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PubMed code 27301679

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50180268
PNG
(CHEMBL3814662)
Show SMILES O=c1c(OCCN2CCn3c2nc2ccccc32)cn(CC2CC2)nc1-c1ccnn1-c1ccccc1
Show InChI InChI=1S/C28H27N7O2/c36-27-25(37-17-16-32-14-15-34-23-9-5-4-8-22(23)30-28(32)34)19-33(18-20-10-11-20)31-26(27)24-12-13-29-35(24)21-6-2-1-3-7-21/h1-9,12-13,19-20H,10-11,14-18H2
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n/an/a 0.760n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human full length PDE10A2 expressed in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by...


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50180271
PNG
(CHEMBL3814601)
Show SMILES Cn1c(CCCOc2cn(CC3CC3)nc(-c3ccnn3-c3ccccc3)c2=O)nc2ccccc12
Show InChI InChI=1S/C28H28N6O2/c1-32-23-11-6-5-10-22(23)30-26(32)12-7-17-36-25-19-33(18-20-13-14-20)31-27(28(25)35)24-15-16-29-34(24)21-8-3-2-4-9-21/h2-6,8-11,15-16,19-20H,7,12-14,17-18H2,1H3
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n/an/a 0.810n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human full length PDE10A2 expressed in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by...


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50180269
PNG
(CHEMBL3814367)
Show SMILES Cn1c(OCCOc2cn(CC3CC3)nc(-c3ccnn3-c3ccccc3)c2=O)nc2ccccc12
Show InChI InChI=1S/C27H26N6O3/c1-31-22-10-6-5-9-21(22)29-27(31)36-16-15-35-24-18-32(17-19-11-12-19)30-25(26(24)34)23-13-14-28-33(23)20-7-3-2-4-8-20/h2-10,13-14,18-19H,11-12,15-17H2,1H3
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n/an/a 4.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human full length PDE10A2 expressed in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by...


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50180272
PNG
(CHEMBL3814223)
Show SMILES Cn1c(CCOc2cn(CC3CC3)nc(-c3ccnn3-c3ccccc3)c2=O)nc2ccccc12
Show InChI InChI=1S/C27H26N6O2/c1-31-22-10-6-5-9-21(22)29-25(31)14-16-35-24-18-32(17-19-11-12-19)30-26(27(24)34)23-13-15-28-33(23)20-7-3-2-4-8-20/h2-10,13,15,18-19H,11-12,14,16-17H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human full length PDE10A2 expressed in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by...


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50180276
PNG
(CHEMBL3814939)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)C1CC1
Show InChI InChI=1S/C17H16N4O2/c1-23-15-11-20(12-7-8-12)19-16(17(15)22)14-9-10-18-21(14)13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human full length PDE10A2 expressed in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by...


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50180275
PNG
(CHEMBL3813874)
Show SMILES COc1cn(CC2CC2)nc(-c2ccnn2-c2ccccc2)c1=O
Show InChI InChI=1S/C18H18N4O2/c1-24-16-12-21(11-13-7-8-13)20-17(18(16)23)15-9-10-19-22(15)14-5-3-2-4-6-14/h2-6,9-10,12-13H,7-8,11H2,1H3
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n/an/a 170n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human full length PDE10A2 expressed in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by...


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50180273
PNG
(CHEMBL3815042)
Show SMILES COc1cn(CC(F)(F)F)nc(-c2ccnn2-c2ccccc2)c1=O
Show InChI InChI=1S/C16H13F3N4O2/c1-25-13-9-22(10-16(17,18)19)21-14(15(13)24)12-7-8-20-23(12)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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n/an/a 550n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human full length PDE10A2 expressed in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by...


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50180270
PNG
(CHEMBL3815110)
Show SMILES Cn1c(CCCCOc2cn(CC3CC3)nc(-c3ccnn3-c3ccccc3)c2=O)nc2ccccc12
Show InChI InChI=1S/C29H30N6O2/c1-33-24-12-6-5-11-23(24)31-27(33)13-7-8-18-37-26-20-34(19-21-14-15-21)32-28(29(26)36)25-16-17-30-35(25)22-9-3-2-4-10-22/h2-6,9-12,16-17,20-21H,7-8,13-15,18-19H2,1H3
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n/an/a 760n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human full length PDE10A2 expressed in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by...


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50180311
PNG
(CHEMBL3813937)
Show SMILES COc1cn(C)nc(-c2ccnn2-c2ccccc2)c1=O
Show InChI InChI=1S/C15H14N4O2/c1-18-10-13(21-2)15(20)14(17-18)12-8-9-16-19(12)11-6-4-3-5-7-11/h3-10H,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human full length PDE10A2 expressed in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by...


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50180312
PNG
(CHEMBL3814288)
Show SMILES COc1cn(nc(-c2ccnn2C)c1=O)-c1ccccc1
Show InChI InChI=1S/C15H14N4O2/c1-18-12(8-9-16-18)14-15(20)13(21-2)10-19(17-14)11-6-4-3-5-7-11/h3-10H,1-2H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human full length PDE10A2 expressed in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by...


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50180274
PNG
(CHEMBL3814101)
Show SMILES Cn1c(COc2cn(CC3CC3)nc(-c3ccnn3-c3ccccc3)c2=O)nc2ccccc12
Show InChI InChI=1S/C26H24N6O2/c1-30-21-10-6-5-9-20(21)28-24(30)17-34-23-16-31(15-18-11-12-18)29-25(26(23)33)22-13-14-27-32(22)19-7-3-2-4-8-19/h2-10,13-14,16,18H,11-12,15,17H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human full length PDE10A2 expressed in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by...


