Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50002793 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 subunit beta-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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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of recombinant AMPKbeta1 in cryopreserved human hepatocytes assessed as reduction in 14C-2-acetic acid incorporation after 1 hr by scintil... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5'-AMP-activated protein kinase subunit beta-1
(Homo sapiens (Human)) | BDBM238079
(US9394285, 173)Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N(C)C Show InChI InChI=1S/C17H16ClN3O3/c1-21(2)15-5-4-9(16(20-15)24-3)10-6-11-12(17(22)23)8-19-14(11)7-13(10)18/h4-8,19H,1-3H3,(H,22,23) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of recombinant AMPKbeta1 in cryopreserved human hepatocytes assessed as reduction in 14C-2-acetic acid incorporation after 1 hr by scintil... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-AMP-activated protein kinase subunit beta-1
(Homo sapiens (Human)) | BDBM50463100
(CHEMBL4249790)Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(Cl)c(cc23)-c2ccc(cc2)C2(O)CCC2)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C25H24ClNO9/c26-16-9-17-14(8-13(16)11-2-4-12(5-3-11)25(34)6-1-7-25)15(10-27-17)23(33)36-24-20(30)18(28)19(29)21(35-24)22(31)32/h2-5,8-10,18-21,24,27-30,34H,1,6-7H2,(H,31,32)/t18-,19-,20+,21-,24-/m0/s1 | PDB
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| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of recombinant AMPKbeta1 in cryopreserved human hepatocytes assessed as reduction in 14C-2-acetic acid incorporation after 1 hr by scintil... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-AMP-activated protein kinase subunit beta-1
(Homo sapiens (Human)) | BDBM50463101
(CHEMBL4250253)Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)N(C)C |r| Show InChI InChI=1S/C23H24ClN3O9/c1-27(2)15-5-4-9(20(26-15)34-3)10-6-11-12(8-25-14(11)7-13(10)24)22(33)36-23-18(30)16(28)17(29)19(35-23)21(31)32/h4-8,16-19,23,25,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,19-,23-/m0/s1 | PDB
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| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of recombinant AMPKbeta1 in cryopreserved human hepatocytes assessed as reduction in 14C-2-acetic acid incorporation after 1 hr by scintil... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM50244667
(CHEMBL4105032)Show SMILES OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)[C@@H]3CCCCO3)c(F)c12 |r| Show InChI InChI=1S/C20H17F2NO3/c21-14-9-15-18(13(10-23-15)20(24)25)19(22)17(14)12-6-4-11(5-7-12)16-3-1-2-8-26-16/h4-7,9-10,16,23H,1-3,8H2,(H,24,25)/t16-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase subunit gamma-1
(Homo sapiens (Human)) | BDBM50244667
(CHEMBL4105032)Show SMILES OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)[C@@H]3CCCCO3)c(F)c12 |r| Show InChI InChI=1S/C20H17F2NO3/c21-14-9-15-18(13(10-23-15)20(24)25)19(22)17(14)12-6-4-11(5-7-12)16-3-1-2-8-26-16/h4-7,9-10,16,23H,1-3,8H2,(H,24,25)/t16-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta2gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase subunit gamma-1
(Homo sapiens (Human)) | BDBM238079
(US9394285, 173)Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N(C)C Show InChI InChI=1S/C17H16ClN3O3/c1-21(2)15-5-4-9(16(20-15)24-3)10-6-11-12(17(22)23)8-19-14(11)7-13(10)18/h4-8,19H,1-3H3,(H,22,23) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta2gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-AMP-activated protein kinase subunit beta-2
(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 recombinant N-terminal His-tagged human AMPKalpha2beta2gamma3 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase subunit beta-2
(Homo sapiens (Human)) | BDBM50463101
(CHEMBL4250253)Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)N(C)C |r| Show InChI InChI=1S/C23H24ClN3O9/c1-27(2)15-5-4-9(20(26-15)34-3)10-6-11-12(8-25-14(11)7-13(10)24)22(33)36-23-18(30)16(28)17(29)19(35-23)21(31)32/h4-8,16-19,23,25,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,19-,23-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta2gamma3 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
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)) | BDBM50463100
(CHEMBL4249790)Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(Cl)c(cc23)-c2ccc(cc2)C2(O)CCC2)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C25H24ClNO9/c26-16-9-17-14(8-13(16)11-2-4-12(5-3-11)25(34)6-1-7-25)15(10-27-17)23(33)36-24-20(30)18(28)19(29)21(35-24)22(31)32/h2-5,8-10,18-21,24,27-30,34H,1,6-7H2,(H,31,32)/t18-,19-,20+,21-,24-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bap-tagged human AMPKalpha1beta1gamma1 expressed in Escherichia coli BL21 cells by SPR analysis |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
