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SMILES: Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)C(=O)Nc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)cc1

InChI Key: InChIKey=RBSXAXHVCUKMIZ-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 = 327886   
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))
BDBM327886
PNG
(5-(4-(4- fluorobenzyl)piperazine- 1-carbonyl)-N-(4...)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)C(=O)Nc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C31H26F4N4O2/c32-26-10-1-21(2-11-26)20-38-15-17-39(18-16-38)30(41)24-7-14-28(36-19-24)29(40)37-27-12-5-23(6-13-27)22-3-8-25(9-4-22)31(33,34)35/h1-14,19H,15-18,20H2,(H,37,40)
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))
BDBM327886
PNG
(5-(4-(4- fluorobenzyl)piperazine- 1-carbonyl)-N-(4...)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)C(=O)Nc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C31H26F4N4O2/c32-26-10-1-21(2-11-26)20-38-15-17-39(18-16-38)30(41)24-7-14-28(36-19-24)29(40)37-27-12-5-23(6-13-27)22-3-8-25(9-4-22)31(33,34)35/h1-14,19H,15-18,20H2,(H,37,40)
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