BindingDB logo
myBDB logout

BDBM50258905 CHEMBL4084307

SMILES: CCC(NC(=O)N1CC(=O)Nc2cccnc12)c1ccc(cc1)N1CCC1

InChI Key: InChIKey=YIGNKHWIKRJNDY-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50258905   
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))
BDBM50258905
PNG
(CHEMBL4084307)
Show SMILES CCC(NC(=O)N1CC(=O)Nc2cccnc12)c1ccc(cc1)N1CCC1
Show InChI InChI=1S/C20H23N5O2/c1-2-16(14-6-8-15(9-7-14)24-11-4-12-24)23-20(27)25-13-18(26)22-17-5-3-10-21-19(17)25/h3,5-10,16H,2,4,11-13H2,1H3,(H,22,26)(H,23,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay


J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
BindingDB Entry DOI: 10.7270/Q2P271JR
More data for this
Ligand-Target Pair