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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 = 'BDBM328330'   
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))
BDBM328330
PNG
(N-(5-(4- cyanophenoxy)pyridin- 2-yl)-6-(4-(4- meth...)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cn1)C(=O)Nc1ccc(Oc2ccc(cc2)C#N)cn1
Show InChI InChI=1S/C32H27N5O5/c1-41-25-9-4-22(5-10-25)30(38)23-14-16-37(17-15-23)32(40)28-12-6-24(19-34-28)31(39)36-29-13-11-27(20-35-29)42-26-7-2-21(18-33)3-8-26/h2-13,19-20,23H,14-17H2,1H3,(H,35,36,39)
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))
BDBM328330
PNG
(N-(5-(4- cyanophenoxy)pyridin- 2-yl)-6-(4-(4- meth...)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cn1)C(=O)Nc1ccc(Oc2ccc(cc2)C#N)cn1
Show InChI InChI=1S/C32H27N5O5/c1-41-25-9-4-22(5-10-25)30(38)23-14-16-37(17-15-23)32(40)28-12-6-24(19-34-28)31(39)36-29-13-11-27(20-35-29)42-26-7-2-21(18-33)3-8-26/h2-13,19-20,23H,14-17H2,1H3,(H,35,36,39)
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