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Compile Data Set for Download or QSAR

Found 214 hits Enz. Inhib. hit(s) with Target = '5'-AMP-activated protein kinase Complex 1' AND taxid = 9606   
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
5'-AMP-activated protein kinase Complex 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


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 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
5'-AMP-activated protein kinase Complex 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
5'-AMP-activated protein kinase Complex 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
5'-AMP-activated protein kinase Complex 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
5'-AMP-activated protein kinase Complex 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
5'-AMP-activated protein kinase Complex 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
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240767
PNG
(US9422312, 3)
Show SMILES CC(C)NS(C)(=O)=Nc1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1/C28H30ClN5O5S/c1-15(2)33-40(3,36)34-19-10-8-17(9-11-19)16-4-6-18(7-5-16)24-20(29)12-21-27(31-24)32-28(30-21)39-23-14-38-25-22(35)13-37-26(23)25/h4-12,15,22-23,25-26,35H,13-14H2,1-3H3,(H,30,31,32)(H,33,34,36)/t22-,23-,25-,26-,40?/s2
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n/an/an/an/a 94n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


US Patent US9422312 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240765
PNG
(US9422312, 1)
Show SMILES CN(C)S(C)(=O)=Nc1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1/C27H28ClN5O5S/c1-33(2)39(3,35)32-18-10-8-16(9-11-18)15-4-6-17(7-5-15)23-19(28)12-20-26(30-23)31-27(29-20)38-22-14-37-24-21(34)13-36-25(22)24/h4-12,21-22,24-25,34H,13-14H2,1-3H3,(H,29,30,31)/t21-,22-,24-,25-,39?/s2
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n/an/an/an/a 26n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


US Patent US9422312 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237920
PNG
(US9394285, 1)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1
Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)
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n/an/an/an/a 4.20n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237921
PNG
(US9394285, 2)
Show SMILES OCc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C16H12ClNO3/c17-14-6-15-12(13(7-18-15)16(20)21)5-11(14)10-3-1-9(8-19)2-4-10/h1-7,18-19H,8H2,(H,20,21)
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n/an/an/an/a 64.7n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237922
PNG
(US9394285, 3)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccccc1
Show InChI InChI=1S/C15H10ClNO2/c16-13-7-14-11(12(8-17-14)15(18)19)6-10(13)9-4-2-1-3-5-9/h1-8,17H,(H,18,19)
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n/an/an/an/a 459n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237923
PNG
(US9394285, 4)
Show SMILES OC(=O)c1c[nH]c2cc(F)c(cc12)-c1ccc(cc1)C1(O)CCC1
Show InChI InChI=1S/C19H16FNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)
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n/an/an/an/a 71n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237924
PNG
(US9394285, 5)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)COC1
Show InChI InChI=1S/C18H14ClNO4/c19-15-6-16-13(14(7-20-16)17(21)22)5-12(15)10-1-3-11(4-2-10)18(23)8-24-9-18/h1-7,20,23H,8-9H2,(H,21,22)
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n/an/an/an/a 35.7n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237925
PNG
(US9394285, 6)
Show SMILES OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)C3(O)CCC3)c(F)c12
Show InChI InChI=1S/C19H15F2NO3/c20-13-8-14-16(12(9-22-14)18(23)24)17(21)15(13)10-2-4-11(5-3-10)19(25)6-1-7-19/h2-5,8-9,22,25H,1,6-7H2,(H,23,24)
