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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 = 'BDBM327881'   
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))
BDBM327881
PNG
(5-(4-(4- fluorobenzyl)piperazine- 1-carbonyl)-N-(4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(NC(=O)c2ccc(cn2)C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C30H26FN5O4/c31-25-8-1-21(2-9-25)20-34-15-17-35(18-16-34)30(38)24-7-14-28(32-19-24)29(37)33-26-10-3-22(4-11-26)23-5-12-27(13-6-23)36(39)40/h1-14,19H,15-18,20H2,(H,33,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/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))
BDBM327881
PNG
(5-(4-(4- fluorobenzyl)piperazine- 1-carbonyl)-N-(4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(NC(=O)c2ccc(cn2)C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C30H26FN5O4/c31-25-8-1-21(2-9-25)20-34-15-17-35(18-16-34)30(38)24-7-14-28(32-19-24)29(37)33-26-10-3-22(4-11-26)23-5-12-27(13-6-23)36(39)40/h1-14,19H,15-18,20H2,(H,33,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/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