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BDBM50491650 CHEMBL2387020

SMILES: CC(C)(C)c1nn(CCO)c2c1N=C(CNC2=O)c1ccc(F)cc1

InChI Key: InChIKey=WKINNFHNVQMBKZ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50491650   
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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50491650
PNG
(CHEMBL2387020)
Show SMILES CC(C)(C)c1nn(CCO)c2c1N=C(CNC2=O)c1ccc(F)cc1 |c:13|
Show InChI InChI=1S/C18H21FN4O2/c1-18(2,3)16-14-15(23(22-16)8-9-24)17(25)20-10-13(21-14)11-4-6-12(19)7-5-11/h4-7,24H,8-10H2,1-3H3,(H,20,25)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 31n/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
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50491650
PNG
(CHEMBL2387020)
Show SMILES CC(C)(C)c1nn(CCO)c2c1N=C(CNC2=O)c1ccc(F)cc1 |c:13|
Show InChI InChI=1S/C18H21FN4O2/c1-18(2,3)16-14-15(23(22-16)8-9-24)17(25)20-10-13(21-14)11-4-6-12(19)7-5-11/h4-7,24H,8-10H2,1-3H3,(H,20,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 259n/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