/t20-,21-,23-,24-/m1/s1
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Pfizer Inc

Curated by ChEMBL


Assay Description
Activation of human recombinant AMPK alpha1/beta2/gamma1 expressed in African green monkey COS7 cells assessed as increase in biotinylated AAC (1 to ...


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
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213197
PNG
(US9290517, 127)
Show SMILES Cn1c(N)ncc1-c1ccc(cc1)-c1ccc(cc1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1Cl
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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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213191
PNG
(US9290517, 86)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(CCCC(O)=O)cc1
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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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213207
PNG
(US9290517, 147)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(Cn2ccnc2)cc1
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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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
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
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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
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213189
PNG
(US9290517, 73)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)-n1cc[nH]c1=O
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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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM260443
PNG
(US9527839, 40)
Show SMILES Nc1nc(=N)n([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1c(F)cc2[nH]c(O[C@H]3CO[C@H](CO)[C@@H](O)C3)nc2c1F
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n/an/an/an/a 5n/an/a7.325



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9527839 (2016)


BindingDB Entry DOI: 10.7270/Q2N58K9B
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213193
PNG
(US9290517, 102)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1F)C#N
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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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
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
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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
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213194
PNG
(US9290517, 105)
Show SMILES CCN(CC)c1ccc(cc1)-c1ccc(cc1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1Cl
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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 US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
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
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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
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213193
PNG
(US9290517, 102)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1F)C#N
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Pfizer Inc

Curated by ChEMBL


Assay Description
Activation of full length human recombinant AMPK alpha2/beta1/gamma1 expressed in baculovirus infected sf21 cells using 5'-FAM-SAMS peptide substrate...


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
AMPK subunit alpha-2


(Homo sapiens (Human))
BDBM244227
PNG
(US9428501, 36)
Show SMILES COc1ccc(CN2CCC(CC2)c2ccn3cc(nc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1
Show InChI InChI=1S/C32H35F3N6O2/c1-43-30-7-4-24(19-36-30)21-38-11-8-25(9-12-38)26-10-13-41-22-28(37-29(41)18-26)31(42)40-16-14-39(15-17-40)20-23-2-5-27(6-3-23)32(33,34)35/h2-7,10,13,18-19,22,25H,8-9,11-12,14-17,20-21H2,1H3
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n/an/an/an/a 5.10n/an/an/a37



Astellas Pharma Inc

US Patent


Assay Description
In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...


US Patent US9428501 (2016)


BindingDB Entry DOI: 10.7270/Q28051JK
More data for this
Ligand-Target Pair
AMPK subunit alpha-2


(Homo sapiens (Human))
BDBM244230
PNG
(US9428501, 44)
Show SMILES COc1ccc(CN2CCC(CC2)c2cc3cc(C(=O)N4CCN(Cc5ccc(cc5)C(F)(F)F)CC4)n(C)c3cn2)cn1
Show InChI InChI=1S/C33H37F3N6O2/c1-39-29(32(43)42-15-13-41(14-16-42)21-23-3-6-27(7-4-23)33(34,35)36)18-26-17-28(37-20-30(26)39)25-9-11-40(12-10-25)22-24-5-8-31(44-2)38-19-24/h3-8,17-20,25H,9-16,21-22H2,1-2H3
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n/an/an/an/a 5.20n/an/an/a37



Astellas Pharma Inc

US Patent


Assay Description
In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...


US Patent US9428501 (2016)


BindingDB Entry DOI: 10.7270/Q28051JK
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
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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
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM50244667
PNG
(CHEMBL4105032)
Show SMILES OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)[C@@H]3CCCCO3)c(F)c12
Show InChI InChI=1S/C20H17F2NO3/c21-14-9-15-18(13(10-23-15)20(24)25)19(22)17(14)12-6-4-11(5-7-12)16-3-1-2-8-26-16/h4-7,9-10,16,23H,1-3,8H2,(H,24,25)/t16-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept...


J Med Chem 61: 7273-7288 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT
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
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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
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