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BDBM86646 BC11-38-4::US9173884, BC11-38-4

SMILES: CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC

InChI Key: InChIKey=MXDVDZKXHJWBLR-UHFFFAOYSA-N

Data: 22 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 86646   
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
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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 9.90E+3n/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...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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 5.80E+3n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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>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...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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>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...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Phosphodiesterase 4A10


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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>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...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Phosphodiesterase 6C (PDE6C)


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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>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...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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>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...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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>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...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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>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...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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 5.80E+3n/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...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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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US Patent
n/an/a 9.90E+3n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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>1.00E+5n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
Phosphodiesterase 2A (PDE2A2)


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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>1.00E+5n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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>1.00E+5n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A Isoform 4


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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>1.00E+5n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
Phosphodiesterase 6C (PDE6C)


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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>1.00E+5n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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>1.00E+5n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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>1.00E+5n/an/an/an/an/an/a



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US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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>1.00E+5n/an/an/an/an/an/a



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US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM86646
PNG
(BC11-38-4 | US9173884, BC11-38-4)
Show SMILES CCCSc1nc2CCSc2c(=O)n1-c1ccccc1OC |(5.66,2.64,;4.32,3.41,;2.99,2.64,;1.65,3.41,;.32,2.64,;-1.01,3.41,;-2.35,2.64,;-3.81,3.12,;-4.72,1.87,;-3.81,.62,;-2.35,1.1,;-1.01,.33,;-1.01,-1.21,;.32,1.1,;1.65,.33,;2.99,1.1,;4.32,.33,;4.32,-1.21,;2.99,-1.98,;1.65,-1.21,;.32,-1.98,;.32,-3.52,)|
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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Article
PubMed
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...


Chem Biol 19: 155-63 (2012)


Article DOI: 10.1016/j.chembiol.2011.12.010
BindingDB Entry DOI: 10.7270/Q2FB51JK
More data for this
Ligand-Target Pair