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)) | BDBM238079
(US9394285, 173)Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N(C)C Show InChI InChI=1S/C17H16ClN3O3/c1-21(2)15-5-4-9(16(20-15)24-3)10-6-11-12(17(22)23)8-19-14(11)7-13(10)18/h4-8,19H,1-3H3,(H,22,23) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha1beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
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)) | BDBM50244667
(CHEMBL4105032)Show SMILES OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)[C@@H]3CCCCO3)c(F)c12 |r| Show InChI InChI=1S/C20H17F2NO3/c21-14-9-15-18(13(10-23-15)20(24)25)19(22)17(14)12-6-4-11(5-7-12)16-3-1-2-8-26-16/h4-7,9-10,16,23H,1-3,8H2,(H,24,25)/t16-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha1beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
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)) | BDBM50463101
(CHEMBL4250253)Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)N(C)C |r| Show InChI InChI=1S/C23H24ClN3O9/c1-27(2)15-5-4-9(20(26-15)34-3)10-6-11-12(8-25-14(11)7-13(10)24)22(33)36-23-18(30)16(28)17(29)19(35-23)21(31)32/h4-8,16-19,23,25,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,19-,23-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha1beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM238079
(US9394285, 173)Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N(C)C Show InChI InChI=1S/C17H16ClN3O3/c1-21(2)15-5-4-9(16(20-15)24-3)10-6-11-12(17(22)23)8-19-14(11)7-13(10)18/h4-8,19H,1-3H3,(H,22,23) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM50463100
(CHEMBL4249790)Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(Cl)c(cc23)-c2ccc(cc2)C2(O)CCC2)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C25H24ClNO9/c26-16-9-17-14(8-13(16)11-2-4-12(5-3-11)25(34)6-1-7-25)15(10-27-17)23(33)36-24-20(30)18(28)19(29)21(35-24)22(31)32/h2-5,8-10,18-21,24,27-30,34H,1,6-7H2,(H,31,32)/t18-,19-,20+,21-,24-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM50463099
(CHEMBL4246000)Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(F)c(c(F)c23)-c2ccc(cc2)[C@@H]2CCCCO2)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C26H25F2NO9/c27-14-9-15-18(19(28)17(14)12-6-4-11(5-7-12)16-3-1-2-8-36-16)13(10-29-15)25(35)38-26-22(32)20(30)21(31)23(37-26)24(33)34/h4-7,9-10,16,20-23,26,29-32H,1-3,8H2,(H,33,34)/t16-,20-,21-,22+,23-,26-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
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)) | BDBM238079
(US9394285, 173)Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N(C)C Show InChI InChI=1S/C17H16ClN3O3/c1-21(2)15-5-4-9(16(20-15)24-3)10-6-11-12(17(22)23)8-19-14(11)7-13(10)18/h4-8,19H,1-3H3,(H,22,23) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha1beta2gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-AMP-activated protein kinase 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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Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta2gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-AMP-activated protein kinase subunit gamma-1
(Homo sapiens (Human)) | BDBM50463100
(CHEMBL4249790)Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(Cl)c(cc23)-c2ccc(cc2)C2(O)CCC2)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C25H24ClNO9/c26-16-9-17-14(8-13(16)11-2-4-12(5-3-11)25(34)6-1-7-25)15(10-27-17)23(33)36-24-20(30)18(28)19(29)21(35-24)22(31)32/h2-5,8-10,18-21,24,27-30,34H,1,6-7H2,(H,31,32)/t18-,19-,20+,21-,24-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta2gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-AMP-activated protein kinase subunit gamma-1
(Homo sapiens (Human)) | BDBM50463101
(CHEMBL4250253)Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)N(C)C |r| Show InChI InChI=1S/C23H24ClN3O9/c1-27(2)15-5-4-9(20(26-15)34-3)10-6-11-12(8-25-14(11)7-13(10)24)22(33)36-23-18(30)16(28)17(29)19(35-23)21(31)32/h4-8,16-19,23,25,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,19-,23-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta2gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-AMP-activated protein kinase subunit gamma-1
(Homo sapiens (Human)) | BDBM50463099
