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PubMed code 19539468

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50296256
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-11-33-14-10-30-21-15-19(18-4-5-22(32-2)27-16-18)26-17-20(21)28-23(24(30)31)25-6-7-29-8-12-34-13-9-29/h4-5,15-17H,3,6-14H2,1-2H3,(H,25,28)
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Article
PubMed
n/an/a 0.0700n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4092-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.004
BindingDB Entry DOI: 10.7270/Q2ZG6S9Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50296257
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2cc(cnc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-11-33-14-10-30-20-15-19(18-4-5-21(32-2)26-16-18)17-27-22(20)28-23(24(30)31)25-6-7-29-8-12-34-13-9-29/h4-5,15-17H,3,6-14H2,1-2H3,(H,25,27,28)
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n/an/a 0.340n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4092-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.004
BindingDB Entry DOI: 10.7270/Q2ZG6S9Z
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50296253
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2cc(ccc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C25H33N5O4/c1-3-13-33-16-12-30-22-17-19(20-5-7-23(32-2)27-18-20)4-6-21(22)28-24(25(30)31)26-8-9-29-10-14-34-15-11-29/h4-7,17-18H,3,8-16H2,1-2H3,(H,26,28)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4092-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.004
BindingDB Entry DOI: 10.7270/Q2ZG6S9Z
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50296255
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2nc(cnc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H31N7O4/c1-3-11-33-14-10-30-22-20(26-16-18(27-22)17-4-5-19(32-2)25-15-17)28-21(23(30)31)24-6-7-29-8-12-34-13-9-29/h4-5,15-16H,3,6-14H2,1-2H3,(H,24,26,28)
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4092-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.004
BindingDB Entry DOI: 10.7270/Q2ZG6S9Z
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50296254
PNG
(2-(6-methoxypyridin-3-yl)-6-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2nc(ncc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H31N7O4/c1-3-11-33-14-10-30-22-18(16-26-20(28-22)17-4-5-19(32-2)25-15-17)27-21(23(30)31)24-6-7-29-8-12-34-13-9-29/h4-5,15-16H,3,6-14H2,1-2H3,(H,24,27)
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4092-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.004
BindingDB Entry DOI: 10.7270/Q2ZG6S9Z
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50296252
PNG
(6-(6-methoxypyridin-3-yl)-2-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2nc(ccc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-13-33-16-12-30-23-20(6-5-19(28-23)18-4-7-21(32-2)26-17-18)27-22(24(30)31)25-8-9-29-10-14-34-15-11-29/h4-7,17H,3,8-16H2,1-2H3,(H,25,27)
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PDB
Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4092-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.004
BindingDB Entry DOI: 10.7270/Q2ZG6S9Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%