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BDBM50140618 (R)-5-((7-benzyl-5-ethyl-2-methoxy-4-oxo-4,5,7,8-tetrahydroimidazo[2,1-e]purin-3-yl)methyl)-2-methoxybenzonitrile::5-[7-benzyl-5-ethyl-2-methoxy-4-oxo-(7R)-4,5,7,8-tetrahydro-3H-imidazo[2,1-b]purin-3-ylmethyl]-2-methoxybenzonitrile::CHEMBL24228

SMILES: CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(OC)n(Cc3ccc(OC)c(c3)C#N)c2C1=O

InChI Key: InChIKey=OKZLZFAEOLBLDC-HXUWFJFHSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50140618   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50140618
PNG
((R)-5-((7-benzyl-5-ethyl-2-methoxy-4-oxo-4,5,7,8-t...)
Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(OC)n(Cc3ccc(OC)c(c3)C#N)c2C1=O |r,t:3|
Show InChI InChI=1S/C26H26N6O3/c1-4-30-24(33)22-23(32-16-20(28-25(30)32)13-17-8-6-5-7-9-17)29-26(35-3)31(22)15-18-10-11-21(34-2)19(12-18)14-27/h5-12,20H,4,13,15-16H2,1-3H3/t20-/m1/s1
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Universidade Federal de Lavras-UFLA

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Eur J Med Chem 43: 1632-8 (2008)


Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50140618
PNG
((R)-5-((7-benzyl-5-ethyl-2-methoxy-4-oxo-4,5,7,8-t...)
Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(OC)n(Cc3ccc(OC)c(c3)C#N)c2C1=O |r,t:3|
Show InChI InChI=1S/C26H26N6O3/c1-4-30-24(33)22-23(32-16-20(28-25(30)32)13-17-8-6-5-7-9-17)29-26(35-3)31(22)15-18-10-11-21(34-2)19(12-18)14-27/h5-12,20H,4,13,15-16H2,1-3H3/t20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme


Bioorg Med Chem Lett 14: 1291-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.027
BindingDB Entry DOI: 10.7270/Q2BG2NF0
More data for this
Ligand-Target Pair