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PubMed code 24900695

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))
BDBM50434270
PNG
(CHEMBL2385952)
Show SMILES OC(=O)c1cccc(CN2C(=O)\C(=C\c3ccc(o3)-c3ccc(F)c(Cl)c3)c3ccccc23)c1
Show InChI InChI=1S/C27H17ClFNO4/c28-22-13-17(8-10-23(22)29)25-11-9-19(34-25)14-21-20-6-1-2-7-24(20)30(26(21)31)15-16-4-3-5-18(12-16)27(32)33/h1-14H,15H2,(H,32,33)/b21-14+
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n/an/an/an/a 4.80E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of recombinant AMPK alpha2beta1gamma1 (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-2/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))
BDBM50434269
PNG
(CHEMBL2386113)
Show SMILES OC(=O)c1cccc(CN2C(=O)\C(=C(/c3ccccc3)c3ccc(F)c(Cl)c3)c3ccccc23)c1
Show InChI InChI=1S/C29H19ClFNO3/c30-23-16-20(13-14-24(23)31)26(19-8-2-1-3-9-19)27-22-11-4-5-12-25(22)32(28(27)33)17-18-7-6-10-21(15-18)29(34)35/h1-16H,17H2,(H,34,35)/b27-26+
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n/an/an/an/a 5.90E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of recombinant AMPK alpha2beta1gamma1 (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-2/subunit beta-1/subunit gamma-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 3.20E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of recombinant AMPK alpha2beta1gamma1 (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))
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-2/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))
BDBM50434260
PNG
(CHEMBL2386122)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(=C(/c3ccccc3)c3ccc(Cl)cc3)c3ccccc23)nc1
Show InChI InChI=1S/C28H19ClN2O3/c29-21-13-10-19(11-14-21)25(18-6-2-1-3-7-18)26-23-8-4-5-9-24(23)31(27(26)32)17-22-15-12-20(16-30-22)28(33)34/h1-16H,17H2,(H,33,34)/b26-25+
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n/an/an/an/a 9.20E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of recombinant AMPK alpha2beta1gamma1 (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-2/subunit beta-1/subunit gamma-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 300n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of recombinant AMPK alpha2beta1gamma1 (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))
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
5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))
BDBM50434263
PNG
(CHEMBL2386119)
Show SMILES CC(C)C(=C1/C(=O)N(Cc2cccc(c2)C(O)=O)c2ccccc12)\c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClNO3/c1-16(2)23(18-10-12-20(27)13-11-18)24-21-8-3-4-9-22(21)28(25(24)29)15-17-6-5-7-19(14-17)26(30)31/h3-14,16H,15H2,1-2H3,(H,30,31)/b24-23+
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n/an/an/an/a 9.90E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of recombinant AMPK alpha2beta1gamma1 (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-2


(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 1.20E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of human AMPK alpha2 (1 to 398) 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-2/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))
BDBM50434262
PNG
(CHEMBL2386120)
Show SMILES OC(=O)c1cccc(CN2C(=O)\C(=C(/C3CCCCC3)c3ccc(Cl)cc3)c3ccccc23)c1
Show InChI InChI=1S/C29H26ClNO3/c30-23-15-13-21(14-16-23)26(20-8-2-1-3-9-20)27-24-11-4-5-12-25(24)31(28(27)32)18-19-7-6-10-22(17-19)29(33)34/h4-7,10-17,20H,1-3,8-9,18H2,(H,33,34)/b27-26+
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n/an/an/an/a 4.60E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of recombinant AMPK alpha2beta1gamma1 (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-2/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))
BDBM50434265
PNG
(CHEMBL2386117)
Show SMILES OC(=O)c1cccc(CN2C(=O)\C(=C(/c3ccccc3)c3ccccc3OC(F)(F)F)c3ccccc23)c1
Show InChI InChI=1S/C30H20F3NO4/c31-30(32,33)38-25-16-7-5-14-23(25)26(20-10-2-1-3-11-20)27-22-13-4-6-15-24(22)34(28(27)35)18-19-9-8-12-21(17-19)29(36)37/h1-17H,18H2,(H,36,37)/b27-26+
