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SMILES: O=C(NC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(cn1)C(=O)Nc1ccn(Cc2ccc(cc2)C#N)n1

InChI Key: InChIKey=OWORLXKPKKUEKB-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 = 327899   
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))
BDBM327899
PNG
(N5-(1-(4-cyanobenzyl)- 1H-pyrazol-3-yl)-N2-(1- (4-...)
Show SMILES O=C(NC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(cn1)C(=O)Nc1ccn(Cc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C31H28N8O2/c32-17-22-1-5-24(6-2-22)20-38-14-11-27(12-15-38)35-31(41)28-10-9-26(19-34-28)30(40)36-29-13-16-39(37-29)21-25-7-3-23(18-33)4-8-25/h1-10,13,16,19,27H,11-12,14-15,20-21H2,(H,35,41)(H,36,37,40)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 750n/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))
BDBM327899
PNG
(N5-(1-(4-cyanobenzyl)- 1H-pyrazol-3-yl)-N2-(1- (4-...)
Show SMILES O=C(NC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(cn1)C(=O)Nc1ccn(Cc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C31H28N8O2/c32-17-22-1-5-24(6-2-22)20-38-14-11-27(12-15-38)35-31(41)28-10-9-26(19-34-28)30(40)36-29-13-16-39(37-29)21-25-7-3-23(18-33)4-8-25/h1-10,13,16,19,27H,11-12,14-15,20-21H2,(H,35,41)(H,36,37,40)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 750n/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