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Compile Data Set for Download or QSAR

Found 10 hits from Boehringer Ingehleim International GmbH   
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 9A


(Homo sapiens (human))
BDBM123687
PNG
(US8741907, 3 | US9067945, 2)
Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O
Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)
PDB
MMDB

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US Patent
n/an/a 110n/an/an/an/an/an/a



Boehringer Ingehleim International GmbH

US Patent


Assay Description
The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...


US Patent US9067945 (2015)


BindingDB Entry DOI: 10.7270/Q2708052
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM123687
PNG
(US8741907, 3 | US9067945, 2)
Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O
Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)
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PC sid
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US Patent
n/an/a 720n/an/an/an/an/an/a



Boehringer Ingehleim International GmbH

US Patent


Assay Description
The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...


US Patent US9067945 (2015)


BindingDB Entry DOI: 10.7270/Q2708052
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM123687
PNG
(US8741907, 3 | US9067945, 2)
Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O
Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>4.00E+3n/an/an/an/an/an/a



Boehringer Ingehleim International GmbH

US Patent


Assay Description
The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...


US Patent US9067945 (2015)


BindingDB Entry DOI: 10.7270/Q2708052
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM123687
PNG
(US8741907, 3 | US9067945, 2)
Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O
Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)
KEGG

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PC cid
PC sid
UniChem

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US Patent
n/an/a>4.00E+3n/an/an/an/an/an/a



Boehringer Ingehleim International GmbH

US Patent


Assay Description
The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...


US Patent US9067945 (2015)


BindingDB Entry DOI: 10.7270/Q2708052
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM123687
PNG
(US8741907, 3 | US9067945, 2)
Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O
Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)
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US Patent
n/an/a>4.00E+3n/an/an/an/an/an/a



Boehringer Ingehleim International GmbH

US Patent


Assay Description
The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...


US Patent US9067945 (2015)


BindingDB Entry DOI: 10.7270/Q2708052
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM123687
PNG
(US8741907, 3 | US9067945, 2)
Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O
Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)
PDB
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US Patent
n/an/a>4.00E+3n/an/an/an/an/an/a



Boehringer Ingehleim International GmbH

US Patent


Assay Description
The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...


US Patent US9067945 (2015)


BindingDB Entry DOI: 10.7270/Q2708052
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM123687
PNG
(US8741907, 3 | US9067945, 2)
Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O
Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)
PDB
MMDB

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US Patent
n/an/a>4.00E+3n/an/an/an/an/an/a



Boehringer Ingehleim International GmbH

US Patent


Assay Description
The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...


US Patent US9067945 (2015)


BindingDB Entry DOI: 10.7270/Q2708052
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B


(Homo sapiens (human))
BDBM123687
PNG
(US8741907, 3 | US9067945, 2)
Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O
Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)
PDB
MMDB

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n/an/a>4.00E+3n/an/an/an/an/an/a



Boehringer Ingehleim International GmbH

US Patent


Assay Description
The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...


US Patent US9067945 (2015)


BindingDB Entry DOI: 10.7270/Q2708052
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM123687
PNG
(US8741907, 3 | US9067945, 2)
Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O
Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)
PDB
MMDB

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US Patent
n/an/a>4.00E+3n/an/an/an/an/an/a



Boehringer Ingehleim International GmbH

US Patent


Assay Description
The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...


US Patent US9067945 (2015)


BindingDB Entry DOI: 10.7270/Q2708052
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM123687
PNG
(US8741907, 3 | US9067945, 2)
Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O
Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)
PDB
MMDB

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US Patent
n/an/a>4.00E+3n/an/an/an/an/an/a



Boehringer Ingehleim International GmbH

US Patent


Assay Description
The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...


US Patent US9067945 (2015)


BindingDB Entry DOI: 10.7270/Q2708052
More data for this
Ligand-Target Pair