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n/an/an/an/a 17.3n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237926
PNG
(US9394285, 7)
Show SMILES OCc1ccc(cc1)-c1cc2c(c[nH]c2cc1F)C(O)=O
Show InChI InChI=1S/C16H12FNO3/c17-14-6-15-12(13(7-18-15)16(20)21)5-11(14)10-3-1-9(8-19)2-4-10/h1-7,18-19H,8H2,(H,20,21)
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n/an/an/an/a 671n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237927
PNG
(US9394285, 8)
Show SMILES CC(=O)N1CC(C1)Oc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C20H17ClN2O4/c1-11(24)23-9-14(10-23)27-13-4-2-12(3-5-13)15-6-16-17(20(25)26)8-22-19(16)7-18(15)21/h2-8,14,22H,9-10H2,1H3,(H,25,26)
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n/an/an/an/a 220n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237928
PNG
(US9394285, 9)
Show SMILES CC(=O)N1CC(COc2ccc(cc2)-c2cc3c(c[nH]c3cc2Cl)C(O)=O)C1
Show InChI InChI=1S/C21H19ClN2O4/c1-12(25)24-9-13(10-24)11-28-15-4-2-14(3-5-15)16-6-17-18(21(26)27)8-23-20(17)7-19(16)22/h2-8,13,23H,9-11H2,1H3,(H,26,27)
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n/an/an/an/a 71.2n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237929
PNG
(US9394285, 10)
Show SMILES CC(=O)NCCOc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C19H17ClN2O4/c1-11(23)21-6-7-26-13-4-2-12(3-5-13)14-8-15-16(19(24)25)10-22-18(15)9-17(14)20/h2-5,8-10,22H,6-7H2,1H3,(H,21,23)(H,24,25)
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n/an/an/an/a 69.9n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237930
PNG
(US9394285, 11)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(CC(=O)N2CCC2)cc1
Show InChI InChI=1S/C20H17ClN2O3/c21-17-10-18-15(16(11-22-18)20(25)26)9-14(17)13-4-2-12(3-5-13)8-19(24)23-6-1-7-23/h2-5,9-11,22H,1,6-8H2,(H,25,26)
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n/an/an/an/a 554n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237931
PNG
(US9394285, 12)
Show SMILES OC(=O)c1c[nH]c2cc(C#N)c(cc12)-c1ccc(cc1)C1(O)CCC1
Show InChI InChI=1S/C20H16N2O3/c21-10-13-8-18-16(17(11-22-18)19(23)24)9-15(13)12-2-4-14(5-3-12)20(25)6-1-7-20/h2-5,8-9,11,22,25H,1,6-7H2,(H,23,24)
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n/an/an/an/a 42.5n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237932
PNG
(US9394285, 13)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1F)C1(O)CCC1
Show InChI InChI=1S/C19H15ClFNO3/c20-15-8-17-13(14(9-22-17)18(23)24)7-12(15)11-3-2-10(6-16(11)21)19(25)4-1-5-19/h2-3,6-9,22,25H,1,4-5H2,(H,23,24)
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n/an/an/an/a 6.90n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237933
PNG
(US9394285, 14 | US9394285, 14A | US9394285, 14B)
Show SMILES COC(=O)N1CCC(C1)c1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1/C21H19ClN2O4/c1-28-21(27)24-7-6-14(11-24)12-2-4-13(5-3-12)15-8-16-17(20(25)26)10-23-19(16)9-18(15)22/h2-5,8-10,14,23H,6-7,11H2,1H3,(H,25,26)
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n/an/an/an/a 151n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237933
PNG
(US9394285, 14 | US9394285, 14A | US9394285, 14B)
Show SMILES COC(=O)N1CCC(C1)c1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1/C21H19ClN2O4/c1-28-21(27)24-7-6-14(11-24)12-2-4-13(5-3-12)15-8-16-17(20(25)26)10-23-19(16)9-18(15)22/h2-5,8-10,14,23H,6-7,11H2,1H3,(H,25,26)
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n/an/an/an/a 101n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237933
PNG
(US9394285, 14 | US9394285, 14A | US9394285, 14B)
Show SMILES COC(=O)N1CCC(C1)c1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1/C21H19ClN2O4/c1-28-21(27)24-7-6-14(11-24)12-2-4-13(5-3-12)15-8-16-17(20(25)26)10-23-19(16)9-18(15)22/h2-5,8-10,14,23H,6-7,11H2,1H3,(H,25,26)
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n/an/an/an/a 118n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237934
PNG
(US9394285, 15)
