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Compile Data Set for Download or QSAR

Found 124 hits with Last Name = 'van volkenburg' and Initial = 'm'   
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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50140541
PNG
((S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-pyrrolidi...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C12H20F2N2O/c13-12(14)6-7-16(8-12)11(17)10(15)9-4-2-1-3-5-9/h9-10H,1-8,15H2/t10-/m0/s1
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28n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50140527
PNG
((S)-2-Amino-2-cyclohexyl-1-((S)-3-fluoro-pyrrolidi...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](F)C1
Show InChI InChI=1S/C12H21FN2O/c13-10-6-7-15(8-10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2/t10-,11-/m0/s1
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56n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50172141
PNG
((S)-2-Amino-2-cyclohexyl-1-(3,4-difluoro-pyrrolidi...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC(F)C(F)C1
Show InChI InChI=1S/C12H20F2N2O/c13-9-6-16(7-10(9)14)12(17)11(15)8-4-2-1-3-5-8/h8-11H,1-7,15H2/t9?,10?,11-/m0/s1
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61n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV calculated from IC50 from standard dose inhibition curve using cheng-Prussoff equation; range=61+/...


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50172144
PNG
((S)-2-Amino-2-cyclohexyl-1-(2,3,4,5-tetrafluoro-py...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1C(F)C(F)C(F)C1F
Show InChI InChI=1S/C12H18F4N2O/c13-7-8(14)11(16)18(10(7)15)12(19)9(17)6-4-2-1-3-5-6/h6-11H,1-5,17H2/t7?,8?,9-,10?,11?/m0/s1
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81n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50172143
PNG
((S)-2-Amino-2-cyclohexyl-1-(3-fluoro-azetidin-1-yl...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC(F)C1
Show InChI InChI=1S/C11H19FN2O/c12-9-6-14(7-9)11(15)10(13)8-4-2-1-3-5-8/h8-10H,1-7,13H2/t10-/m0/s1
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109n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50172139
PNG
((S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-azetidin-...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC(F)(F)C1
Show InChI InChI=1S/C11H18F2N2O/c12-11(13)6-15(7-11)10(16)9(14)8-4-2-1-3-5-8/h8-9H,1-7,14H2/t9-/m0/s1
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117n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM12191
PNG
((2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C12H22N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h10-11H,1-9,13H2/t11-/m0/s1
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121n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50140539
PNG
((S)-2-Amino-2-cyclohexyl-1-((R)-3-fluoro-pyrrolidi...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC[C@@H](F)C1
Show InChI InChI=1S/C12H21FN2O/c13-10-6-7-15(8-10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2/t10-,11+/m1/s1
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128n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50172145
PNG
((S)-2-Amino-2-cyclohexyl-1-((3R,4R)-3,4-difluoro-p...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1C[C@@H](F)[C@H](F)C1
Show InChI InChI=1S/C12H20F2N2O/c13-9-6-16(7-10(9)14)12(17)11(15)8-4-2-1-3-5-8/h8-11H,1-7,15H2/t9-,10-,11+/m1/s1