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n/an/an/an/a 7.40E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of recombinant AMPK alpha2beta1gamma1 (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-2/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))
BDBM50434267
PNG
(CHEMBL2386115)
Show SMILES OC(=O)c1cccc(CN2C(=O)\C(=C(/c3ccccc3)c3ccccc3Cl)c3ccccc23)c1
Show InChI InChI=1S/C29H20ClNO3/c30-24-15-6-4-13-22(24)26(20-10-2-1-3-11-20)27-23-14-5-7-16-25(23)31(28(27)32)18-19-9-8-12-21(17-19)29(33)34/h1-17H,18H2,(H,33,34)/b27-26+
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n/an/an/an/a 1.80E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of recombinant AMPK alpha2beta1gamma1 (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))
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-2/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))
BDBM50434259
PNG
(CHEMBL2386123)
Show SMILES CC(C)NC(=O)c1cccc(CN2C(=O)\C(=C(/c3ccccc3)c3ccc(Cl)cc3)c3ccccc23)c1
Show InChI InChI=1S/C32H27ClN2O2/c1-21(2)34-31(36)25-12-8-9-22(19-25)20-35-28-14-7-6-13-27(28)30(32(35)37)29(23-10-4-3-5-11-23)24-15-17-26(33)18-16-24/h3-19,21H,20H2,1-2H3,(H,34,36)/b30-29+
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n/an/an/an/a 4.50E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of recombinant AMPK alpha2beta1gamma1 (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-2/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))
BDBM50434261
PNG
(CHEMBL2386121)
Show SMILES CC(C)C(=C1/C(=O)N(Cc2cccc(c2)C(O)=O)c2ccccc12)\c1ccccc1
Show InChI InChI=1S/C26H23NO3/c1-17(2)23(19-10-4-3-5-11-19)24-21-13-6-7-14-22(21)27(25(24)28)16-18-9-8-12-20(15-18)26(29)30/h3-15,17H,16H2,1-2H3,(H,29,30)/b24-23+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of recombinant AMPK alpha2beta1gamma1 (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-2/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))
BDBM50434266
PNG
(CHEMBL2386116)
Show SMILES CC(C)c1ccc(cc1)C(=C1\C(=O)N(Cc2cccc(c2)C(O)=O)c2ccccc12)\c1ccccc1
Show InChI InChI=1S/C32H27NO3/c1-21(2)23-15-17-25(18-16-23)29(24-10-4-3-5-11-24)30-27-13-6-7-14-28(27)33(31(30)34)20-22-9-8-12-26(19-22)32(35)36/h3-19,21H,20H2,1-2H3,(H,35,36)/b30-29+
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n/an/an/an/a 4.00E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of recombinant AMPK alpha2beta1gamma1 (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-2/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))
BDBM50434258
PNG
(CHEMBL2386124)
Show SMILES Clc1ccc(cc1)C(=C1\C(=O)N(Cc2ccccc2)c2ccccc12)\c1ccccc1
Show InChI InChI=1S/C28H20ClNO/c29-23-17-15-22(16-18-23)26(21-11-5-2-6-12-21)27-24-13-7-8-14-25(24)30(28(27)31)19-20-9-3-1-4-10-20/h1-18H,19H2/b27-26+
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n/an/an/an/a 1.00E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of recombinant AMPK alpha2beta1gamma1 (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-2/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))
BDBM50434264
PNG
(CHEMBL2386118)
Show SMILES OC(=O)c1cccc(CN2C(=O)\C(=C(/c3ccccc3)c3cccnc3)c3ccccc23)c1
Show InChI InChI=1S/C28H20N2O3/c31-27-26(25(20-9-2-1-3-10-20)22-12-7-15-29-17-22)23-13-4-5-14-24(23)30(27)18-19-8-6-11-21(16-19)28(32)33/h1-17H,18H2,(H,32,33)/b26-25+
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n/an/an/an/a 3.20E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of recombinant AMPK alpha2beta1gamma1 (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-2/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))
BDBM50434268
PNG
(CHEMBL2386114)
Show SMILES OC(=O)c1cccc(CN2C(=O)\C(=C(/c3ccccc3)c3ccc(Cl)cc3)c3ccccc23)c1
Show InChI InChI=1S/C29H20ClNO3/c30-23-15-13-21(14-16-23)26(20-8-2-1-3-9-20)27-24-11-4-5-12-25(24)31(28(27)32)18-19-7-6-10-22(17-19)29(33)34/h1-17H,18H2,(H,33,34)/b27-26+
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Article
PubMed
n/an/an/an/a 1.20E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of recombinant AMPK alpha2beta1gamma1 (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
* indicates data uncertainty>20%