Show SMILES CC(=O)N1CCC(C1)c1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1/C21H19ClN2O3/c1-12(25)24-7-6-15(11-24)13-2-4-14(5-3-13)16-8-17-18(21(26)27)10-23-20(17)9-19(16)22/h2-5,8-10,15,23H,6-7,11H2,1H3,(H,26,27)
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n/an/an/an/a 632n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237935
PNG
(US9394285, 16)
Show SMILES CS(=O)(=O)N1CCC(C1)c1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1/C20H19ClN2O4S/c1-28(26,27)23-7-6-14(11-23)12-2-4-13(5-3-12)15-8-16-17(20(24)25)10-22-19(16)9-18(15)21/h2-5,8-10,14,22H,6-7,11H2,1H3,(H,24,25)
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n/an/an/an/a 412n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237936
PNG
(US9394285, 17)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1CCNC1
Show InChI InChI=1/C19H17ClN2O2/c20-17-8-18-15(16(10-22-18)19(23)24)7-14(17)12-3-1-11(2-4-12)13-5-6-21-9-13/h1-4,7-8,10,13,21-22H,5-6,9H2,(H,23,24)
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n/an/an/an/a 126n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237937
PNG
(US9394285, 18)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(OC2COC2)cc1
Show InChI InChI=1S/C18H14ClNO4/c19-16-6-17-14(15(7-20-17)18(21)22)5-13(16)10-1-3-11(4-2-10)24-12-8-23-9-12/h1-7,12,20H,8-9H2,(H,21,22)
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n/an/an/an/a 182n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237938
PNG
(US9394285, 19)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C21H21ClN2O4/c22-19-12-20-17(18(13-23-20)21(25)26)11-16(19)14-1-3-15(4-2-14)28-10-7-24-5-8-27-9-6-24/h1-4,11-13,23H,5-10H2,(H,25,26)
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n/an/an/an/a 383n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237939
PNG
(US9394285, 20)
Show SMILES OC(=O)c1c[nH]c2cc(F)c(c(F)c12)-c1ccc(cc1)C1(O)COC1
Show InChI InChI=1S/C18H13F2NO4/c19-12-5-13-15(11(6-21-13)17(22)23)16(20)14(12)9-1-3-10(4-2-9)18(24)7-25-8-18/h1-6,21,24H,7-8H2,(H,22,23)
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n/an/an/an/a 53.6n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237940
PNG
(US9394285, 21)
Show SMILES CC(C)(CO)COc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C20H20ClNO4/c1-20(2,10-23)11-26-13-5-3-12(4-6-13)14-7-15-16(19(24)25)9-22-18(15)8-17(14)21/h3-9,22-23H,10-11H2,1-2H3,(H,24,25)
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n/an/an/an/a 93.5n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237941
PNG
(US9394285, 22)
Show SMILES OCC1(CC1)c1ccc(cc1)-c1c(F)cc2[nH]cc(C(O)=O)c2c1F
Show InChI InChI=1S/C19H15F2NO3/c20-13-7-14-16(12(8-22-14)18(24)25)17(21)15(13)10-1-3-11(4-2-10)19(9-23)5-6-19/h1-4,7-8,22-23H,5-6,9H2,(H,24,25)
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n/an/an/an/a 13.7n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237942
PNG
(US9394285, 23)
Show SMILES OCC1(CC1)c1ccc(cc1)-c1cc2c(c[nH]c2cc1C#N)C(O)=O
Show InChI InChI=1S/C20H16N2O3/c21-9-13-7-18-16(17(10-22-18)19(24)25)8-15(13)12-1-3-14(4-2-12)20(11-23)5-6-20/h1-4,7-8,10,22-23H,5-6,11H2,(H,24,25)
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n/an/an/an/a 16n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237943
PNG
(US9394285, 24)
Show SMILES OCCOc1ccc(cc1)-c1c(F)cc2[nH]cc(C(O)=O)c2c1F
Show InChI InChI=1S/C17H13F2NO4/c18-12-7-13-15(11(8-20-13)17(22)23)16(19)14(12)9-1-3-10(4-2-9)24-6-5-21/h1-4,7-8,20-21H,5-6H2,(H,22,23)
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n/an/an/an/a 252n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237944
PNG
(US9394285, 25)
Show SMILES COc1cc(ccc1C1(O)CCC1)-c1cc2c(c[nH]c2cc1F)C(O)=O
Show InChI InChI=1S/C20H18FNO4/c1-26-18-7-11(3-4-15(18)20(25)5-2-6-20)12-8-13-14(19(23)24)10-22-17(13)9-16(12)21/h3-4,7-10,22,25H,2,5-6H2,1H3,(H,23,24)
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n/an/an/an/a 111n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM60975
PNG
(4,6-difluoro-5-[4-(1-hydroxy-2-methylpropan-2-yl)p...)