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504n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50172140
PNG
((S)-2-Amino-2-cyclohexyl-1-((3S,4S)-3,4-difluoro-p...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1C[C@H](F)[C@@H](F)C1
Show InChI InChI=1S/C12H20F2N2O/c13-9-6-16(7-10(9)14)12(17)11(15)8-4-2-1-3-5-8/h8-11H,1-7,15H2/t9-,10-,11-/m0/s1
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1.27E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50172142
PNG
((S)-2-Amino-1-azetidin-1-yl-2-cyclohexyl-ethanone ...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC1
Show InChI InChI=1S/C11H20N2O/c12-10(9-5-2-1-3-6-9)11(14)13-7-4-8-13/h9-10H,1-8,12H2/t10-/m0/s1
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3.35E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390333
PNG
(CHEMBL2070733)
Show SMILES Nc1nc(nc2n(C[C@H]3CN(Cc4nccs4)CCO3)nnc12)C1CC1 |r|
Show InChI InChI=1S/C16H20N8OS/c17-14-13-16(20-15(19-14)10-1-2-10)24(22-21-13)8-11-7-23(4-5-25-11)9-12-18-3-6-26-12/h3,6,10-11H,1-2,4-5,7-9H2,(H2,17,19,20)/t11-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390334
PNG
(CHEMBL2070735)
Show SMILES Cc1nc(N)c2nnn(C[C@H]3CN(Cc4nccs4)CCO3)c2n1 |r|
Show InChI InChI=1S/C14H18N8OS/c1-9-17-13(15)12-14(18-9)22(20-19-12)7-10-6-21(3-4-23-10)8-11-16-2-5-24-11/h2,5,10H,3-4,6-8H2,1H3,(H2,15,17,18)/t10-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390332
PNG
(CHEMBL2070732)
Show SMILES Nc1nc(nc2n(C[C@H]3CN(Cc4ccccn4)CCO3)nnc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H17F3N8O/c17-16(18,19)15-22-13(20)12-14(23-15)27(25-24-12)9-11-8-26(5-6-28-11)7-10-3-1-2-4-21-10/h1-4,11H,5-9H2,(H2,20,22,23)/t11-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A


(Homo sapiens (Human))
BDBM50390334
PNG
(CHEMBL2070735)
Show SMILES Cc1nc(N)c2nnn(C[C@H]3CN(Cc4nccs4)CCO3)c2n1 |r|
Show InChI InChI=1S/C14H18N8OS/c1-9-17-13(15)12-14(18-9)22(20-19-12)7-10-6-21(3-4-23-10)8-11-16-2-5-24-11/h2,5,10H,3-4,6-8H2,1H3,(H2,15,17,18)/t10-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8A


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390373
PNG
(CHEMBL2070914)
Show SMILES Nc1nc(nc2n(CC3OCCc4ccccc34)nnc12)C1CC1
Show InChI InChI=1S/C17H18N6O/c18-15-14-17(20-16(19-15)11-5-6-11)23(22-21-14)9-13-12-4-2-1-3-10(12)7-8-24-13/h1-4,11,13H,5-9H2,(H2,18,19,20)
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n/an/a 3.63n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390335
PNG
(CHEMBL2070736)
Show SMILES CCc1csc(CN2CCO[C@@H](Cn3nnc4c(N)nc(C)nc34)C2)n1 |r|
Show InChI InChI=1S/C16H22N8OS/c1-3-11-9-26-13(20-11)8-23-4-5-25-12(6-23)7-24-16-14(21-22-24)15(17)18-10(2)19-16/h9,12H,3-8H2,1-2H3,(H2,17,18,19)/t12-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390366
PNG
(CHEMBL2070935)
Show SMILES CC(C)(C)c1cc(Cn2nnc3c(N)nc(nc23)C2CC2)[nH]n1
Show InChI InChI=1S/C15H20N8/c1-15(2,3)10-6-9(19-20-10)7-23-14-11(21-22-23)12(16)17-13(18-14)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,19,20)(H2,16,17,18)
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n/an/a 6.79n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390324
PNG
(CHEMBL2070604)
Show SMILES Nc1nc(nc2n(Cc3cc(n[nH]3)C3CC3)nnc12)C1CC1
Show InChI InChI=1S/C14H16N8/c15-12-11-14(17-13(16-12)8-3-4-8)22(21-20-11)6-9-5-10(19-18-9)7-1-2-7/h5,7-8H,1-4,6H2,(H,18,19)(H2,15,16,17)
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n/an/a 6.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390313
