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SMILES: COc1ccc(cc1)-c1ccc(NC(=O)c2ccc(cn2)C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1

InChI Key: InChIKey=DVMILXSBZSNOPF-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 = 327890   
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))
BDBM327890
PNG
(N-(4-(4- methoxyphenyl)phenyl)- 5-(4-(4- fluoroben...)
Show SMILES COc1ccc(cc1)-c1ccc(NC(=O)c2ccc(cn2)C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C31H29FN4O3/c1-39-28-13-6-24(7-14-28)23-4-11-27(12-5-23)34-30(37)29-15-8-25(20-33-29)31(38)36-18-16-35(17-19-36)21-22-2-9-26(32)10-3-22/h2-15,20H,16-19,21H2,1H3,(H,34,37)
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))
BDBM327890
PNG
(N-(4-(4- methoxyphenyl)phenyl)- 5-(4-(4- fluoroben...)
Show SMILES COc1ccc(cc1)-c1ccc(NC(=O)c2ccc(cn2)C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C31H29FN4O3/c1-39-28-13-6-24(7-14-28)23-4-11-27(12-5-23)34-30(37)29-15-8-25(20-33-29)31(38)36-18-16-35(17-19-36)21-22-2-9-26(32)10-3-22/h2-15,20H,16-19,21H2,1H3,(H,34,37)
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