Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50047886 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM50195475
(CHEMBL3393127)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc3n(C)ccc3c2)cc1C(O)=O Show InChI InChI=1S/C24H18ClN3O3/c1-13-3-5-16(10-17(13)23(29)30)31-24-26-20-11-18(19(25)12-21(20)27-24)14-4-6-22-15(9-14)7-8-28(22)2/h3-12H,1-2H3,(H,26,27)(H,29,30) | PDB
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Article
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| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full length human recombinant AMPK alpha1/beta1/gamma1 expressed in baculovirus infected sf21 cells using SAMS peptide substrate after ... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-2/subunit gamma-1
(Homo sapiens (Human)) | BDBM50195534
(CHEMBL3957286)Show SMILES [H][C@]12OC[C@@H](Oc3nc4cc(c(Cl)cc4[nH]3)-c3ccc(cc3)-c3c(O)cccc3O)[C@@]1([H])OC[C@H]2O |r| Show InChI InChI=1S/C25H21ClN2O6/c26-15-9-17-16(27-25(28-17)34-21-11-33-23-20(31)10-32-24(21)23)8-14(15)12-4-6-13(7-5-12)22-18(29)2-1-3-19(22)30/h1-9,20-21,23-24,29-31H,10-11H2,(H,27,28)/t20-,21-,23-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant AMPK alpha1/beta2/gamma1 expressed in African green monkey COS7 cells assessed as increase in biotinylated AAC (1 to ... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM50195476
(CHEMBL3938731)Show SMILES [H][C@]12OC[C@@H](Oc3nc4nc(c(Cl)cc4[nH]3)-c3ccc(cc3)-c3ccc(NS(C)(=O)=O)cc3F)[C@@]1([H])OC[C@H]2O |r| Show InChI InChI=1S/C25H22ClFN4O6S/c1-38(33,34)31-14-6-7-15(17(27)8-14)12-2-4-13(5-3-12)21-16(26)9-18-24(29-21)30-25(28-18)37-20-11-36-22-19(32)10-35-23(20)22/h2-9,19-20,22-23,31-32H,10-11H2,1H3,(H,28,29,30)/t19-,20-,22-,23-/m1/s1 | PDB
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antibodypedia
antibodypedia
antibodypedia
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| CHEMBL
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| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full length human recombinant N-terminal GST-tagged AMPK alpha1/beta1/gamma1 expressed in baculovirus infected High Five cells using NH... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM238017
(US9394285, 103)Show SMILES OC(=O)c1n[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C18H15ClN2O3/c19-14-9-15-13(16(17(22)23)21-20-15)8-12(14)10-2-4-11(5-3-10)18(24)6-1-7-18/h2-5,8-9,24H,1,6-7H2,(H,20,21)(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full length human phosphorylated His-tagged AMPK alpha1/beta1/gamma1 expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL using SAMS... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase subunit beta-1
(Homo sapiens (Human)) | BDBM50195477
(CHEMBL3979403)Show SMILES COc1cc(on1)C(O)=C1C(=O)Nc2cc(Cl)c(cc12)-c1ccc2n(C)ccc2c1 Show InChI InChI=1S/C22H16ClN3O4/c1-26-6-5-12-7-11(3-4-17(12)26)13-8-14-16(9-15(13)23)24-22(28)20(14)21(27)18-10-19(29-2)25-30-18/h3-10,27H,1-2H3,(H,24,28)/b21-20+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of recombinant human His-tagged AMPK alpha2 (2 to 552 residues)/beta1 (2 to 270 residues)/gamma2 (2 to 569 residues) expressed in baculovi... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase catalytic subunit alpha-2
(Homo sapiens (Human)) | BDBM50434272
(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- | PDB
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PC cid
PC sid
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| Article
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| n/a | n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant AMPK alpha2 expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL using SAMS peptide after 10 mins in presence of [... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM213193
(US9290517, 102)Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1F)C#N |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full length human recombinant AMPK alpha2/beta1/gamma1 expressed in baculovirus infected sf21 cells using 5'-FAM-SAMS peptide substrate... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM50195478
