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SMILES: Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(cn2)C(=O)NC2CCN(CC2)c2ccc(cc2)C#N)cc1

InChI Key: InChIKey=MHLHQNWCMLCICH-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 = 328279   
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))
BDBM328279
PNG
(N-(1-(4- cyanophenyl)piperidin- 4-yl)-6-(4-(4- flu...)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(cn2)C(=O)NC2CCN(CC2)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C30H31FN6O2/c31-25-6-1-23(2-7-25)21-35-15-17-37(18-16-35)30(39)28-10-5-24(20-33-28)29(38)34-26-11-13-36(14-12-26)27-8-3-22(19-32)4-9-27/h1-10,20,26H,11-18,21H2,(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))
BDBM328279
PNG
(N-(1-(4- cyanophenyl)piperidin- 4-yl)-6-(4-(4- flu...)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(cn2)C(=O)NC2CCN(CC2)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C30H31FN6O2/c31-25-6-1-23(2-7-25)21-35-15-17-37(18-16-35)30(39)28-10-5-24(20-33-28)29(38)34-26-11-13-36(14-12-26)27-8-3-22(19-32)4-9-27/h1-10,20,26H,11-18,21H2,(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