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Found 379 hits Enz. Inhib. hit(s) with Target = '5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1'   
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-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM50536679
PNG
(CHEMBL4568087)
Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human GST and His-tagged AMPK alpha1/beta1/gamma1 expressed in baculovirus expression system by LanthaScreen as...

Bioorg Med Chem Lett 26: 4362-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.003
BindingDB Entry DOI: 10.7270/Q2NP27X5
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM50536675
PNG
(CHEMBL4569508)
Show SMILES FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C26H26F3N5O2S/c27-26(28,29)17-31-25(35)23-12-19(16-37-23)22-14-32-34-15-20(13-30-24(22)34)18-4-6-21(7-5-18)36-11-10-33-8-2-1-3-9-33/h4-7,12-16H,1-3,8-11,17H2,(H,31,35)
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Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human GST and His-tagged AMPK alpha1/beta1/gamma1 expressed in baculovirus expression system by LanthaScreen as...

Bioorg Med Chem Lett 26: 4362-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.003
BindingDB Entry DOI: 10.7270/Q2NP27X5
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM50536678
PNG
(CHEMBL4550702)
Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C17H13F3N6OS/c1-25-6-12(4-23-25)11-3-21-15-13(5-24-26(15)7-11)10-2-14(28-8-10)16(27)22-9-17(18,19)20/h2-8H,9H2,1H3,(H,22,27)
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n/an/a 26n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human GST and His-tagged AMPK alpha1/beta1/gamma1 expressed in baculovirus expression system by LanthaScreen as...

Bioorg Med Chem Lett 26: 4362-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.003
BindingDB Entry DOI: 10.7270/Q2NP27X5
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM50536681
PNG
(CHEMBL4552628)
Show SMILES Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
Show InChI InChI=1S/C18H18ClF2N5OS/c1-9-11(12-7-24-26-8-10(19)6-23-16(12)26)5-14(28-9)17(27)25-15-13(22)3-2-4-18(15,20)21/h5-8,13,15H,2-4,22H2,1H3,(H,25,27)/t13-,15-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human GST and His-tagged AMPK alpha1/beta1/gamma1 expressed in baculovirus expression system by LanthaScreen as...

Bioorg Med Chem Lett 26: 4362-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.003
BindingDB Entry DOI: 10.7270/Q2NP27X5
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM50208911
PNG
(CHEMBL3884319)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
Show InChI InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1
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n/an/a 98n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST/N-terminal His-tagged AMPK alpha1/beta1/gamma1 expressed in baculovirus expression system

Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM50524300
PNG
(LY2606368 | Prexasertib | US11564920, Example Prex...)
Show SMILES COc1cccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
Show InChI InChI=1S/C18H19N7O2/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25)
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n/an/a 102n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AMPKalpha1beta1gamma1 (unknown origin) using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay

Eur J Med Chem 173: 44-62 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.062
BindingDB Entry DOI: 10.7270/Q2H41VVK
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM50524298
PNG
(CHEMBL4577258)
Show SMILES CC(O)=O.CNc1nc(Nc2cnc(C#N)c(O[C@@H]3CCCNC3)c2)ncc1-c1cnn(C)c1 |r|
Show InChI InChI=1S/C20H23N9O.C2H4O2/c1-22-19-16(13-8-26-29(2)12-13)11-25-20(28-19)27-14-6-18(17(7-21)24-9-14)30-15-4-3-5-23-10-15;1-2(3)4/h6,8-9,11-12,15,23H,3-5,10H2,1-2H3,(H2,22,25,27,28);1H3,(H,3,4)/t15-;/m1./s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AMPKalpha1beta1gamma1 (unknown origin) using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay

Eur J Med Chem 173: 44-62 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.062
BindingDB Entry DOI: 10.7270/Q2H41VVK
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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

J Med Chem 56: 3456-66 (2013)


Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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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Emory University

Curated by ChEMBL


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

J Med Chem 56: 3456-66 (2013)


Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM50431025
PNG
(CHEMBL2338335)
Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1 |r,w:15.17|
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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Emory University

Curated by ChEMBL


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

J Med Chem 56: 3456-66 (2013)


Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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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Janssen Pharmaceutical Companies of Johnson& Johnson

Curated by ChEMBL


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

Bioorg Med Chem Lett 22: 5326-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.008
BindingDB Entry DOI: 10.7270/Q21J9BV6
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM50431026
PNG
(CHEMBL2338334)
Show SMILES CN1C[C@@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1 |r,w:15.17|
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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Emory University

Curated by ChEMBL


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

J Med Chem 56: 3456-66 (2013)


Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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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Emory University

Curated by ChEMBL


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

J Med Chem 56: 3456-66 (2013)


Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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

J Med Chem 56: 3456-66 (2013)


Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM50537742
PNG
(CHEMBL4634634 | US11179389, Compound 1-14)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1
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Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase of influenza A/PR/8/34(H1N1)

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126715
BindingDB Entry DOI: 10.7270/Q2HM5CZG
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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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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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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)
PDB

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n/an/an/an/a 125n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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)
PDB

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n/an/an/an/a 36.9n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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)
PDB

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n/an/an/an/a 1.08E+3n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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)
PDB

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n/an/an/an/a 383n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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)
PDB

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n/an/an/an/a 30n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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)
PDB

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n/an/an/an/a 130n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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)
PDB

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n/an/an/an/a 570n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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)
PDB

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n/an/an/an/a 85.3n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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)
PDB

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n/an/an/an/a 315n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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)
PDB

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n/an/an/an/a 74.2n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(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)
PDB

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n/an/an/an/a 7.10n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237957
PNG
(US9394285, 38)
Show SMILES O[C@@H]1CCC[C@H]1Oc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O |r|
PDB

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n/an/an/an/a 106n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237958
PNG
(US9394285, 39)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C22H23ClN2O4/c23-20-13-21-18(19(14-24-21)22(26)27)12-17(20)15-2-4-16(5-3-15)29-9-1-6-25-7-10-28-11-8-25/h2-5,12-14,24H,1,6-11H2,(H,26,27)
PDB

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n/an/an/an/a 11.1n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237960
PNG
(US9394285, 41)
Show SMILES Cc1cc(ccc1C1(O)CCC1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C20H18ClNO3/c1-11-7-12(3-4-16(11)20(25)5-2-6-20)13-8-14-15(19(23)24)10-22-18(14)9-17(13)21/h3-4,7-10,22,25H,2,5-6H2,1H3,(H,23,24)
PDB

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n/an/an/an/a 9.60n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237961
PNG
(US9394285, 42)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(c(F)c1)C1(O)CCC1
Show InChI InChI=1S/C19H15ClFNO3/c20-15-8-17-12(13(9-22-17)18(23)24)7-11(15)10-2-3-14(16(21)6-10)19(25)4-1-5-19/h2-3,6-9,22,25H,1,4-5H2,(H,23,24)
PDB

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n/an/an/an/a 21.8n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237963
PNG
(US9394285, 44)
Show SMILES COc1ccc(c(F)c1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C16H11ClFNO3/c1-22-8-2-3-9(14(18)4-8)10-5-11-12(16(20)21)7-19-15(11)6-13(10)17/h2-7,19H,1H3,(H,20,21)
PDB

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n/an/an/an/a 85n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237965
PNG
(US9394285, 47)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(OC[C@@H]2CCCN2)cc1 |r|
PDB

UniProtKB/SwissProt

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n/an/an/an/a 65.3n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237966
PNG
(US9394285, 48)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(OCCN2CCNCC2)cc1
Show InChI InChI=1S/C21H22ClN3O3/c22-19-12-20-17(18(13-24-20)21(26)27)11-16(19)14-1-3-15(4-2-14)28-10-9-25-7-5-23-6-8-25/h1-4,11-13,23-24H,5-10H2,(H,26,27)
PDB

