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SMILES: Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1

InChI Key: InChIKey=ZCVDBEVZVHBBJC-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 = 327864   
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))
BDBM327864
PNG
(US10377742, Compound 3 | US9663496, Compound 3 | p...)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C29H31F2N5O2/c30-25-6-1-22(2-7-25)20-33-11-15-35(16-12-33)28(37)24-5-10-27(32-19-24)29(38)36-17-13-34(14-18-36)21-23-3-8-26(31)9-4-23/h1-10,19H,11-18,20-21H2
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))
BDBM327864
PNG
(US10377742, Compound 3 | US9663496, Compound 3 | p...)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C29H31F2N5O2/c30-25-6-1-22(2-7-25)20-33-11-15-35(16-12-33)28(37)24-5-10-27(32-19-24)29(38)36-17-13-34(14-18-36)21-23-3-8-26(31)9-4-23/h1-10,19H,11-18,20-21H2
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