PNG
(CHEMBL2070595)
Show SMILES Nc1nc(nc2n(CC3CCCCO3)nnc12)C1CC1
Show InChI InChI=1S/C13H18N6O/c14-11-10-13(16-12(15-11)8-4-5-8)19(18-17-10)7-9-3-1-2-6-20-9/h8-9H,1-7H2,(H2,14,15,16)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390352
PNG
(CHEMBL2070901)
Show SMILES Nc1nc(CSc2ccccc2)nc2n(CC3CCCCO3)nnc12
Show InChI InChI=1S/C17H20N6OS/c18-16-15-17(23(22-21-15)10-12-6-4-5-9-24-12)20-14(19-16)11-25-13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2,(H2,18,19,20)
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n/an/a 12.1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390367
PNG
(CHEMBL2070907)
Show SMILES Cc1nc(cs1)-c1nc(N)c2nnn(CC3CCCCO3)c2n1
Show InChI InChI=1S/C14H17N7OS/c1-8-16-10(7-23-8)13-17-12(15)11-14(18-13)21(20-19-11)6-9-4-2-3-5-22-9/h7,9H,2-6H2,1H3,(H2,15,17,18)
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n/an/a 13.1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390308
PNG
(CHEMBL2070592)
Show SMILES Nc1nc(nc2n(C[C@H]3CCCO3)nnc12)C(F)(F)F |r|
Show InChI InChI=1S/C10H11F3N6O/c11-10(12,13)9-15-7(14)6-8(16-9)19(18-17-6)4-5-2-1-3-20-5/h5H,1-4H2,(H2,14,15,16)/t5-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390309
PNG
(CHEMBL2070591)
Show SMILES Nc1nc(nc2n(CC3CCCCO3)nnc12)C(F)(F)F
Show InChI InChI=1S/C11H13F3N6O/c12-11(13,14)10-16-8(15)7-9(17-10)20(19-18-7)5-6-3-1-2-4-21-6/h6H,1-5H2,(H2,15,16,17)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390371
PNG
(CHEMBL2070912)
Show SMILES Nc1nc(COc2cccc(F)c2)nc2n(CC3CCCO3)nnc12
Show InChI InChI=1S/C16H17FN6O2/c17-10-3-1-4-11(7-10)25-9-13-19-15(18)14-16(20-13)23(22-21-14)8-12-5-2-6-24-12/h1,3-4,7,12H,2,5-6,8-9H2,(H2,18,19,20)
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n/an/a 17.1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390378
PNG
(CHEMBL2070919)
Show SMILES Nc1nc(nc2n(Cc3ccc4OCCc4c3)nnc12)C1CC1
Show InChI InChI=1S/C16H16N6O/c17-14-13-16(19-15(18-14)10-2-3-10)22(21-20-13)8-9-1-4-12-11(7-9)5-6-23-12/h1,4,7,10H,2-3,5-6,8H2,(H2,17,18,19)
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n/an/a 17.1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390339
PNG
(CHEMBL2070769)
Show SMILES Nc1nc(nc2n(CC3CCCCO3)nnc12)-c1cccs1
Show InChI InChI=1S/C14H16N6OS/c15-12-11-14(17-13(16-12)10-5-3-7-22-10)20(19-18-11)8-9-4-1-2-6-21-9/h3,5,7,9H,1-2,4,6,8H2,(H2,15,16,17)
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n/an/a 17.1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390363
PNG
(CHEMBL2070932)
Show SMILES Nc1nc(nc2n(Cc3ccc4OCCOc4c3)nnc12)C1CC1
Show InChI InChI=1S/C16H16N6O2/c17-14-13-16(19-15(18-14)10-2-3-10)22(21-20-13)8-9-1-4-11-12(7-9)24-6-5-23-11/h1,4,7,10H,2-3,5-6,8H2,(H2,17,18,19)
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n/an/a 17.7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390336
PNG
(CHEMBL2070737)
Show SMILES Cc1nc(N)c2nnn(C[C@H]3CN(Cc4cc(F)cc(F)c4)CCO3)c2n1 |r|
Show InChI InChI=1S/C17H19F2N7O/c1-10-21-16(20)15-17(22-10)26(24-23-15)9-14-8-25(2-3-27-14)7-11-4-12(18)6-13(19)5-11/h4-6,14H,2-3,7-9H2,1H3,(H2,20,21,22)/t14-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390364
PNG
(CHEMBL2070933)
Show SMILES CC(C)(C)OC(=O)N1CCCCC1Cn1nnc2c(N)nc(nc12)C1CC1
Show InChI InChI=1S/C18H27N7O2/c1-18(2,3)27-17(26)24-9-5-4-6-12(24)10-25-16-13(22-23-25)14(19)20-15(21-16)11-7-8-11/h11-12H,4-10H2,1-3H3,(H2,19,20,21)
