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Compile Data Set for Download or QSAR

Found 1475 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/IC50
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+
PDB

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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
PDB

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US Patent
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
Show InChI InChI=1/C26H21ClN6O5/c27-17-9-18-24(31-26(29-18)38-20-11-37-22-19(34)10-36-23(20)22)30-21(17)15-3-1-13(2-4-15)14-5-7-16(8-6-14)33-12-28-25(35)32-33/h1-9,12,19-20,22-23,34H,10-11H2,(H,32,35)(H,29,30,31)/t19-,20-,22-,23-/s2
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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
Show InChI InChI=1/C27H22ClN5O5/c28-18-11-19-26(31-27(29-19)38-21-13-37-24-20(34)12-36-25(21)24)30-23(18)16-3-1-14(2-4-16)15-5-7-17(8-6-15)33-10-9-22(35)32-33/h1-11,20-21,24-25,34H,12-13H2,(H,32,35)(H,29,30,31)/t20-,21-,24-,25-/s2
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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
Show InChI InChI=1/C28H27ClN4O5/c29-19-11-20-27(33-28(31-20)38-23-14-37-25-21(34)13-36-26(23)25)32-24(19)18-7-3-16(4-8-18)15-1-5-17(6-2-15)22-12-30-9-10-35-22/h1-8,11,21-23,25-26,30,34H,9-10,12-14H2,(H,31,32,33)/t21-,22?,23-,25-,26-/s2
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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
Show InChI InChI=1/C27H32ClN5O5/c1-2-3-22(35)29-16-8-10-33(11-9-16)17-6-4-15(5-7-17)23-18(28)12-19-26(31-23)32-27(30-19)38-21-14-37-24-20(34)13-36-25(21)24/h4-7,12,16,20-21,24-25,34H,2-3,8-11,13-14H2,1H3,(H,29,35)(H,30,31,32)/t20-,21-,24?,25?/s2
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US Patent
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=1/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-/s2
PDB

