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BDBM50169628 9-Cyclopentyl-2-(2-ethoxy-phenyl)-1,9-dihydro-purin-6-one::CHEMBL359944

SMILES: CCOc1ccccc1-c1nc2n(cnc2c(=O)[nH]1)C1CCCC1

InChI Key: InChIKey=QMMVRSQAVADTQB-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 = 50169628   
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))
BDBM50169628
PNG
(9-Cyclopentyl-2-(2-ethoxy-phenyl)-1,9-dihydro-puri...)
Show SMILES CCOc1ccccc1-c1nc2n(cnc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C18H20N4O2/c1-2-24-14-10-6-5-9-13(14)16-20-17-15(18(23)21-16)19-11-22(17)12-7-3-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,20,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/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))
BDBM50169628
PNG
(9-Cyclopentyl-2-(2-ethoxy-phenyl)-1,9-dihydro-puri...)
Show SMILES CCOc1ccccc1-c1nc2n(cnc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C18H20N4O2/c1-2-24-14-10-6-5-9-13(14)16-20-17-15(18(23)21-16)19-11-22(17)12-7-3-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,20,21,23)
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 50n/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