Show SMILES CC(C)(CO)c1ccc(cc1)-c1c(F)cc2[nH]cc(C(O)=O)c2c1F
Show InChI InChI=1S/C19H17F2NO3/c1-19(2,9-23)11-5-3-10(4-6-11)15-13(20)7-14-16(17(15)21)12(8-22-14)18(24)25/h3-8,22-23H,9H2,1-2H3,(H,24,25)
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n/an/an/an/a 125n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237946
PNG
(US9394285, 27)
Show SMILES Cc1cc2[nH]cc(C(O)=O)c2cc1-c1ccc(cc1)C1(CO)CC1
Show InChI InChI=1S/C20H19NO3/c1-12-8-18-16(17(10-21-18)19(23)24)9-15(12)13-2-4-14(5-3-13)20(11-22)6-7-20/h2-5,8-10,21-22H,6-7,11H2,1H3,(H,23,24)
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n/an/an/an/a 36.9n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237947
PNG
(US9394285, 28)
Show SMILES OCCCOc1ccc(cc1)-c1c(F)cc2[nH]cc(C(O)=O)c2c1F
Show InChI InChI=1S/C18H15F2NO4/c19-13-8-14-16(12(9-21-14)18(23)24)17(20)15(13)10-2-4-11(5-3-10)25-7-1-6-22/h2-5,8-9,21-22H,1,6-7H2,(H,23,24)
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n/an/an/an/a 1.08E+3n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237948
PNG
(US9394285, 29)
Show SMILES COc1cccc(c1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C16H12ClNO3/c1-21-10-4-2-3-9(5-10)11-6-12-13(16(19)20)8-18-15(12)7-14(11)17/h2-8,18H,1H3,(H,19,20)
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n/an/an/an/a 383n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237949
PNG
(US9394285, 30)
Show SMILES OCCCOc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C18H16ClNO4/c19-16-9-17-14(15(10-20-17)18(22)23)8-13(16)11-2-4-12(5-3-11)24-7-1-6-21/h2-5,8-10,20-21H,1,6-7H2,(H,22,23)
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n/an/an/an/a 30n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237950
PNG
(US9394285, 31)
Show SMILES CCOc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C17H14ClNO3/c1-2-22-11-5-3-10(4-6-11)12-7-13-14(17(20)21)9-19-16(13)8-15(12)18/h3-9,19H,2H2,1H3,(H,20,21)
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n/an/an/an/a 130n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237951
PNG
(US9394285, 32)
Show SMILES COc1ccc(cc1)-c1cc2c(c[nH]c2cc1C#N)C(O)=O
Show InChI InChI=1S/C17H12N2O3/c1-22-12-4-2-10(3-5-12)13-7-14-15(17(20)21)9-19-16(14)6-11(13)8-18/h2-7,9,19H,1H3,(H,20,21)
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n/an/an/an/a 570n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237952
PNG
(US9394285, 33)
Show SMILES COc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C16H12ClNO3/c1-21-10-4-2-9(3-5-10)11-6-12-13(16(19)20)8-18-15(12)7-14(11)17/h2-8,18H,1H3,(H,19,20)
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n/an/an/an/a 85.3n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237953
PNG
(US9394285, 34)
Show SMILES COc1ccc(cc1)-c1cc2c(c[nH]c2cc1F)C(O)=O
Show InChI InChI=1S/C16H12FNO3/c1-21-10-4-2-9(3-5-10)11-6-12-13(16(19)20)8-18-15(12)7-14(11)17/h2-8,18H,1H3,(H,19,20)
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n/an/an/an/a 315n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237954
PNG
(US9394285, 35)
Show SMILES Cc1cc2[nH]cc(C(O)=O)c2cc1-c1ccc(cc1)C1(O)CCC1
Show InChI InChI=1S/C20H19NO3/c1-12-9-18-16(17(11-21-18)19(22)23)10-15(12)13-3-5-14(6-4-13)20(24)7-2-8-20/h3-6,9-11,21,24H,2,7-8H2,1H3,(H,22,23)
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n/an/an/an/a 74.2n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237955
PNG
(US9394285, 36)
Show SMILES CC(C)(CO)c1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C19H18ClNO3/c1-19(2,10-22)12-5-3-11(4-6-12)13-7-14-15(18(23)24)9-21-17(14)8-16(13)20/h3-9,21-22H,10H2,1-2H3,(H,23,24)
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n/an/an/an/a 7.10n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237956
PNG
(US9394285, 37)
Show SMILES COc1ccc(cc1OC)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C17H14ClNO4/c1-22-15-4-3-9(5-16(15)23-2)10-6-11-12(17(20)21)8-19-14(11)7-13(10)18/h3-8,19H,1-2H3,(H,20,21)
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n/an/an/an/a 248n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237957
PNG
(US9394285, 38)
Show SMILES O[C@@H]1CCC[C@H]1Oc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1/C20H18ClNO4/c21-16-9-17-14(15(10-22-17)20(24)25)8-13(16)11-4-6-12(7-5-11)26-19-3-1-2-18(19)23/h4-10,18-19,22-23H,1-3H2,(H,24,25)/t18-,19-/s2
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n/an/an/an/a 106n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240766
PNG
(US9422312, 2)
Show SMILES CNS(C)(=O)=Nc1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1/C26H26ClN5O5S/c1-28-38(2,34)32-17-9-7-15(8-10-17)14-3-5-16(6-4-14)22-18(27)11-19-25(30-22)31-26(29-19)37-21-13-36-23-20(33)12-35-24(21)23/h3-11,20-21,23-24,33H,12-13H2,1-2H3,(H,28,32,34)(H,29,30,31)/t20-,21-,23-,24-,38?/s2
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AffyNet 
US Patent
n/an/an/an/a 20n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


US Patent US9422312 (2016)

More data for this
Ligand-Target Pair
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