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n/an/a 21.4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390343
PNG
(CHEMBL2070773)
Show SMILES CCc1nc(N)c2nnn(CC3CCCCO3)c2n1
Show InChI InChI=1S/C12H18N6O/c1-2-9-14-11(13)10-12(15-9)18(17-16-10)7-8-5-3-4-6-19-8/h8H,2-7H2,1H3,(H2,13,14,15)
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n/an/a 21.6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390329
PNG
(CHEMBL2070729)
Show SMILES Cc1ccnc(n1)N1CCCC(Cn2nnc3c(N)nc(nc23)C2CC2)C1
Show InChI InChI=1S/C18H23N9/c1-11-6-7-20-18(21-11)26-8-2-3-12(9-26)10-27-17-14(24-25-27)15(19)22-16(23-17)13-4-5-13/h6-7,12-13H,2-5,8-10H2,1H3,(H2,19,22,23)
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n/an/a 23n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390338
PNG
(CHEMBL2070734)
Show SMILES Nc1nc(nc2n(C[C@H]3CN(Cc4ncccn4)CCO3)nnc12)C1CC1 |r|
Show InChI InChI=1S/C17H21N9O/c18-15-14-17(22-16(21-15)11-2-3-11)26(24-23-14)9-12-8-25(6-7-27-12)10-13-19-4-1-5-20-13/h1,4-5,11-12H,2-3,6-10H2,(H2,18,21,22)/t12-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390320
PNG
(CHEMBL2070600)
Show SMILES Nc1nc(nc2n(C[C@H]3CCCO3)nnc12)C1CC1 |r|
Show InChI InChI=1S/C12H16N6O/c13-10-9-12(15-11(14-10)7-3-4-7)18(17-16-9)6-8-2-1-5-19-8/h7-8H,1-6H2,(H2,13,14,15)/t8-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390375
PNG
(CHEMBL2070916)
Show SMILES Cc1ccn2cc(Cn3nnc4c(N)nc(nc34)C3CC3)nc2c1
Show InChI InChI=1S/C16H16N8/c1-9-4-5-23-7-11(18-12(23)6-9)8-24-16-13(21-22-24)14(17)19-15(20-16)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H2,17,19,20)
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n/an/a 25.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390384
PNG
(CHEMBL2070925)
Show SMILES CN1Cc2ccccc2CC1Cn1nnc2c(N)nc(nc12)C1CC1
Show InChI InChI=1S/C18H21N7/c1-24-9-13-5-3-2-4-12(13)8-14(24)10-25-18-15(22-23-25)16(19)20-17(21-18)11-6-7-11/h2-5,11,14H,6-10H2,1H3,(H2,19,20,21)
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n/an/a 31.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390379
PNG
(CHEMBL2070920)
Show SMILES CC(c1ccc2[nH]ccc2c1)n1nnc2c(N)nc(nc12)C1CC1
Show InChI InChI=1S/C17H17N7/c1-9(11-4-5-13-12(8-11)6-7-19-13)24-17-14(22-23-24)15(18)20-16(21-17)10-2-3-10/h4-10,19H,2-3H2,1H3,(H2,18,20,21)
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n/an/a 31.7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390358
PNG
(CHEMBL2070927)
Show SMILES Cc1cn2cc(Cn3nnc4c(N)nc(nc34)C3CC3)nc2s1
Show InChI InChI=1S/C14H14N8S/c1-7-4-21-5-9(16-14(21)23-7)6-22-13-10(19-20-22)11(15)17-12(18-13)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H2,15,17,18)
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n/an/a 38.8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390306
PNG
(CHEMBL2070768)
Show SMILES CCCc1nc(N)c2nnn(CC3CCCCO3)c2n1
Show InChI InChI=1S/C13H20N6O/c1-2-5-10-15-12(14)11-13(16-10)19(18-17-11)8-9-6-3-4-7-20-9/h9H,2-8H2,1H3,(H2,14,15,16)
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n/an/a 39.2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390331
PNG
(CHEMBL2070731)
Show SMILES Nc1nc(nc2n(CC3CN(Cc4ccccc4)CCO3)nnc12)C1CC1
Show InChI InChI=1S/C19H23N7O/c20-17-16-19(22-18(21-17)14-6-7-14)26(24-23-16)12-15-11-25(8-9-27-15)10-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H2,20,21,22)
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n/an/a 41n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390381
PNG
(CHEMBL2070922)
