Found 29 hits of kd data for complexid = 14 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)) | 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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| PDB
Article
PubMed
| n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a |
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)) | 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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| PDB
Article
PubMed
| n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay |
J Med Chem 61: 2372-2383 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01641
BindingDB Entry DOI: 10.7270/Q2028TZT |
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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| PDB
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| n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human AMPK alpha1/beta1/gamma1 by SPR binding assay |
J Med Chem 59: 8068-81 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00866
BindingDB Entry DOI: 10.7270/Q2PZ5BRC |
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)) | BDBM50505541
(CHEMBL4465866)Show SMILES [H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21| Show InChI InChI=1S/C49H54BF2N7O7/c1-29-25-30(2)58-39(29)26-32-14-13-31(59(32)50(58,51)52)15-16-40(60)54-18-20-64-22-24-65-23-21-63-19-17-53-36-27-41-56-37-11-7-5-9-33(37)43-44-35(28-55-48(44)61)42-34-10-6-8-12-38(34)57(46(42)45(43)56)49(3,66-41)47(36)62-4/h5-14,25-26,36,41,47,53H,15-24,27-28H2,1-4H3,(H,54,60)(H,55,61)/t36-,41-,47-,49+/m1/s1 | PDB
UniProtKB/SwissProt
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UniChem
| Article
PubMed
| n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human full-length GST N-Terminal tagged-AMPK alpha1/N-Terminal GST tagged-AMPK beta1/N-Terminal his-tagged AMPK gamma... |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126641
BindingDB Entry DOI: 10.7270/Q2RV0S0K |
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)) | BDBM238084
(US9394285, 178 | US9394285, 179)Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1CCCCO1 | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay |
J Med Chem 61: 2372-2383 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01641
BindingDB Entry DOI: 10.7270/Q2028TZT |
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)) | 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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| Article
PubMed
| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay |
J Med Chem 61: 2372-2383 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01641
BindingDB Entry DOI: 10.7270/Q2028TZT |
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)) | 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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| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
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 | |
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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| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
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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| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay |
J Med Chem 61: 2372-2383 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01641
BindingDB Entry DOI: 10.7270/Q2028TZT |
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)) | BDBM50505542
(CHEMBL4576489)Show SMILES [H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60| Show InChI InChI=1S/C50H56BF2N7O7/c1-30-26-31(2)59-39(30)27-33-15-14-32(60(33)51(59,52)53)16-17-41(61)54-18-20-64-22-24-66-25-23-65-21-19-56(4)40-28-42-57-37-12-8-6-10-34(37)44-45-36(29-55-49(45)62)43-35-11-7-9-13-38(35)58(47(43)46(44)57)50(3,67-42)48(40)63-5/h6-15,26-27,40,42,48H,16-25,28-29H2,1-5H3,(H,54,61)(H,55,62)/t40-,42-,48-,50+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human full-length GST N-Terminal tagged-AMPK alpha1/N-Terminal GST tagged-AMPK beta1/N-Terminal his-tagged AMPK gamma... |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126641
BindingDB Entry DOI: 10.7270/Q2RV0S0K |
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)) | BDBM237925
(US9394285, 6)Show SMILES OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)C3(O)CCC3)c(F)c12 Show InChI InChI=1S/C19H15F2NO3/c20-13-8-14-16(12(9-22-14)18(23)24)17(21)15(13)10-2-4-11(5-3-10)19(25)6-1-7-19/h2-5,8-9,22,25H,1,6-7H2,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay |
J Med Chem 61: 2372-2383 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01641
BindingDB Entry DOI: 10.7270/Q2028TZT |
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
(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
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay |
J Med Chem 61: 2372-2383 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01641
BindingDB Entry DOI: 10.7270/Q2028TZT |
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
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human AMPK alpha1/beta1/gamma1 by SPR binding assay |
J Med Chem 59: 8068-81 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00866
BindingDB Entry DOI: 10.7270/Q2PZ5BRC |
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)) | BDBM237923
(US9394285, 4)Show SMILES OC(=O)c1c[nH]c2cc(F)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C19H16FNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay |
J Med Chem 61: 2372-2383 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01641
BindingDB Entry DOI: 10.7270/Q2028TZT |
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)) | BDBM237931
