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BDBM50491644 CHEMBL2387139

SMILES: CCC(CC)c1nn(CCCO)c2c1N=C(CNC2=O)c1ccccc1

InChI Key: InChIKey=ZVIAZPYEOAIGSB-UHFFFAOYSA-N

Data: 2 IC50

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 = 50491644   
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
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50491644
PNG
(CHEMBL2387139)
Show SMILES CCC(CC)c1nn(CCCO)c2c1N=C(CNC2=O)c1ccccc1 |c:15|
Show InChI InChI=1S/C20H26N4O2/c1-3-14(4-2)17-18-19(24(23-17)11-8-12-25)20(26)21-13-16(22-18)15-9-6-5-7-10-15/h5-7,9-10,14,25H,3-4,8,11-13H2,1-2H3,(H,21,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 (unknown origin)


Bioorg Med Chem Lett 23: 3438-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.072
BindingDB Entry DOI: 10.7270/Q2MP5665
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50491644
PNG
(CHEMBL2387139)
Show SMILES CCC(CC)c1nn(CCCO)c2c1N=C(CNC2=O)c1ccccc1 |c:15|
Show InChI InChI=1S/C20H26N4O2/c1-3-14(4-2)17-18-19(24(23-17)11-8-12-25)20(26)21-13-16(22-18)15-9-6-5-7-10-15/h5-7,9-10,14,25H,3-4,8,11-13H2,1-2H3,(H,21,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.39E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 (unknown origin)


Bioorg Med Chem Lett 23: 3438-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.072
BindingDB Entry DOI: 10.7270/Q2MP5665
More data for this
Ligand-Target Pair