(CHEMBL3959081)Show SMILES Cc1ccc(Oc2nc3nc(c(Cl)cc3[nH]2)-c2ccc(cc2)N2CCCC2)cc1C(O)=O Show InChI InChI=1S/C24H21ClN4O3/c1-14-4-9-17(12-18(14)23(30)31)32-24-26-20-13-19(25)21(27-22(20)28-24)15-5-7-16(8-6-15)29-10-2-3-11-29/h4-9,12-13H,2-3,10-11H2,1H3,(H,30,31)(H,26,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full length human recombinant AMPK alpha1/beta1/gamma1 expressed in baculovirus infected sf21 cells using 5'-FAM-SAMS peptide substrate... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase subunit beta-1
(Homo sapiens (Human)) | BDBM50195479
(CHEMBL3950376)Show SMILES OC(=O)c1c[nH]c2ccc(cc12)-c1ccc(cc1)-c1c(O)cccc1O Show InChI InChI=1S/C21H15NO4/c23-18-2-1-3-19(24)20(18)13-6-4-12(5-7-13)14-8-9-17-15(10-14)16(11-22-17)21(25)26/h1-11,22-24H,(H,25,26) | PDB
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | <500 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant AMPK beta1 expressed in African green monkey COS7 cells or baculovirus infected insect cells assessed as increase in ... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM50195480
(CHEMBL3906267)Show SMILES CN(C)c1ccc(cc1)-c1cc2c(O)c(-c3cc(C)no3)c(=O)[nH]c2cc1Cl Show InChI InChI=1S/C21H18ClN3O3/c1-11-8-18(28-24-11)19-20(26)15-9-14(16(22)10-17(15)23-21(19)27)12-4-6-13(7-5-12)25(2)3/h4-10H,1-3H3,(H2,23,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
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antibodypedia
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full length human His/GST-tagged AMPK alpha1/beta1/gamma1 expressed in baculovirus expression system after 1 hr by Z'Lyte assay |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM50242401
(4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-di...)Show SMILES Oc1ccccc1-c1ccc(cc1)-c1csc2[nH]c(=O)c(C#N)c(O)c12 Show InChI InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25) | PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | 487 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for full length human N-terminal His/BAP-tagged AMPK alpha1/beta1/gamma1 expressed in Escherichia coli BL21-CodonPlus by surface pla... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM50195533
(CHEMBL1882027)Show InChI InChI=1S/C19H13N3/c1-4-8-19-14(5-1)9-10-16(22-19)12-20-17-11-15-6-2-3-7-18(15)21-13-17/h1-13H/b20-12+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant AMPK GST-tagged alpha1/Myc-tagged beta1/HA-tagged gamma1 expressed in African green monkey COS7 cells assessed as inc... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase subunit gamma-1
(Homo sapiens (Human)) | BDBM50195534
(CHEMBL3957286)Show SMILES [H][C@]12OC[C@@H](Oc3nc4cc(c(Cl)cc4[nH]3)-c3ccc(cc3)-c3c(O)cccc3O)[C@@]1([H])OC[C@H]2O |r| Show InChI InChI=1S/C25H21ClN2O6/c26-15-9-17-16(27-25(28-17)34-21-11-33-23-20(31)10-32-24(21)23)8-14(15)12-4-6-13(7-5-12)22-18(29)2-1-3-19(22)30/h1-9,20-21,23-24,29-31H,10-11H2,(H,27,28)/t20-,21-,23-,24-/m1/s1 | PDB
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant AMPK alpha2/beta2/gamma1 expressed in African green monkey COS7 cells assessed as increase in biotinylated AAC (1 to ... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM50195534
(CHEMBL3957286)Show SMILES [H][C@]12OC[C@@H](Oc3nc4cc(c(Cl)cc4[nH]3)-c3ccc(cc3)-c3c(O)cccc3O)[C@@]1([H])OC[C@H]2O |r| Show InChI InChI=1S/C25H21ClN2O6/c26-15-9-17-16(27-25(28-17)34-21-11-33-23-20(31)10-32-24(21)23)8-14(15)12-4-6-13(7-5-12)22-18(29)2-1-3-19(22)30/h1-9,20-21,23-24,29-31H,10-11H2,(H,27,28)/t20-,21-,23-,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | 27 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant AMPK alpha2/beta1/gamma1 expressed in African green monkey COS7 cells assessed as increase in biotinylated AAC (1 to ... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase subunit beta-2
(Homo sapiens (Human)) | BDBM50195534
(CHEMBL3957286)Show SMILES [H][C@]12OC[C@@H](Oc3nc4cc(c(Cl)cc4[nH]3)-c3ccc(cc3)-c3c(O)cccc3O)[C@@]1([H])OC[C@H]2O |r| Show InChI InChI=1S/C25H21ClN2O6/c26-15-9-17-16(27-25(28-17)34-21-11-33-23-20(31)10-32-24(21)23)8-14(15)12-4-6-13(7-5-12)22-18(29)2-1-3-19(22)30/h1-9,20-21,23-24,29-31H,10-11H2,(H,27,28)/t20-,21-,23-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant AMPK alpha2/beta2/gamma3 expressed in African green monkey COS7 cells assessed as increase in biotinylated AAC (1 to ... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM50195535