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n/an/an/an/a 111n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237968
PNG
(US9394285, 51)
Show SMILES Cc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C16H12ClNO2/c1-9-2-4-10(5-3-9)11-6-12-13(16(19)20)8-18-15(12)7-14(11)17/h2-8,18H,1H3,(H,19,20)
PDB

UniProtKB/SwissProt

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n/an/an/an/a 320n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237969
PNG
(US9394285, 52)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(OCCCN2CCNCC2)cc1
Show InChI InChI=1S/C22H24ClN3O3/c23-20-13-21-18(19(14-25-21)22(27)28)12-17(20)15-2-4-16(5-3-15)29-11-1-8-26-9-6-24-7-10-26/h2-5,12-14,24-25H,1,6-11H2,(H,27,28)
PDB

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n/an/an/an/a 38.1n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237971
PNG
(US9394285, 54)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(OCCCN2CCOCC2=O)cc1
Show InChI InChI=1S/C22H21ClN2O5/c23-19-11-20-17(18(12-24-20)22(27)28)10-16(19)14-2-4-15(5-3-14)30-8-1-6-25-7-9-29-13-21(25)26/h2-5,10-12,24H,1,6-9,13H2,(H,27,28)
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n/an/an/an/a 32.5n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237973
PNG
(US9394285, 56)
Show SMILES COc1cc(ccc1C(C)(C)O)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C19H18ClNO4/c1-19(2,24)14-5-4-10(6-17(14)25-3)11-7-12-13(18(22)23)9-21-16(12)8-15(11)20/h4-9,21,24H,1-3H3,(H,22,23)
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n/an/an/an/a 334n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237974
PNG
(US9394285, 57)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc2CCOc2c1
Show InChI InChI=1S/C17H12ClNO3/c18-14-7-15-12(13(8-19-15)17(20)21)6-11(14)10-2-1-9-3-4-22-16(9)5-10/h1-2,5-8,19H,3-4H2,(H,20,21)
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n/an/an/an/a 64.5n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237976
PNG
(US9394285, 59)
Show SMILES COc1cc(ccc1OCCCO)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C19H18ClNO5/c1-25-18-7-11(3-4-17(18)26-6-2-5-22)12-8-13-14(19(23)24)10-21-16(13)9-15(12)20/h3-4,7-10,21-22H,2,5-6H2,1H3,(H,23,24)
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n/an/an/an/a 133n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237977
PNG
(US9394285, 60 | US9394285, 61)
Show SMILES COc1cc(ccc1C1(O)COC1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C19H16ClNO5/c1-25-17-4-10(2-3-14(17)19(24)8-26-9-19)11-5-12-13(18(22)23)7-21-16(12)6-15(11)20/h2-7,21,24H,8-9H2,1H3,(H,22,23)
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n/an/an/an/a 7.80n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237979
PNG
(US9394285, 62)
Show SMILES COc1cc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)C1(O)COC1
Show InChI InChI=1S/C19H16ClNO5/c1-25-17-4-10(19(24)8-26-9-19)2-3-11(17)12-5-13-14(18(22)23)7-21-16(13)6-15(12)20/h2-7,21,24H,8-9H2,1H3,(H,22,23)
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n/an/an/an/a 33.3n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237980
PNG
(US9394285, 63)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1CCN1
PDB

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n/an/an/an/a 433n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237982
PNG
(US9394285, 65)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C22H21ClN2O3/c1-13(26)25-8-6-15(7-9-25)14-2-4-16(5-3-14)17-10-18-19(22(27)28)12-24-21(18)11-20(17)23/h2-5,10-12,15,24H,6-9H2,1H3,(H,27,28)
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n/an/an/an/a 135n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237984
PNG
(US9394285, 67)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)-c1ccccc1O
Show InChI InChI=1S/C21H14ClNO3/c22-18-10-19-16(17(11-23-19)21(25)26)9-15(18)13-7-5-12(6-8-13)14-3-1-2-4-20(14)24/h1-11,23-24H,(H,25,26)
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n/an/an/an/a 2.40n/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
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