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Articleid 3904

Compile data set for download or QSAR
Found 8 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))
BDBM93134
PNG
(PDE5 Inhibitor, 5 | PDE5 Inhibitor, 8)
Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(OC)cc3OC)n2c1=O
Show InChI InChI=1S/C23H23N3O4/c1-4-25-22(27)18-12-16-14-7-5-6-8-17(14)24-20(16)21(26(18)23(25)28)15-10-9-13(29-2)11-19(15)30-3/h5-11,21,24,27H,4,12H2,1-3H3/t21-/m1/s1
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n/an/a 360n/an/an/an/an/an/a



German University in Cairo



Assay Description
PDE activity was measured using a modification of the IMAP fluorescence polarization phosphodiesterase assay from Molecular Devices. The assay was m...


International Journal of Medicinal Chemistry 2011: 1-9 (2011)


BindingDB Entry DOI: 10.7270/Q21R6P59
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM93134
PNG
(PDE5 Inhibitor, 5 | PDE5 Inhibitor, 8)
Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(OC)cc3OC)n2c1=O
Show InChI InChI=1S/C23H23N3O4/c1-4-25-22(27)18-12-16-14-7-5-6-8-17(14)24-20(16)21(26(18)23(25)28)15-10-9-13(29-2)11-19(15)30-3/h5-11,21,24,27H,4,12H2,1-3H3/t21-/m1/s1
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n/an/a 360n/an/an/an/an/an/a



German University in Cairo



Assay Description
PDE activity was measured using a modification of the IMAP fluorescence polarization phosphodiesterase assay from Molecular Devices. The assay was m...


International Journal of Medicinal Chemistry 2011: 1-9 (2011)


BindingDB Entry DOI: 10.7270/Q21R6P59
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM93140
PNG
(PDE5 Inhibitor, 12)
Show SMILES COc1ccc([C@@H]2c3[nH]c4ccccc4c3Cc3c(O)n(c(=O)n23)C(C)(C)C)c(OC)c1
Show InChI InChI=1S/C25H27N3O4/c1-25(2,3)28-23(29)19-13-17-15-8-6-7-9-18(15)26-21(17)22(27(19)24(28)30)16-11-10-14(31-4)12-20(16)32-5/h6-12,22,26,29H,13H2,1-5H3/t22-/m1/s1
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n/an/a 550n/an/an/an/an/an/a



German University in Cairo



Assay Description
PDE activity was measured using a modification of the IMAP fluorescence polarization phosphodiesterase assay from Molecular Devices. The assay was m...


International Journal of Medicinal Chemistry 2011: 1-9 (2011)


BindingDB Entry DOI: 10.7270/Q21R6P59
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM93141
PNG
(PDE5 Inhibitor, 19)
Show SMILES COc1ccc([C@@H]2c3[nH]c4ccccc4c3Cc3c(O)n(CC=C)c(=S)n23)c(OC)c1
Show InChI InChI=1S/C24H23N3O3S/c1-4-11-26-23(28)19-13-17-15-7-5-6-8-18(15)25-21(17)22(27(19)24(26)31)16-10-9-14(29-2)12-20(16)30-3/h4-10,12,22,25,28H,1,11,13H2,2-3H3/t22-/m1/s1
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n/an/a 560n/an/an/an/an/an/a



German University in Cairo



Assay Description
PDE activity was measured using a modification of the IMAP fluorescence polarization phosphodiesterase assay from Molecular Devices. The assay was m...


International Journal of Medicinal Chemistry 2011: 1-9 (2011)


BindingDB Entry DOI: 10.7270/Q21R6P59
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM93136
PNG
(PDE5 Inhibitor, 6)
Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@H](c3ccc(OC)cc3OC)n2c1=O
Show InChI InChI=1S/C23H23N3O4/c1-4-25-22(27)18-12-16-14-7-5-6-8-17(14)24-20(16)21(26(18)23(25)28)15-10-9-13(29-2)11-19(15)30-3/h5-11,21,24,27H,4,12H2,1-3H3/t21-/m0/s1
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n/an/a 720n/an/an/an/an/an/a



German University in Cairo



Assay Description
PDE activity was measured using a modification of the IMAP fluorescence polarization phosphodiesterase assay from Molecular Devices. The assay was m...


International Journal of Medicinal Chemistry 2011: 1-9 (2011)


BindingDB Entry DOI: 10.7270/Q21R6P59
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM93137
PNG
(PDE5 Inhibitor, 9)
Show SMILES COc1ccc([C@H]2c3[nH]c4ccccc4c3Cc3c(O)n(c(=O)n23)C(C)(C)C)c(OC)c1
Show InChI InChI=1S/C25H27N3O4/c1-25(2,3)28-23(29)19-13-17-15-8-6-7-9-18(15)26-21(17)22(27(19)24(28)30)16-11-10-14(31-4)12-20(16)32-5/h6-12,22,26,29H,13H2,1-5H3/t22-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



German University in Cairo



Assay Description
PDE activity was measured using a modification of the IMAP fluorescence polarization phosphodiesterase assay from Molecular Devices. The assay was m...


International Journal of Medicinal Chemistry 2011: 1-9 (2011)


BindingDB Entry DOI: 10.7270/Q21R6P59
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM93135
PNG
(PDE5 Inhibitor, 1)
Show SMILES COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)c1ccc(OC)cc1OC
Show InChI InChI=1S/C21H22N2O4/c1-25-12-8-9-14(18(10-12)26-2)19-20-15(11-17(23-19)21(24)27-3)13-6-4-5-7-16(13)22-20/h4-10,17,19,22-23H,11H2,1-3H3/t17-,19-/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



German University in Cairo



Assay Description
PDE activity was measured using a modification of the IMAP fluorescence polarization phosphodiesterase assay from Molecular Devices. The assay was m...


International Journal of Medicinal Chemistry 2011: 1-9 (2011)


BindingDB Entry DOI: 10.7270/Q21R6P59
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM93138
PNG
(PDE5 Inhibitor, 4)
Show SMILES COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](N1)c1ccc(OC)cc1OC
Show InChI InChI=1S/C21H22N2O4/c1-25-12-8-9-14(18(10-12)26-2)19-20-15(11-17(23-19)21(24)27-3)13-6-4-5-7-16(13)22-20/h4-10,17,19,22-23H,11H2,1-3H3/t17-,19-/m0/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



German University in Cairo



Assay Description
PDE activity was measured using a modification of the IMAP fluorescence polarization phosphodiesterase assay from Molecular Devices. The assay was m...


International Journal of Medicinal Chemistry 2011: 1-9 (2011)


BindingDB Entry DOI: 10.7270/Q21R6P59
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%