(US9394285, 12)Show SMILES OC(=O)c1c[nH]c2cc(C#N)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C20H16N2O3/c21-10-13-8-18-16(17(11-22-18)19(23)24)9-15(13)12-2-4-14(5-3-12)20(25)6-1-7-20/h2-5,8-9,11,22,25H,1,6-7H2,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay |
J Med Chem 61: 2372-2383 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01641
BindingDB Entry DOI: 10.7270/Q2028TZT |
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
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | n/a | 74 | 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)) | BDBM237952
(US9394285, 33)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
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human AMPK alpha1/beta1/gamma1 by SPR binding assay |
J Med Chem 59: 8068-81 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00866
BindingDB Entry DOI: 10.7270/Q2PZ5BRC |
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
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| MCE
KEGG
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM237921
(US9394285, 2)Show InChI InChI=1S/C16H12ClNO3/c17-14-6-15-12(13(7-18-15)16(20)21)5-11(14)10-3-1-9(8-19)2-4-10/h1-7,18-19H,8H2,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
| Article
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| n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human AMPK alpha1/beta1/gamma1 by SPR binding assay |
J Med Chem 59: 8068-81 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00866
BindingDB Entry DOI: 10.7270/Q2PZ5BRC |
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)) | 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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| PDB
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| n/a | n/a | n/a | 198 | n/a | n/a | n/a | n/a | n/a |
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)) | 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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| KEGG
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PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | 209 | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50244665
(CHEMBL4097332)Show InChI InChI=1S/C16H14ClN3O2/c1-20(2)15-4-3-9(7-19-15)10-5-11-12(16(21)22)8-18-14(11)6-13(10)17/h3-8,18H,1-2H3,(H,21,22) | PDB
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| n/a | n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay |
J Med Chem 61: 2372-2383 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01641
BindingDB Entry DOI: 10.7270/Q2028TZT |
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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| 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)) | 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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| n/a | n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a |
Maastricht University
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant N-terminal AVI-tagged phosphorylated AMPK alpha1beta1gamma1 expressed in Escherichia coli BL21 cells after 1 to... |
J Med Chem 59: 2879-93 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01201
BindingDB Entry DOI: 10.7270/Q26976KB |
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)) | BDBM50244669
(CHEMBL4079303)Show SMILES COc1ccc(c(OC)n1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O Show InChI InChI=1S/C16H13ClN2O4/c1-22-14-4-3-8(15(19-14)23-2)9-5-10-11(16(20)21)7-18-13(10)6-12(9)17/h3-7,18H,1-2H3,(H,20,21) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay |
J Med Chem 61: 2372-2383 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01641
BindingDB Entry DOI: 10.7270/Q2028TZT |
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)) | BDBM50244636
(CHEMBL4087189)Show InChI InChI=1S/C15H11ClN2O3/c1-21-14-3-2-8(6-18-14)9-4-10-11(15(19)20)7-17-13(10)5-12(9)16/h2-7,17H,1H3,(H,19,20) | PDB
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| n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay |
J Med Chem 61: 2372-2383 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01641
BindingDB Entry DOI: 10.7270/Q2028TZT |
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)) | BDBM60978
(6-Chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxy...)Show InChI InChI=1S/C15H11ClN2O3/c1-21-9-4-2-8(3-5-9)10-6-11-13(7-12(10)16)17-18-14(11)15(19)20/h2-7H,1H3,(H,17,18)(H,19,20) | PDB
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| n/a | n/a | n/a | 1.78E+3 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human AMPK alpha1/beta1/gamma1 by SPR binding assay |
J Med Chem 59: 8068-81 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00866
BindingDB Entry DOI: 10.7270/Q2PZ5BRC |
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)) | BDBM18137
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
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| n/a | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human AMPK alpha1/beta1/gamma1 by SPR binding assay |
J Med Chem 59: 8068-81 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00866
BindingDB Entry DOI: 10.7270/Q2PZ5BRC |
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)) | BDBM50191352
(CHEMBL3936376)Show InChI InChI=1S/C15H12N2O3/c1-20-11-5-2-9(3-6-11)10-4-7-13-12(8-10)14(15(18)19)17-16-13/h2-8H,1H3,(H,16,17)(H,18,19) | PDB
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| n/a | n/a | n/a | 9.95E+3 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human AMPK alpha1/beta1/gamma1 by SPR binding assay |
J Med Chem 59: 8068-81 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00866
BindingDB Entry DOI: 10.7270/Q2PZ5BRC |
More data for this
Ligand-Target Pair | |
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