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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 = 'BDBM327887'   
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))
BDBM327887
PNG
(N-(4-benzoylphenyl)-5- (4-(4- fluorobenzyl)piperaz...)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)C(=O)Nc2ccc(cc2)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C31H27FN4O3/c32-26-11-6-22(7-12-26)21-35-16-18-36(19-17-35)31(39)25-10-15-28(33-20-25)30(38)34-27-13-8-24(9-14-27)29(37)23-4-2-1-3-5-23/h1-15,20H,16-19,21H2,(H,34,38)
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))
BDBM327887
PNG
(N-(4-benzoylphenyl)-5- (4-(4- fluorobenzyl)piperaz...)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)C(=O)Nc2ccc(cc2)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C31H27FN4O3/c32-26-11-6-22(7-12-26)21-35-16-18-36(19-17-35)31(39)25-10-15-28(33-20-25)30(38)34-27-13-8-24(9-14-27)29(37)23-4-2-1-3-5-23/h1-15,20H,16-19,21H2,(H,34,38)
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