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SMILES: Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)C(=O)Nc2ccn(Cc3ccc(cc3)C#N)n2)cc1

InChI Key: InChIKey=RJDFHCCYYFFSBE-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 327870   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM327870
PNG
(N-(1-(4-cyanobenzyl)- 1H-pyrazol-3-yl)-5-(4- (4- f...)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)C(=O)Nc2ccn(Cc3ccc(cc3)C#N)n2)cc1
Show InChI InChI=1S/C29H26FN7O2/c30-25-8-5-22(6-9-25)19-35-13-15-36(16-14-35)29(39)24-7-10-26(32-18-24)28(38)33-27-11-12-37(34-27)20-23-3-1-21(17-31)2-4-23/h1-12,18H,13-16,19-20H2,(H,33,34,38)
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))
BDBM327870
PNG
(N-(1-(4-cyanobenzyl)- 1H-pyrazol-3-yl)-5-(4- (4- f...)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)C(=O)Nc2ccn(Cc3ccc(cc3)C#N)n2)cc1
Show InChI InChI=1S/C29H26FN7O2/c30-25-8-5-22(6-9-25)19-35-13-15-36(16-14-35)29(39)24-7-10-26(32-18-24)28(38)33-27-11-12-37(34-27)20-23-3-1-21(17-31)2-4-23/h1-12,18H,13-16,19-20H2,(H,33,34,38)
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