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Compile Data Set for Download or QSAR

Found 4 hits of ki for UniProtKB: P51160   
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
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'/cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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25n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PDE5A (535 to 786 residues)/PDE6C expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP as su...


J Med Chem 59: 7029-65 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01813
BindingDB Entry DOI: 10.7270/Q2RX9GJ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'/cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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25n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PDE5A (535 to 786 residues)/PDE6C expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP as su...


J Med Chem 59: 7029-65 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01813
BindingDB Entry DOI: 10.7270/Q2RX9GJ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'/cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50027176
PNG
(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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8.50E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PDE5A (535 to 786 residues)/PDE6C expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP as su...


J Med Chem 59: 7029-65 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01813
BindingDB Entry DOI: 10.7270/Q2RX9GJ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'/cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50027176
PNG
(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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PubMed
8.50E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PDE5A (535 to 786 residues)/PDE6C expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP as su...


J Med Chem 59: 7029-65 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01813
BindingDB Entry DOI: 10.7270/Q2RX9GJ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)