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PubMed code 25221665

Compile data set for download or QSAR
Found 33 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50425123
PNG
(CHEMBL2313234 | US9669035, B-3)
Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
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n/an/a 2.80n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A expressed in Sf9 cells incubated for 40 mins using [3H]-cGMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50026827
PNG
(CHEMBL3331516 | US9669035, B-6)
Show SMILES CC(C)Oc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H26ClN5O2/c1-15(2)32-18-5-6-20(25)19(13-18)24-28-27-23-16(3)26-21-7-4-17(12-22(21)30(23)24)14-29-8-10-31-11-9-29/h4-7,12-13,15H,8-11,14H2,1-3H3
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n/an/a 4.80n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A expressed in Sf9 cells incubated for 40 mins using [3H]-cGMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50026829
PNG
(CHEMBL3331514 | US9669035, B-7)
Show SMILES CCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C23H24ClN5O2/c1-3-31-17-5-6-19(24)18(13-17)23-27-26-22-15(2)25-20-7-4-16(12-21(20)29(22)23)14-28-8-10-30-11-9-28/h4-7,12-13H,3,8-11,14H2,1-2H3
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n/an/a 6.10n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A expressed in Sf9 cells incubated for 40 mins using [3H]-cGMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50026828
PNG
(CHEMBL3331515 | US9669035, B-8)
Show SMILES CCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H26ClN5O2/c1-3-10-32-18-5-6-20(25)19(14-18)24-28-27-23-16(2)26-21-7-4-17(13-22(21)30(23)24)15-29-8-11-31-12-9-29/h4-7,13-14H,3,8-12,15H2,1-2H3
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n/an/a 6.5n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A expressed in Sf9 cells incubated for 40 mins using [3H]-cGMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50026826
PNG
(CHEMBL3331517 | US9669035, B-2)
Show SMILES CCCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C25H28ClN5O2/c1-3-4-11-33-19-6-7-21(26)20(15-19)25-29-28-24-17(2)27-22-8-5-18(14-23(22)31(24)25)16-30-9-12-32-13-10-30/h5-8,14-15H,3-4,9-13,16H2,1-2H3
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n/an/a 7.70n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A expressed in Sf9 cells incubated for 40 mins using [3H]-cGMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50026820
PNG
(CHEMBL3331513 | US9669035, B-10)
Show SMILES COc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C22H22ClN5O2/c1-14-21-25-26-22(17-12-16(29-2)4-5-18(17)23)28(21)20-11-15(3-6-19(20)24-14)13-27-7-9-30-10-8-27/h3-6,11-12H,7-10,13H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A expressed in Sf9 cells incubated for 40 mins using [3H]-cGMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50026821
PNG
(CHEMBL3331521 | US9669035, B-1b)
Show SMILES CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A expressed in Sf9 cells incubated for 40 mins using [3H]-cGMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50026825
PNG
(CHEMBL3331518 | US9669035, B-12)
Show SMILES COc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C21H22N6O2/c1-14-20-24-25-21(16-10-17(28-2)12-22-11-16)27(20)19-9-15(3-4-18(19)23-14)13-26-5-7-29-8-6-26/h3-4,9-12H,5-8,13H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A expressed in Sf9 cells incubated for 40 mins using [3H]-cGMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50026824
PNG
(CHEMBL3331519 | US9669035, B-16)
Show SMILES CCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C23H26N6O2/c1-3-8-31-19-12-18(13-24-14-19)23-27-26-22-16(2)25-20-5-4-17(11-21(20)29(22)23)15-28-6-9-30-10-7-28/h4-5,11-14H,3,6-10,15H2,1-2H3
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n/an/a 31n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A expressed in Sf9 cells incubated for 40 mins using [3H]-cGMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50425123
PNG
(CHEMBL2313234 | US9669035, B-3)
Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
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n/an/a 35n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of rat PDE10A expressed in Sf9 cells incubated for 60 mins using [3H]-cAMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50026820
PNG
(CHEMBL3331513 | US9669035, B-10)
Show SMILES COc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C22H22ClN5O2/c1-14-21-25-26-22(17-12-16(29-2)4-5-18(17)23)28(21)20-11-15(3-6-19(20)24-14)13-27-7-9-30-10-8-27/h3-6,11-12H,7-10,13H2,1-2H3
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n/an/a 106n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of rat PDE10A expressed in Sf9 cells incubated for 60 mins using [3H]-cAMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50026822
PNG
(CHEMBL3331522)
Show SMILES COCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C23H26N6O3/c1-16-22-26-27-23(18-12-19(14-24-13-18)32-10-9-30-2)29(22)21-11-17(3-4-20(21)25-16)15-28-5-7-31-8-6-28/h3-4,11-14H,5-10,15H2,1-2H3
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n/an/a 123n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A expressed in Sf9 cells incubated for 40 mins using [3H]-cGMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50026829
PNG
(CHEMBL3331514 | US9669035, B-7)
Show SMILES CCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C23H24ClN5O2/c1-3-31-17-5-6-19(24)18(13-17)23-27-26-22-15(2)25-20-7-4-16(12-21(20)29(22)23)14-28-8-10-30-11-9-28/h4-7,12-13H,3,8-11,14H2,1-2H3
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n/an/a 266n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of rat PDE10A expressed in Sf9 cells incubated for 60 mins using [3H]-cAMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50026825
PNG
(CHEMBL3331518 | US9669035, B-12)