(CHEMBL3968290)Show SMILES CC(C)(O)c1ccc(cc1)-c1cc2nc(O[C@H]3CO[C@H](CO)[C@@H](O)C3)[nH]c2cc1Cl |r| Show InChI InChI=1S/C22H25ClN2O5/c1-22(2,28)13-5-3-12(4-6-13)15-8-17-18(9-16(15)23)25-21(24-17)30-14-7-19(27)20(10-26)29-11-14/h3-6,8-9,14,19-20,26-28H,7,10-11H2,1-2H3,(H,24,25)/t14-,19+,20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full length human recombinant AMPK alpha1/beta1/gamma1 expressed in baculovirus infected sf21 cells using 5'-FAM-SAMS peptide substrate... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM50195536
(CHEMBL3976962)Show SMILES Nc1nc(cs1)-c1ccc(cc1)-n1c(Cl)cc2[nH]c(=O)n(-c3cccc(c3)C(O)=O)c(=O)c12 Show InChI InChI=1S/C22H14ClN5O4S/c23-17-9-15-18(27(17)13-6-4-11(5-7-13)16-10-33-21(24)25-16)19(29)28(22(32)26-15)14-3-1-2-12(8-14)20(30)31/h1-10H,(H2,24,25)(H,26,32)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 631 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full length human His/GST-tagged AMPK alpha1/beta1/gamma1 expressed in baculovirus expression system after 1 hr by Z'Lyte assay |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM50195537
(CHEMBL3957427)Show SMILES Oc1ccccc1-c1ccc(cc1)-c1c(Cl)sc2[nH]c(=O)c(C#N)c(O)c12 Show InChI InChI=1S/C20H11ClN2O3S/c21-18-15(16-17(25)13(9-22)19(26)23-20(16)27-18)11-7-5-10(6-8-11)12-3-1-2-4-14(12)24/h1-8,24H,(H2,23,25,26) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for full length human N-terminal His/BAP-tagged AMPK alpha1/beta1/gamma1 expressed in Escherichia coli BL21-CodonPlus by surface pla... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM50434272
(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- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant AMPK alpha1/beta1/gamma1 expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL using SAMS peptide after 10 mins in ... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM50195538
(CHEMBL3898977)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)N2CCOCC2)cc1P(O)(O)=O Show InChI InChI=1S/C24H23ClN3O5P/c1-15-2-7-18(12-23(15)34(29,30)31)33-24-26-21-13-19(20(25)14-22(21)27-24)16-3-5-17(6-4-16)28-8-10-32-11-9-28/h2-7,12-14H,8-11H2,1H3,(H,26,27)(H2,29,30,31) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full length human recombinant AMPK alpha1/beta1/gamma1 expressed in baculovirus infected sf21 cells using SAMS peptide substrate after ... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase subunit beta-2
(Homo sapiens (Human)) | BDBM50195479
(CHEMBL3950376)Show SMILES OC(=O)c1c[nH]c2ccc(cc12)-c1ccc(cc1)-c1c(O)cccc1O Show InChI InChI=1S/C21H15NO4/c23-18-2-1-3-19(24)20(18)13-6-4-12(5-7-13)14-8-9-17-15(10-14)16(11-22-17)21(25)26/h1-11,22-24H,(H,25,26) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant AMPK beta2 expressed in African green monkey COS7 cells or baculovirus infected insect cells assessed as increase in ... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM237920
(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) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full length human phosphorylated His-tagged AMPK alpha1/beta1/gamma1 expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL using SAMS... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM50195534
(CHEMBL3957286)Show SMILES [H][C@]12OC[C@@H](Oc3nc4cc(c(Cl)cc4[nH]3)-c3ccc(cc3)-c3c(O)cccc3O)[C@@]1([H])OC[C@H]2O |r| Show InChI InChI=1S/C25H21ClN2O6/c26-15-9-17-16(27-25(28-17)34-21-11-33-23-20(31)10-32-24(21)23)8-14(15)12-4-6-13(7-5-12)22-18(29)2-1-3-19(22)30/h1-9,20-21,23-24,29-31H,10-11H2,(H,27,28)/t20-,21-,23-,24-/m1/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant AMPK alpha1/beta1/gamma1 expressed in African green monkey COS7 cells assessed as increase in biotinylated AAC (1 to ... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase catalytic subunit alpha-1
(Homo sapiens (Human)) | BDBM50434272
(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- | PDB
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| n/a | n/a | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant AMPK alpha1 (1 to 394 residues) expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL using SAMS peptide after 10 m... |
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH |
More data for this
Ligand-Target Pair | |
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