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BDBM50111899 5-(2-Ethoxy-phenyl)-1-methyl-3-propyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one::5-(2-ethoxyphenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one::CHEMBL54079

SMILES: CCCc1nn(C)c2c1nc([nH]c2=O)-c1ccccc1OCC

InChI Key: InChIKey=MXQUEDUMKWBYHI-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50111899   
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))
BDBM50111899
PNG
(5-(2-Ethoxy-phenyl)-1-methyl-3-propyl-1,6-dihydro-...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1ccccc1OCC
Show InChI InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)
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Article
n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from human corpus cavernosum


Bioorg Med Chem Lett 6: 1819-1824 (1996)


Article DOI: 10.1016/0960-894X(96)00323-X
BindingDB Entry DOI: 10.7270/Q2G73DQW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50111899
PNG
(5-(2-Ethoxy-phenyl)-1-methyl-3-propyl-1,6-dihydro-...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1ccccc1OCC
Show InChI InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)
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n/an/a 40n/an/an/an/an/an/a



BAYER AG

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5


Bioorg Med Chem Lett 12: 865-8 (2002)


BindingDB Entry DOI: 10.7270/Q21V5D80
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50111899
PNG
(5-(2-Ethoxy-phenyl)-1-methyl-3-propyl-1,6-dihydro-...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1ccccc1OCC
Show InChI InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)
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n/an/a>500n/an/an/an/an/an/a



BAYER AG

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4


Bioorg Med Chem Lett 12: 865-8 (2002)


BindingDB Entry DOI: 10.7270/Q21V5D80
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50111899
PNG
(5-(2-Ethoxy-phenyl)-1-methyl-3-propyl-1,6-dihydro-...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1ccccc1OCC
Show InChI InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)
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n/an/a>500n/an/an/an/an/an/a



BAYER AG

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 3


Bioorg Med Chem Lett 12: 865-8 (2002)


BindingDB Entry DOI: 10.7270/Q21V5D80
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50111899
PNG
(5-(2-Ethoxy-phenyl)-1-methyl-3-propyl-1,6-dihydro-...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1ccccc1OCC
Show InChI InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from rabbit platelets


Bioorg Med Chem Lett 6: 1819-1824 (1996)


Article DOI: 10.1016/0960-894X(96)00323-X
BindingDB Entry DOI: 10.7270/Q2G73DQW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50111899
PNG
(5-(2-Ethoxy-phenyl)-1-methyl-3-propyl-1,6-dihydro-...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1ccccc1OCC
Show InChI InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)
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n/an/a 27n/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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50111899
PNG
(5-(2-Ethoxy-phenyl)-1-methyl-3-propyl-1,6-dihydro-...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1ccccc1OCC
Show InChI InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)
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n/an/a 27n/an/an/an/an/an/a



Universidade Federal de Lavras-UFLA

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem 16: 7599-606 (2008)


Article DOI: 10.1016/j.bmc.2008.07.022
BindingDB Entry DOI: 10.7270/Q2VX0HRR
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50111899
PNG
(5-(2-Ethoxy-phenyl)-1-methyl-3-propyl-1,6-dihydro-...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1ccccc1OCC
Show InChI InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 3 from rabbit platelets


Bioorg Med Chem Lett 6: 1819-1824 (1996)


Article DOI: 10.1016/0960-894X(96)00323-X
BindingDB Entry DOI: 10.7270/Q2G73DQW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B/Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C/Phosphodiesterase


(Rattus norvegicus)
BDBM50111899
PNG
(5-(2-Ethoxy-phenyl)-1-methyl-3-propyl-1,6-dihydro-...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1ccccc1OCC
Show InChI InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)
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n/an/a 790n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 1 from rat liver


Bioorg Med Chem Lett 6: 1819-1824 (1996)


Article DOI: 10.1016/0960-894X(96)00323-X
BindingDB Entry DOI: 10.7270/Q2G73DQW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
BDBM50111899
PNG
(5-(2-Ethoxy-phenyl)-1-methyl-3-propyl-1,6-dihydro-...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1ccccc1OCC
Show InChI InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)
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PubMed
n/an/a 790n/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