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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 = 'BDBM327885'   
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))
BDBM327885
PNG
(N-(4-(4- cyanophenyl)phenyl)-5- (4-(4- fluorobenzy...)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)C(=O)Nc2ccc(cc2)-c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C31H26FN5O2/c32-27-10-3-23(4-11-27)21-36-15-17-37(18-16-36)31(39)26-9-14-29(34-20-26)30(38)35-28-12-7-25(8-13-28)24-5-1-22(19-33)2-6-24/h1-14,20H,15-18,21H2,(H,35,38)
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))
BDBM327885
PNG
(N-(4-(4- cyanophenyl)phenyl)-5- (4-(4- fluorobenzy...)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)C(=O)Nc2ccc(cc2)-c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C31H26FN5O2/c32-27-10-3-23(4-11-27)21-36-15-17-37(18-16-36)31(39)26-9-14-29(34-20-26)30(38)35-28-12-7-25(8-13-28)24-5-1-22(19-33)2-6-24/h1-14,20H,15-18,21H2,(H,35,38)
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