(CHEMBL4246000)Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(F)c(c(F)c23)-c2ccc(cc2)[C@@H]2CCCCO2)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C26H25F2NO9/c27-14-9-15-18(19(28)17(14)12-6-4-11(5-7-12)16-3-1-2-8-36-16)13(10-29-15)25(35)38-26-22(32)20(30)21(31)23(37-26)24(33)34/h4-7,9-10,16,20-23,26,29-32H,1-3,8H2,(H,33,34)/t16-,20-,21-,22+,23-,26-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta2gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-AMP-activated protein kinase subunit beta-2
(Homo sapiens (Human)) | BDBM50244667
(CHEMBL4105032)Show SMILES OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)[C@@H]3CCCCO3)c(F)c12 |r| Show InChI InChI=1S/C20H17F2NO3/c21-14-9-15-18(13(10-23-15)20(24)25)19(22)17(14)12-6-4-11(5-7-12)16-3-1-2-8-26-16/h4-7,9-10,16,23H,1-3,8H2,(H,24,25)/t16-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta2gamma3 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase subunit beta-2
(Homo sapiens (Human)) | BDBM50463100
(CHEMBL4249790)Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(Cl)c(cc23)-c2ccc(cc2)C2(O)CCC2)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C25H24ClNO9/c26-16-9-17-14(8-13(16)11-2-4-12(5-3-11)25(34)6-1-7-25)15(10-27-17)23(33)36-24-20(30)18(28)19(29)21(35-24)22(31)32/h2-5,8-10,18-21,24,27-30,34H,1,6-7H2,(H,31,32)/t18-,19-,20+,21-,24-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta2gamma3 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase subunit beta-2
(Homo sapiens (Human)) | BDBM50463099
(CHEMBL4246000)Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(F)c(c(F)c23)-c2ccc(cc2)[C@@H]2CCCCO2)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C26H25F2NO9/c27-14-9-15-18(19(28)17(14)12-6-4-11(5-7-12)16-3-1-2-8-36-16)13(10-29-15)25(35)38-26-22(32)20(30)21(31)23(37-26)24(33)34/h4-7,9-10,16,20-23,26,29-32H,1-3,8H2,(H,33,34)/t16-,20-,21-,22+,23-,26-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta2gamma3 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
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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Curated by ChEMBL
| Assay Description
Binding affinity to Bap-tagged human AMPKalpha1beta1gamma1 expressed in Escherichia coli BL21 cells by SPR analysis |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
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)) | BDBM50244667
(CHEMBL4105032)Show SMILES OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)[C@@H]3CCCCO3)c(F)c12 |r| Show InChI InChI=1S/C20H17F2NO3/c21-14-9-15-18(13(10-23-15)20(24)25)19(22)17(14)12-6-4-11(5-7-12)16-3-1-2-8-26-16/h4-7,9-10,16,23H,1-3,8H2,(H,24,25)/t16-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Binding affinity to Bap-tagged human AMPKalpha1beta1gamma1 expressed in Escherichia coli BL21 cells by SPR analysis |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
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)) | BDBM50463101
(CHEMBL4250253)Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)N(C)C |r| Show InChI InChI=1S/C23H24ClN3O9/c1-27(2)15-5-4-9(20(26-15)34-3)10-6-11-12(8-25-14(11)7-13(10)24)22(33)36-23-18(30)16(28)17(29)19(35-23)21(31)32/h4-8,16-19,23,25,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,19-,23-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Binding affinity to Bap-tagged human AMPKalpha1beta1gamma1 expressed in Escherichia coli BL21 cells by SPR analysis |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
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)) | BDBM50463099
(CHEMBL4246000)Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(F)c(c(F)c23)-c2ccc(cc2)[C@@H]2CCCCO2)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C26H25F2NO9/c27-14-9-15-18(19(28)17(14)12-6-4-11(5-7-12)16-3-1-2-8-36-16)13(10-29-15)25(35)38-26-22(32)20(30)21(31)23(37-26)24(33)34/h4-7,9-10,16,20-23,26,29-32H,1-3,8H2,(H,33,34)/t16-,20-,21-,22+,23-,26-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bap-tagged human AMPKalpha1beta1gamma1 expressed in Escherichia coli BL21 cells by SPR analysis |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
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)) | BDBM238079
(US9394285, 173)Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N(C)C Show InChI InChI=1S/C17H16ClN3O3/c1-21(2)15-5-4-9(16(20-15)24-3)10-6-11-12(17(22)23)8-19-14(11)7-13(10)18/h4-8,19H,1-3H3,(H,22,23) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bap-tagged human AMPKalpha1beta1gamma1 expressed in Escherichia coli BL21 cells by SPR analysis |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
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)) | BDBM50463099