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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
Show InChI InChI=1/C27H25F2N3O5/c1-30-26(35)17-8-4-15(5-9-17)14-2-6-16(7-3-14)23-19(28)11-20-25(24(23)29)32-27(31-20)37-18-10-21(34)22(12-33)36-13-18/h2-9,11,18,21-22,33-34H,10,12-13H2,1H3,(H,30,35)(H,31,32)/t18-,21+,22-/s2
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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
Show InChI InChI=1/C27H23F2N5O4/c28-20-10-21-26(33-27(32-21)38-19-9-22(36)23(11-35)37-12-19)25(29)24(20)17-3-1-15(2-4-17)16-5-7-18(8-6-16)34-14-30-13-31-34/h1-8,10,13-14,19,22-23,35-36H,9,11-12H2,(H,32,33)/t19-,22+,23-/s2
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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
Show InChI InChI=1/C28H29ClN4O5/c1-33(2)11-12-35-19-9-7-17(8-10-19)16-3-5-18(6-4-16)24-20(29)13-21-27(31-24)32-28(30-21)38-23-15-37-25-22(34)14-36-26(23)25/h3-10,13,22-23,25-26,34H,11-12,14-15H2,1-2H3,(H,30,31,32)/t22-,23-,25-,26-/s2
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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
Show InChI InChI=1/C28H25ClN4O5/c29-19-10-20-27(33-28(31-20)38-22-13-37-25-21(34)12-36-26(22)25)32-24(19)17-7-5-15(6-8-17)14-1-3-16(4-2-14)18-9-23(35)30-11-18/h1-8,10,18,21-22,25-26,34H,9,11-13H2,(H,30,35)(H,31,32,33)/t18?,21-,22-,25-,26-/s2
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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
Show InChI InChI=1/C26H22ClN7O4/c27-18-9-19-25(32-26(30-19)38-21-12-37-23-20(35)11-36-24(21)23)31-22(18)17-7-5-16(6-8-17)15-3-1-14(2-4-15)10-34-29-13-28-33-34/h1-9,13,20-21,23-24,35H,10-12H2,(H,30,31,32)/t20-,21-,23-,24-/s2
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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
Show InChI InChI=1/C28H22ClN5O5/c29-18-11-19-27(34-28(31-19)39-21-13-38-24-20(35)12-37-25(21)24)33-23(18)16-5-1-14(2-6-16)15-3-7-17(8-4-15)26-30-10-9-22(36)32-26/h1-11,20-21,24-25,35H,12-13H2,(H,30,32,36)(H,31,33,34)/t20-,21-,24-,25-/s2
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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
Show InChI InChI=1/C28H22ClF3N6O6/c29-17-9-18-25(35-26(33-18)44-20-12-43-23-19(39)11-42-24(20)23)34-22(17)15-3-1-13(2-4-15)14-5-7-16(8-6-14)38-10-21(36-37-38)27(40,41)28(30,31)32/h1-10,19-20,23-24,39-41H,11-12H2,(H,33,34,35)/t19-,20-,23-,24-/s2
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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
Show InChI InChI=1/C28H28ClN3O6/c1-28(13-33,14-34)18-8-6-16(7-9-18)15-2-4-17(5-3-15)23-19(29)10-20-26(31-23)32-27(30-20)38-22-12-37-24-21(35)11-36-25(22)24/h2-10,21-22,24-25,33-35H,11-14H2,1H3,(H,30,31,32)/t21-,22-,24-,25-/s2
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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
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
Show InChI InChI=1/C29H24F2N4O5/c30-20-12-21-27(35-29(33-21)40-19-11-22(37)23(13-36)39-14-19)26(31)25(20)17-5-1-15(2-6-17)16-3-7-18(8-4-16)28-32-10-9-24(38)34-28/h1-10,12,19,22-23,36-37H,11,13-14H2,(H,33,35)(H,32,34,38)/t19-,22+,23-/s2
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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=1/C29H24ClN5O5/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,(H,35,37)(H,31,32,33)/t22-,23-,25-,26-/s2
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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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n/an/an/an/a 3n/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
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
Show InChI InChI=1/C30H26ClN5O4/c31-21-12-22-29(35-30(33-22)40-24-15-39-27-23(37)14-38-28(24)27)34-26(21)19-7-5-17(6-8-19)16-1-3-18(4-2-16)20-11-25-32-9-10-36(25)13-20/h1-10,12,20,23-24,27-28,37H,11,13-15H2,(H,33,34,35)/t20?,23-,24-,27-,28-/s2
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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
Show InChI InChI=1/C27H22ClN5O5/c1-13-32-33-26(37-13)17-8-4-15(5-9-17)14-2-6-16(7-3-14)22-18(28)10-19-25(30-22)31-27(29-19)38-21-12-36-23-20(34)11-35-24(21)23/h2-10,20-21,23-24,34H,11-12H2,1H3,(H,29,30,31)/t20-,21-,23-,24-/s2
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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
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=1/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-/s2
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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)


Article DOI: 10.1021/jm970124v
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
Show InChI InChI=1/C29H29F2N3O5/c30-21-12-22-28(34-29(33-22)39-20-11-23(36)25(14-35)38-15-20)27(31)26(21)19-7-3-17(4-8-19)16-1-5-18(6-2-16)24-13-32-9-10-37-24/h1-8,12,20,23-25,32,35-36H,9-11,13-15H2,(H,33,34)/t20-,23+,24?,25-/s2
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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
Show InChI InChI=1/C25H22ClN3O5/c26-17-9-18-24(29-25(27-18)34-20-12-33-22-19(31)11-32-23(20)22)28-21(17)16-7-5-15(6-8-16)14-3-1-13(10-30)2-4-14/h1-9,19-20,22-23,30-31H,10-12H2,(H,27,28,29)/t19-,20-,22-,23-/s2
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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 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
Show InChI InChI=1/C26H20ClN5O6/c27-16-9-17-24(30-25(28-17)37-19-11-36-21-18(33)10-35-22(19)21)29-20(16)14-5-1-12(2-6-14)13-3-7-15(8-4-13)23-31-26(34)38-32-23/h1-9,18-19,21-22,33H,10-11H2,(H,28,29,30)(H,31,32,34)/t18-,19-,21-,22-/s2
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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 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=1/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-/s2
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n/an/an/an/a 4n/an/an/an/a



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
Show InChI InChI=1/C29H27F2N3O5/c30-21-12-22-27(34-29(33-22)39-19-11-23(36)24(13-35)38-14-19)26(31)25(21)18-7-3-16(4-8-18)15-1-5-17(6-2-15)20-9-10-32-28(20)37/h1-8,12,19-20,23-24,35-36H,9-11,13-14H2,(H,32,37)(H,33,34)/t19-,20?,23+,24-/s2
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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=1/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-/s2
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n/an/an/an/a 4n/an/an/an/a



