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BDBM50169629 9-Cyclobutyl-2-(2-ethoxy-phenyl)-1,9-dihydro-purin-6-one::CHEMBL361136

SMILES: CCOc1ccccc1-c1nc2n(cnc2c(=O)[nH]1)C1CCC1

InChI Key: InChIKey=DXOFVCUNIQMKDW-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 = 50169629   
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 1


(Homo sapiens (Human))
BDBM50169629
PNG
(9-Cyclobutyl-2-(2-ethoxy-phenyl)-1,9-dihydro-purin...)
Show SMILES CCOc1ccccc1-c1nc2n(cnc2c(=O)[nH]1)C1CCC1
Show InChI InChI=1S/C17H18N4O2/c1-2-23-13-9-4-3-8-12(13)15-19-16-14(17(22)20-15)18-10-21(16)11-6-5-7-11/h3-4,8-11H,2,5-7H2,1H3,(H,19,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.090
BindingDB Entry DOI: 10.7270/Q2XS5TWD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50169629
PNG
(9-Cyclobutyl-2-(2-ethoxy-phenyl)-1,9-dihydro-purin...)
Show SMILES CCOc1ccccc1-c1nc2n(cnc2c(=O)[nH]1)C1CCC1
Show InChI InChI=1S/C17H18N4O2/c1-2-23-13-9-4-3-8-12(13)15-19-16-14(17(22)20-15)18-10-21(16)11-6-5-7-11/h3-4,8-11H,2,5-7H2,1H3,(H,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5


Bioorg Med Chem Lett 15: 3900-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.090
BindingDB Entry DOI: 10.7270/Q2XS5TWD
More data for this
Ligand-Target Pair