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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'AMPK alpha2/beta2/gamma3'   
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
AMPK alpha2/beta2/gamma3


(Homo sapiens)
BDBM50195534
PNG
(CHEMBL3957286)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2cc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1c(O)cccc1O
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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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 4n/an/an/an/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
AMPK alpha2/beta2/gamma3


(Homo sapiens)
BDBM50195479
PNG
(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)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a<5.00E+3n/an/an/an/a



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
AMPK alpha2/beta2/gamma3


(Homo sapiens)
BDBM237920
PNG
(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

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant human AMPK alpha2/beta2/gamma3 by using Cy5-labelled SAMS as substrate in presence of ATP by TR-FRET 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