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50180268
PNG
(CHEMBL3814662)
Show SMILES O=c1c(OCCN2CCn3c2nc2ccccc32)cn(CC2CC2)nc1-c1ccnn1-c1ccccc1
Show InChI InChI=1S/C28H27N7O2/c36-27-25(37-17-16-32-14-15-34-23-9-5-4-8-22(23)30-28(32)34)19-33(18-20-10-11-20)31-26(27)24-12-13-29-35(24)21-6-2-1-3-7-21/h1-9,12-13,19-20H,10-11,14-18H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase alpha/beta


(Homo sapiens (Human))
BDBM50180268
PNG
(CHEMBL3814662)
Show SMILES O=c1c(OCCN2CCn3c2nc2ccccc32)cn(CC2CC2)nc1-c1ccnn1-c1ccccc1
Show InChI InChI=1S/C28H27N7O2/c36-27-25(37-17-16-32-14-15-34-23-9-5-4-8-22(23)30-28(32)34)19-33(18-20-10-11-20)31-26(27)24-12-13-29-35(24)21-6-2-1-3-7-21/h1-9,12-13,19-20H,10-11,14-18H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE6AB


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50180268
PNG
(CHEMBL3814662)
Show SMILES O=c1c(OCCN2CCn3c2nc2ccccc32)cn(CC2CC2)nc1-c1ccnn1-c1ccccc1
Show InChI InChI=1S/C28H27N7O2/c36-27-25(37-17-16-32-14-15-34-23-9-5-4-8-22(23)30-28(32)34)19-33(18-20-10-11-20)31-26(27)24-12-13-29-35(24)21-6-2-1-3-7-21/h1-9,12-13,19-20H,10-11,14-18H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE7B


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50180268
PNG
(CHEMBL3814662)
Show SMILES O=c1c(OCCN2CCn3c2nc2ccccc32)cn(CC2CC2)nc1-c1ccnn1-c1ccccc1
Show InChI InChI=1S/C28H27N7O2/c36-27-25(37-17-16-32-14-15-34-23-9-5-4-8-22(23)30-28(32)34)19-33(18-20-10-11-20)31-26(27)24-12-13-29-35(24)21-6-2-1-3-7-21/h1-9,12-13,19-20H,10-11,14-18H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE9A2


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50180268
PNG
(CHEMBL3814662)
Show SMILES O=c1c(OCCN2CCn3c2nc2ccccc32)cn(CC2CC2)nc1-c1ccnn1-c1ccccc1
Show InChI InChI=1S/C28H27N7O2/c36-27-25(37-17-16-32-14-15-34-23-9-5-4-8-22(23)30-28(32)34)19-33(18-20-10-11-20)31-26(27)24-12-13-29-35(24)21-6-2-1-3-7-21/h1-9,12-13,19-20H,10-11,14-18H2
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE11A4


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM50180268
PNG
(CHEMBL3814662)
Show SMILES O=c1c(OCCN2CCn3c2nc2ccccc32)cn(CC2CC2)nc1-c1ccnn1-c1ccccc1
Show InChI InChI=1S/C28H27N7O2/c36-27-25(37-17-16-32-14-15-34-23-9-5-4-8-22(23)30-28(32)34)19-33(18-20-10-11-20)31-26(27)24-12-13-29-35(24)21-6-2-1-3-7-21/h1-9,12-13,19-20H,10-11,14-18H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (Human))
BDBM50180268
PNG
(CHEMBL3814662)
Show SMILES O=c1c(OCCN2CCn3c2nc2ccccc32)cn(CC2CC2)nc1-c1ccnn1-c1ccccc1
Show InChI InChI=1S/C28H27N7O2/c36-27-25(37-17-16-32-14-15-34-23-9-5-4-8-22(23)30-28(32)34)19-33(18-20-10-11-20)31-26(27)24-12-13-29-35(24)21-6-2-1-3-7-21/h1-9,12-13,19-20H,10-11,14-18H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE8A1


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50180268
PNG
(CHEMBL3814662)
Show SMILES O=c1c(OCCN2CCn3c2nc2ccccc32)cn(CC2CC2)nc1-c1ccnn1-c1ccccc1
Show InChI InChI=1S/C28H27N7O2/c36-27-25(37-17-16-32-14-15-34-23-9-5-4-8-22(23)30-28(32)34)19-33(18-20-10-11-20)31-26(27)24-12-13-29-35(24)21-6-2-1-3-7-21/h1-9,12-13,19-20H,10-11,14-18H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE1A


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50180268
PNG
(CHEMBL3814662)
Show SMILES O=c1c(OCCN2CCn3c2nc2ccccc32)cn(CC2CC2)nc1-c1ccnn1-c1ccccc1
Show InChI InChI=1S/C28H27N7O2/c36-27-25(37-17-16-32-14-15-34-23-9-5-4-8-22(23)30-28(32)34)19-33(18-20-10-11-20)31-26(27)24-12-13-29-35(24)21-6-2-1-3-7-21/h1-9,12-13,19-20H,10-11,14-18H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A3


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50180268
PNG
(CHEMBL3814662)
Show SMILES O=c1c(OCCN2CCn3c2nc2ccccc32)cn(CC2CC2)nc1-c1ccnn1-c1ccccc1
Show InChI InChI=1S/C28H27N7O2/c36-27-25(37-17-16-32-14-15-34-23-9-5-4-8-22(23)30-28(32)34)19-33(18-20-10-11-20)31-26(27)24-12-13-29-35(24)21-6-2-1-3-7-21/h1-9,12-13,19-20H,10-11,14-18H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A1


Bioorg Med Chem 24: 3447-55 (2016)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%