Show SMILES Nc1nc(nc2n(Cc3nc4ccccc4c(=O)[nH]3)nnc12)C1CC1
Show InChI InChI=1S/C16H14N8O/c17-13-12-15(21-14(20-13)8-5-6-8)24(23-22-12)7-11-18-10-4-2-1-3-9(10)16(25)19-11/h1-4,8H,5-7H2,(H2,17,20,21)(H,18,19,25)
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n/an/a 43.9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390312
PNG
(CHEMBL2070594)
Show SMILES Cc1nc(N)c2nnn(CC3CCCCO3)c2n1
Show InChI InChI=1S/C11H16N6O/c1-7-13-10(12)9-11(14-7)17(16-15-9)6-8-4-2-3-5-18-8/h8H,2-6H2,1H3,(H2,12,13,14)
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n/an/a 45n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390357
PNG
(CHEMBL2070926)
Show SMILES CC(Cc1cccc(C)n1)n1nnc2c(N)nc(nc12)C1CC1
Show InChI InChI=1S/C16H19N7/c1-9-4-3-5-12(18-9)8-10(2)23-16-13(21-22-23)14(17)19-15(20-16)11-6-7-11/h3-5,10-11H,6-8H2,1-2H3,(H2,17,19,20)
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n/an/a 48.4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390380
PNG
(CHEMBL2070921)
Show SMILES Nc1nc(nc2n(Cc3cnn(n3)-c3ccccc3)nnc12)C1CC1
Show InChI InChI=1S/C16H15N9/c17-14-13-16(20-15(19-14)10-6-7-10)24(23-21-13)9-11-8-18-25(22-11)12-4-2-1-3-5-12/h1-5,8,10H,6-7,9H2,(H2,17,19,20)
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n/an/a 52.4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390365
PNG
(CHEMBL2070934)
Show SMILES Cc1cccn2cc(Cn3nnc4c(N)nc(nc34)C3CC3)nc12
Show InChI InChI=1S/C16H16N8/c1-9-3-2-6-23-7-11(18-15(9)23)8-24-16-12(21-22-24)13(17)19-14(20-16)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3,(H2,17,19,20)
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n/an/a 53.8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390376
PNG
(CHEMBL2070917)
Show SMILES Nc1nc(nc2n(Cc3nnc([nH]3)-c3ccccc3)nnc12)C1CC1
Show InChI InChI=1S/C16H15N9/c17-13-12-16(20-14(19-13)10-6-7-10)25(24-22-12)8-11-18-15(23-21-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,17,19,20)(H,18,21,23)
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n/an/a 55.1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390350
PNG
(CHEMBL2070899)
Show SMILES Nc1nc(Cc2ccccc2)nc2n(CC3CCCCO3)nnc12
Show InChI InChI=1S/C17H20N6O/c18-16-15-17(20-14(19-16)10-12-6-2-1-3-7-12)23(22-21-15)11-13-8-4-5-9-24-13/h1-3,6-7,13H,4-5,8-11H2,(H2,18,19,20)
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n/an/a 61.2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390340
PNG
(CHEMBL2070770)
Show SMILES COC(=O)Cc1nc(N)c2nnn(CC3CCCCO3)c2n1
Show InChI InChI=1S/C13H18N6O3/c1-21-10(20)6-9-15-12(14)11-13(16-9)19(18-17-11)7-8-4-2-3-5-22-8/h8H,2-7H2,1H3,(H2,14,15,16)
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n/an/a 70.7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390349
PNG
(CHEMBL2070898)
Show SMILES CC(C)CCc1nc(N)c2nnn(CC3CCCCO3)c2n1
Show InChI InChI=1S/C15H24N6O/c1-10(2)6-7-12-17-14(16)13-15(18-12)21(20-19-13)9-11-5-3-4-8-22-11/h10-11H,3-9H2,1-2H3,(H2,16,17,18)
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n/an/a 72.7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))
BDBM50390382
PNG
(CHEMBL2070923)
Show SMILES C[C@@H](C1CCCCC1)n1nnc2c(N)nc(nc12)C1CC1 |r|
Show InChI InChI=1S/C15H22N6/c1-9(10-5-3-2-4-6-10)21-15-12(19-20-21)13(16)17-14(18-15)11-7-8-11/h9-11H,2-8H2,1H3,(H2,16,17,18)/t9-/m0/s1
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n/an/a 74.6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
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