BindingDB logo
myBDB logout

PDB code 6E4W

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 5 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
AMPK alpha1/beta2/gamma1

  (494/549 = 90%)
(Homo sapiens (Human))
BDBM50463099
PNG
(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
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

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a>4.00E+4n/an/an/an/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
3D Structure (crystal)
AMPK alpha2/beta1/gamma1

  (319/331 = 96%)
(Homo sapiens (Human))
BDBM50463099
PNG
(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
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

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 332n/an/an/an/a



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
3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1

  (494/549 = 90%)
(Homo sapiens (Human))
BDBM50463099
PNG
(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
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

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 59n/an/an/an/a



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
3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1

  (494/549 = 90%)
(Homo sapiens (Human))
BDBM50463099
PNG
(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
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

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 198n/an/an/an/an/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
3D Structure (crystal)
5'-AMP-activated protein kinase subunit gamma-1

  (319/331 = 96%)
(Homo sapiens (Human))
BDBM50463099
PNG
(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
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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a>4.00E+4n/an/an/an/a



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
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output