(CHEMBL4246000)Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(F)c(c(F)c23)-c2ccc(cc2)[C@@H]2CCCCO2)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C26H25F2NO9/c27-14-9-15-18(19(28)17(14)12-6-4-11(5-7-12)16-3-1-2-8-36-16)13(10-29-15)25(35)38-26-22(32)20(30)21(31)23(37-26)24(33)34/h4-7,9-10,16,20-23,26,29-32H,1-3,8H2,(H,33,34)/t16-,20-,21-,22+,23-,26-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha1beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
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)) | 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 recombinant N-terminal His-tagged human AMPKalpha1beta2gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
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)) | 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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Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha1beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-AMP-activated protein kinase catalytic subunit alpha-2/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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Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1
(Homo sapiens (Human)) | BDBM50463101
(CHEMBL4250253)Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)N(C)C |r| Show InChI InChI=1S/C23H24ClN3O9/c1-27(2)15-5-4-9(20(26-15)34-3)10-6-11-12(8-25-14(11)7-13(10)24)22(33)36-23-18(30)16(28)17(29)19(35-23)21(31)32/h4-8,16-19,23,25,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,19-,23-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
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)) | BDBM50244667
(CHEMBL4105032)Show SMILES OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)[C@@H]3CCCCO3)c(F)c12 |r| Show InChI InChI=1S/C20H17F2NO3/c21-14-9-15-18(13(10-23-15)20(24)25)19(22)17(14)12-6-4-11(5-7-12)16-3-1-2-8-26-16/h4-7,9-10,16,23H,1-3,8H2,(H,24,25)/t16-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha1beta2gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
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)) | BDBM50463100
(CHEMBL4249790)Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(Cl)c(cc23)-c2ccc(cc2)C2(O)CCC2)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C25H24ClNO9/c26-16-9-17-14(8-13(16)11-2-4-12(5-3-11)25(34)6-1-7-25)15(10-27-17)23(33)36-24-20(30)18(28)19(29)21(35-24)22(31)32/h2-5,8-10,18-21,24,27-30,34H,1,6-7H2,(H,31,32)/t18-,19-,20+,21-,24-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha1beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
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)) | BDBM50463100
(CHEMBL4249790)Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(Cl)c(cc23)-c2ccc(cc2)C2(O)CCC2)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C25H24ClNO9/c26-16-9-17-14(8-13(16)11-2-4-12(5-3-11)25(34)6-1-7-25)15(10-27-17)23(33)36-24-20(30)18(28)19(29)21(35-24)22(31)32/h2-5,8-10,18-21,24,27-30,34H,1,6-7H2,(H,31,32)/t18-,19-,20+,21-,24-/m0/s1 | PDB
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| PDB
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| n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha1beta2gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
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)) | BDBM50463101
(CHEMBL4250253)Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)N(C)C |r| Show InChI InChI=1S/C23H24ClN3O9/c1-27(2)15-5-4-9(20(26-15)34-3)10-6-11-12(8-25-14(11)7-13(10)24)22(33)36-23-18(30)16(28)17(29)19(35-23)21(31)32/h4-8,16-19,23,25,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,19-,23-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha1beta2gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
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)) | BDBM50463099
(CHEMBL4246000)Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(F)c(c(F)c23)-c2ccc(cc2)[C@@H]2CCCCO2)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C26H25F2NO9/c27-14-9-15-18(19(28)17(14)12-6-4-11(5-7-12)16-3-1-2-8-36-16)13(10-29-15)25(35)38-26-22(32)20(30)21(31)23(37-26)24(33)34/h4-7,9-10,16,20-23,26,29-32H,1-3,8H2,(H,33,34)/t16-,20-,21-,22+,23-,26-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha1beta2gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-AMP-activated protein kinase subunit beta-2
(Homo sapiens (Human)) | BDBM238079
(US9394285, 173)Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N(C)C Show InChI InChI=1S/C17H16ClN3O3/c1-21(2)15-5-4-9(16(20-15)24-3)10-6-11-12(17(22)23)8-19-14(11)7-13(10)18/h4-8,19H,1-3H3,(H,22,23) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta2gamma3 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept... |
J Med Chem 61: 7273-7288 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT |
More data for this
Ligand-Target Pair | |
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