Show SMILES COc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C21H22N6O2/c1-14-20-24-25-21(16-10-17(28-2)12-22-11-16)27(20)19-9-15(3-4-18(19)23-14)13-26-5-7-29-8-6-26/h3-4,9-12H,5-8,13H2,1-2H3
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n/an/a 271n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of rat PDE10A expressed in Sf9 cells incubated for 60 mins using [3H]-cAMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50026828
PNG
(CHEMBL3331515 | US9669035, B-8)
Show SMILES CCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H26ClN5O2/c1-3-10-32-18-5-6-20(25)19(14-18)24-28-27-23-16(2)26-21-7-4-17(13-22(21)30(23)24)15-29-8-11-31-12-9-29/h4-7,13-14H,3,8-12,15H2,1-2H3
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n/an/a 322n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of rat PDE10A expressed in Sf9 cells incubated for 60 mins using [3H]-cAMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50026823
PNG
(CHEMBL3331520)
Show SMILES CC(C)Oc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C23H26N6O2/c1-15(2)31-19-11-18(12-24-13-19)23-27-26-22-16(3)25-20-5-4-17(10-21(20)29(22)23)14-28-6-8-30-9-7-28/h4-5,10-13,15H,6-9,14H2,1-3H3
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n/an/a 404n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A expressed in Sf9 cells incubated for 40 mins using [3H]-cGMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50026826
PNG
(CHEMBL3331517 | US9669035, B-2)
Show SMILES CCCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C25H28ClN5O2/c1-3-4-11-33-19-6-7-21(26)20(15-19)25-29-28-24-17(2)27-22-8-5-18(14-23(22)31(24)25)16-30-9-12-32-13-10-30/h5-8,14-15H,3-4,9-13,16H2,1-2H3
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n/an/a 1.62E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of rat PDE10A expressed in Sf9 cells incubated for 60 mins using [3H]-cAMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50026827
PNG
(CHEMBL3331516 | US9669035, B-6)
Show SMILES CC(C)Oc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H26ClN5O2/c1-15(2)32-18-5-6-20(25)19(13-18)24-28-27-23-16(3)26-21-7-4-17(12-22(21)30(23)24)14-29-8-10-31-11-9-29/h4-7,12-13,15H,8-11,14H2,1-3H3
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n/an/a 1.86E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of rat PDE10A expressed in Sf9 cells incubated for 60 mins using [3H]-cAMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50026821
PNG
(CHEMBL3331521 | US9669035, B-1b)
Show SMILES CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3
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n/an/a 2.14E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE11A4 expressed in Sf9 cells by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50026821
PNG
(CHEMBL3331521 | US9669035, B-1b)
Show SMILES CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3
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n/an/a 4.82E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of rat PDE10A expressed in Sf9 cells incubated for 60 mins using [3H]-cAMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50026824
PNG
(CHEMBL3331519 | US9669035, B-16)
Show SMILES CCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C23H26N6O2/c1-3-8-31-19-12-18(13-24-14-19)23-27-26-22-16(2)25-20-5-4-17(11-21(20)29(22)23)15-28-6-9-30-10-7-28/h4-5,11-14H,3,6-10,15H2,1-2H3
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n/an/a 6.13E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of rat PDE10A expressed in Sf9 cells incubated for 60 mins using [3H]-cAMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50026822
PNG
(CHEMBL3331522)
Show SMILES COCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C23H26N6O3/c1-16-22-26-27-23(18-12-19(14-24-13-18)32-10-9-30-2)29(22)21-11-17(3-4-20(21)25-16)15-28-5-7-31-8-6-28/h3-4,11-14H,5-10,15H2,1-2H3
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n/an/a 7.76E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of rat PDE10A expressed in Sf9 cells incubated for 60 mins using [3H]-cAMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50026821
PNG
(CHEMBL3331521 | US9669035, B-1b)
Show SMILES CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE9A1 expressed in Sf9 cells by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50026821
PNG
(CHEMBL3331521 | US9669035, B-1b)
Show SMILES CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50026823
PNG
(CHEMBL3331520)
Show SMILES CC(C)Oc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C23H26N6O2/c1-15(2)31-19-11-18(12-24-13-19)23-27-26-22-16(3)25-20-5-4-17(10-21(20)29(22)23)14-28-6-8-30-9-7-28/h4-5,10-13,15H,6-9,14H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of rat PDE10A expressed in Sf9 cells incubated for 60 mins using [3H]-cAMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50026821
PNG
(CHEMBL3331521 | US9669035, B-1b)
Show SMILES CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50026821
PNG
(CHEMBL3331521 | US9669035, B-1b)
Show SMILES CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM50026821
PNG
(CHEMBL3331521 | US9669035, B-1b)
Show SMILES CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE1A by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B


(Homo sapiens (Human))
BDBM50026821
PNG
(CHEMBL3331521 | US9669035, B-1b)
Show SMILES CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE3B by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50026821
PNG
(CHEMBL3331521 | US9669035, B-1b)
Show SMILES CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50026821
PNG
(CHEMBL3331521 | US9669035, B-1b)
Show SMILES CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50026821
PNG
(CHEMBL3331521 | US9669035, B-1b)
Show SMILES CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in Sf9 cells by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50026821
PNG
(CHEMBL3331521 | US9669035, B-1b)
Show SMILES CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%