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
Show InChI InChI=1/C28H25ClN6O4/c1-35-20(11-31-27(35)30)16-6-2-14(3-7-16)15-4-8-17(9-5-15)23-18(29)10-19-26(33-23)34-28(32-19)39-22-13-38-24-21(36)12-37-25(22)24/h2-11,21-22,24-25,36H,12-13H2,1H3,(H2,30,31)(H,32,33,34)/t21-,22-,24-,25-/s2
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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 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
Show InChI InChI=1/C28H26ClN3O6/c29-19-12-20-27(32-28(30-20)38-22-14-37-25-21(33)13-36-26(22)25)31-24(19)18-10-8-17(9-11-18)16-6-4-15(5-7-16)2-1-3-23(34)35/h4-12,21-22,25-26,33H,1-3,13-14H2,(H,34,35)(H,30,31,32)/t21-,22-,25-,26-/s2
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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 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
Show InChI InChI=1/C28H24ClN5O4/c29-20-11-21-27(33-28(31-21)38-23-14-37-25-22(35)13-36-26(23)25)32-24(20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)12-34-10-9-30-15-34/h1-11,15,22-23,25-26,35H,12-14H2,(H,31,32,33)/t22-,23-,25-,26-/s2
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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 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
Show InChI InChI=1/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-/s2
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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)


Article DOI: 10.1021/jm970124v
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
Show InChI InChI=1/C27H22ClN5O5/c28-18-11-19-25(32-26(30-19)38-21-13-37-23-20(34)12-36-24(21)23)31-22(18)16-3-1-14(2-4-16)15-5-7-17(8-6-15)33-10-9-29-27(33)35/h1-11,20-21,23-24,34H,12-13H2,(H,29,35)(H,30,31,32)/t20-,21-,23-,24-/s2
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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 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
Show InChI InChI=1/C27H25F2N7O4/c28-18-10-19-24(33-27(32-19)40-17-9-20(38)21(11-37)39-12-17)23(29)22(18)15-3-1-13(2-4-15)14-5-7-16(8-6-14)36-26(31)34-25(30)35-36/h1-8,10,17,20-21,37-38H,9,11-12H2,(H,32,33)(H4,30,31,34,35)/t17-,20+,21-/s2
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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
Show InChI InChI=1/C25H18ClFN4O4/c26-16-8-18-24(31-25(29-18)35-20-11-34-22-19(32)10-33-23(20)22)30-21(16)14-4-2-13(3-5-14)15-6-1-12(9-28)7-17(15)27/h1-8,19-20,22-23,32H,10-11H2,(H,29,30,31)/t19-,20-,22-,23-/s2
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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 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
Show InChI InChI=1/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-/s2
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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)


Article DOI: 10.1021/jm970124v
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
Show InChI InChI=1/C28H29ClN4O4/c1-3-33(4-2)19-11-9-17(10-12-19)16-5-7-18(8-6-16)24-20(29)13-21-27(31-24)32-28(30-21)37-23-15-36-25-22(34)14-35-26(23)25/h5-13,22-23,25-26,34H,3-4,14-15H2,1-2H3,(H,30,31,32)/t22-,23-,25-,26-/s2
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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 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
Show InChI InChI=1/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-/s2
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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)


Article DOI: 10.1021/jm970124v
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
Show InChI InChI=1/C25H18ClFN4O4/c26-16-8-18-24(31-25(29-18)35-20-11-34-22-19(32)10-33-23(20)22)30-21(16)14-4-2-13(3-5-14)15-6-1-12(9-28)7-17(15)27/h1-8,19-20,22-23,32H,10-11H2,(H,29,30,31)/t19-,20-,22-,23-/s2
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n/an/an/an/a 5n/an/an/an/a



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
Show InChI InChI=1/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-/s2
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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)


Article DOI: 10.1021/jm970124v
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=1/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-/s2
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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)

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
Show InChI InChI=1/C29H33ClN4O7/c30-20-13-21-27(33-28(31-21)41-23-15-39-25-22(35)14-38-26(23)25)32-24(20)18-3-1-16(2-4-18)17-5-7-19(8-6-17)40-29(36)34-9-11-37-12-10-34/h1-4,13,17,19,22-23,25-26,35H,5-12,14-15H2,(H,31,32,33)/t17-,19-,22-,23-,25?,26?/s2
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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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