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BDBM50287550 5-(2-ethoxy-5-(4-(2-hydroxyethyl)piperazin-1-ylsulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one::5-{2-Ethoxy-5-[4-(2-hydroxy-ethyl)-piperazine-1-sulfonyl]-phenyl}-1-methyl-3-propyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one::CHEMBL53538

SMILES: CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CCO)CC1

InChI Key: InChIKey=NEYKRKVLEWKOBI-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50287550   
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))
BDBM50287550
PNG
(5-(2-ethoxy-5-(4-(2-hydroxyethyl)piperazin-1-ylsul...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C23H32N6O5S/c1-4-6-18-20-21(27(3)26-18)23(31)25-22(24-20)17-15-16(7-8-19(17)34-5-2)35(32,33)29-11-9-28(10-12-29)13-14-30/h7-8,15,30H,4-6,9-14H2,1-3H3,(H,24,25,31)
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Article
n/an/a 19n/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
3D
3D Structure (docked)
Phosphodiesterase 1


(Rattus norvegicus)
BDBM50287550
PNG
(5-(2-ethoxy-5-(4-(2-hydroxyethyl)piperazin-1-ylsul...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C23H32N6O5S/c1-4-6-18-20-21(27(3)26-18)23(31)25-22(24-20)17-15-16(7-8-19(17)34-5-2)35(32,33)29-11-9-28(10-12-29)13-14-30/h7-8,15,30H,4-6,9-14H2,1-3H3,(H,24,25,31)
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Article
n/an/a 460n/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
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50287550
PNG
(5-(2-ethoxy-5-(4-(2-hydroxyethyl)piperazin-1-ylsul...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C23H32N6O5S/c1-4-6-18-20-21(27(3)26-18)23(31)25-22(24-20)17-15-16(7-8-19(17)34-5-2)35(32,33)29-11-9-28(10-12-29)13-14-30/h7-8,15,30H,4-6,9-14H2,1-3H3,(H,24,25,31)
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Article
n/an/a 6.20E+4n/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))
BDBM50287550
PNG
(5-(2-ethoxy-5-(4-(2-hydroxyethyl)piperazin-1-ylsul...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C23H32N6O5S/c1-4-6-18-20-21(27(3)26-18)23(31)25-22(24-20)17-15-16(7-8-19(17)34-5-2)35(32,33)29-11-9-28(10-12-29)13-14-30/h7-8,15,30H,4-6,9-14H2,1-3H3,(H,24,25,31)
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PubMed
n/an/a 1.90n/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
3D
3D Structure (docked)