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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5'-AMP-activated protein kinase catalytic subunit alpha-2' and Ligand = 'BDBM328325'   
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
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM328325
PNG
(N-(6-(4- cyanophenoxy)pyridin- 3-yl)-6-(4-(2,4- di...)
Show SMILES Fc1ccc(C(=O)C2CCN(CC2)C(=O)c2ccc(cn2)C(=O)Nc2ccc(Oc3ccc(cc3)C#N)nc2)c(F)c1
Show InChI InChI=1S/C31H23F2N5O4/c32-22-4-8-25(26(33)15-22)29(39)20-11-13-38(14-12-20)31(41)27-9-3-21(17-35-27)30(40)37-23-5-10-28(36-18-23)42-24-6-1-19(16-34)2-7-24/h1-10,15,17-18,20H,11-14H2,(H,37,40)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<500n/an/an/an/a



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...


US Patent US10377742 (2019)


BindingDB Entry DOI: 10.7270/Q2RV0R22
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM328325
PNG
(N-(6-(4- cyanophenoxy)pyridin- 3-yl)-6-(4-(2,4- di...)
Show SMILES Fc1ccc(C(=O)C2CCN(CC2)C(=O)c2ccc(cn2)C(=O)Nc2ccc(Oc3ccc(cc3)C#N)nc2)c(F)c1
Show InChI InChI=1S/C31H23F2N5O4/c32-22-4-8-25(26(33)15-22)29(39)20-11-13-38(14-12-20)31(41)27-9-3-21(17-35-27)30(40)37-23-5-10-28(36-18-23)42-24-6-1-19(16-34)2-7-24/h1-10,15,17-18,20H,11-14H2,(H,37,40)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<500n/an/an/an/a



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...


US Patent US9663496 (2017)


BindingDB Entry DOI: 10.7270/Q26975P8
More data for this
Ligand-Target Pair