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SMILES: O=C(NC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(cn1)C(=O)N1CCC(CC1)Oc1ccc(cc1)C#N

InChI Key: InChIKey=BPMMMRKHRUQAAY-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 3 hits for monomerid = 327998   
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))
BDBM327998
PNG
(N-(1-(4- cyanobenzyl)piperidin-4- yl)-5-(4-(4- cya...)
Show SMILES O=C(NC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(cn1)C(=O)N1CCC(CC1)Oc1ccc(cc1)C#N
Show InChI InChI=1S/C32H32N6O3/c33-19-23-1-3-25(4-2-23)22-37-15-11-27(12-16-37)36-31(39)30-10-7-26(21-35-30)32(40)38-17-13-29(14-18-38)41-28-8-5-24(20-34)6-9-28/h1-10,21,27,29H,11-18,22H2,(H,36,39)
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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM327998
PNG
(N-(1-(4- cyanobenzyl)piperidin-4- yl)-5-(4-(4- cya...)
Show SMILES O=C(NC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(cn1)C(=O)N1CCC(CC1)Oc1ccc(cc1)C#N
Show InChI InChI=1S/C32H32N6O3/c33-19-23-1-3-25(4-2-23)22-37-15-11-27(12-16-37)36-31(39)30-10-7-26(21-35-30)32(40)38-17-13-29(14-18-38)41-28-8-5-24(20-34)6-9-28/h1-10,21,27,29H,11-18,22H2,(H,36,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116951
BindingDB Entry DOI: 10.7270/Q2HX1HM7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM327998
PNG
(N-(1-(4- cyanobenzyl)piperidin-4- yl)-5-(4-(4- cya...)
Show SMILES O=C(NC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(cn1)C(=O)N1CCC(CC1)Oc1ccc(cc1)C#N
Show InChI InChI=1S/C32H32N6O3/c33-19-23-1-3-25(4-2-23)22-37-15-11-27(12-16-37)36-31(39)30-10-7-26(21-35-30)32(40)38-17-13-29(14-18-38)41-28-8-5-24(20-34)6-9-28/h1-10,21,27,29H,11-18,22H2,(H,36,39)
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