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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 4A10' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Phosphodiesterase 4A10


(Homo sapiens (human))
BDBM86644
PNG
(BC11-38-2 | US9173884, BC11-38-2)
Show SMILES CCC(C)Sc1nc2CCSc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C16H18N2OS2/c1-3-11(2)21-16-17-13-9-10-20-14(13)15(19)18(16)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
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n/an/a 2.33E+4n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


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Ligand-Target Pair
Phosphodiesterase 4A10


(Homo sapiens (human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC
Show InChI InChI=1S/C16H18N2O2S2/c1-3-9-22-16-17-11-8-10-21-14(11)15(19)18(16)12-6-4-5-7-13(12)20-2/h4-7H,3,8-10H2,1-2H3
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n/an/a 6.00E+4n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


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More data for this
Ligand-Target Pair
Phosphodiesterase 4A10


(Homo sapiens (human))
BDBM86639
PNG
(BC11-15 | US9173884, BC11-15)
Show SMILES CCN(CC)C(=O)c1cc(nc2n(nc(C)c12)-c1ccccc1C)-c1cccs1
Show InChI InChI=1S/C23H24N4OS/c1-5-26(6-2)23(28)17-14-18(20-12-9-13-29-20)24-22-21(17)16(4)25-27(22)19-11-8-7-10-15(19)3/h7-14H,5-6H2,1-4H3
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n/an/a 7.00E+4n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


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More data for this
Ligand-Target Pair
Phosphodiesterase 4A10


(Homo sapiens (human))
BDBM86645
PNG
(BC11-38-3 | US9173884, BC11-38-3)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccc(C)cc1
Show InChI InChI=1S/C16H18N2OS2/c1-3-9-21-16-17-13-8-10-20-14(13)15(19)18(16)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4A10


(Homo sapiens (human))
BDBM86643
PNG
(BC11-38-1 | US9173884, BC11-38-1)
Show SMILES CCCCSc1nc2CCSc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C16H18N2OS2/c1-2-3-10-21-16-17-13-9-11-20-14(13)15(19)18(16)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4A10


(Homo sapiens (human))
BDBM60812
PNG
(BDBM86641 | US9173884, BC11-28)
Show SMILES Cc1ccccc1Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H19FN4/c1-17-7-5-6-10-22(17)29-24-23-21(18-8-3-2-4-9-18)15-30(25(23)28-16-27-24)20-13-11-19(26)12-14-20/h2-16H,1H3,(H,27,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4A10


(Homo sapiens (human))
BDBM60808
PNG
(BDBM86640 | US9173884, BC11-19)
Show SMILES O=c1nc2sc3ccccc3n2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C15H9N3O2S/c19-13-16-14-18(11-8-4-5-9-12(11)21-14)15(20)17(13)10-6-2-1-3-7-10/h1-9H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4A10


(Homo sapiens (human))
BDBM86642
PNG
(BC11-38 | US9173884, BC11-38)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C15H16N2OS2/c1-2-9-20-15-16-12-8-10-19-13(12)14(18)17(15)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Citation and Details
More data for this
Ligand-Target Pair