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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'AMP-activated protein kinase (AMPK)'   
Target
(Institution)
LigandTarget
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
AMP-activated protein kinase (AMPK)


(Homo sapiens)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...


Citation and Details
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Ligand-Target Pair
AMP-activated protein kinase (AMPK)


(Homo sapiens)
BDBM50262685
PNG
(6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
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n/an/a 235n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...


Citation and Details
More data for this
Ligand-Target Pair
AMP-activated protein kinase (AMPK)


(Homo sapiens)
BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 1.12E+3n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...


Citation and Details
More data for this
Ligand-Target Pair
AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1


(Homo sapiens-Homo sapiens (Human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AMPK A1/B1/G1 (unknown origin) by FRET-based Z'-LYTE assay


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More data for this
Ligand-Target Pair
AMP-activated protein kinase (AMPK)


(Homo sapiens)
BDBM36356
PNG
(DMH3 | N,N-dimethyl-3-(4- (3-(quinolin-4-yl)pyrazo...)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C26H25N5O/c1-30(2)14-5-15-32-21-10-8-19(9-11-21)20-16-28-26-24(17-29-31(26)18-20)22-12-13-27-25-7-4-3-6-23(22)25/h3-4,6-13,16-18H,5,14-15H2,1-2H3
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n/an/a 1.94E+3n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...


Citation and Details
More data for this
Ligand-Target Pair
AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1


(Homo sapiens-Homo sapiens (Human))
BDBM50431028
PNG
(CHEMBL2338333)
Show SMILES CN1C\C(=C/c2ccccn2)C(=O)\C(C1)=C\c1ccccn1
Show InChI InChI=1S/C18H17N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-11H,12-13H2,1H3/b14-10+,15-11+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AMPK A1/B1/G1 (unknown origin) by FRET-based Z'-LYTE assay


Citation and Details
More data for this
Ligand-Target Pair
AMP-activated protein kinase (AMPK)


(Homo sapiens)
BDBM36355
PNG
(4-(2-(4-(3-(quinolin-4-yl)pyrazolo[1,5-a]pyrimidin...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C27H25N5O2/c1-2-4-26-24(3-1)23(9-10-28-26)25-18-30-32-19-21(17-29-27(25)32)20-5-7-22(8-6-20)34-16-13-31-11-14-33-15-12-31/h1-10,17-19H,11-16H2
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n/an/a 3.53E+3n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...


Citation and Details
More data for this
Ligand-Target Pair
AMP-activated protein kinase (AMPK)


(Homo sapiens)
BDBM5410
PNG
(4-(2-(4-(3-phenylpyrazolo[1,5- a]pyrimidin-6-yl)ph...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O2/c1-2-4-20(5-3-1)23-17-26-28-18-21(16-25-24(23)28)19-6-8-22(9-7-19)30-15-12-27-10-13-29-14-11-27/h1-9,16-18H,10-15H2
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n/an/a 8.04E+3n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...


Citation and Details
More data for this
Ligand-Target Pair
AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1


(Homo sapiens-Homo sapiens (Human))
BDBM50431026
PNG
(CHEMBL2338334)
Show SMILES CN1C[C@@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AMPK A1/B1/G1 (unknown origin) by FRET-based Z'-LYTE assay


Citation and Details
More data for this
Ligand-Target Pair
AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1


(Homo sapiens-Homo sapiens (Human))
BDBM50389320
PNG
(CHEMBL2063926)
Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1
Show InChI InChI=1S/C26H35N9S/c1-36-21-5-3-2-4-20(21)31-25-22-23(24(30-17-29-22)28-16-18-6-7-18)32-26(33-25)35-14-12-34(13-15-35)19-8-10-27-11-9-19/h2-5,17-19,27H,6-16H2,1H3,(H,28,29,30)(H,31,32,33)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutical Companies of Johnson& Johnson

Curated by ChEMBL


Assay Description
Inhibition of AMPK A1/B1/G1 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1


(Homo sapiens-Homo sapiens (Human))
BDBM50431025
PNG
(CHEMBL2338335)
Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AMPK A1/B1/G1 (unknown origin) by FRET-based Z'-LYTE assay


Citation and Details
More data for this
Ligand-Target Pair
AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1


(Homo sapiens-Homo sapiens (Human))
BDBM50431027
PNG
(CHEMBL2036343)
Show SMILES O=C1\C(CSC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H14N2OS/c20-17-13(9-15-5-1-3-7-18-15)11-21-12-14(17)10-16-6-2-4-8-19-16/h1-10H,11-12H2/b13-9+,14-10+
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n/an/a 2.60E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AMPK A1/B1/G1 (unknown origin) by FRET-based Z'-LYTE assay


Citation and Details
More data for this
Ligand-Target Pair
AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1


(Homo sapiens-Homo sapiens (Human))
BDBM50431030
PNG
(CHEMBL379849)
Show SMILES Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O
Show InChI InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+
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n/an/a 4.60E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AMPK A1/B1/G1 (unknown origin) by FRET-based Z'-LYTE assay


Citation and Details
More data for this
Ligand-Target Pair