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PubMed code 22780914

Compile data set for download or QSAR
Found 35 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
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300099
PNG
(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50300099
PNG
(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50397844
PNG
(CHEMBL2179099)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C22H26FN5O2/c1-14-11-27(12-15-2-4-16(23)5-3-15)13-19(14)20-25-21-18(22(29)26-20)10-24-28(21)17-6-8-30-9-7-17/h2-5,10,14,17,19H,6-9,11-13H2,1H3,(H,25,26,29)/t14-,19-/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 human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50397850
PNG
(CHEMBL2179093)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C17H18N4O2/c22-17-14-11-18-21(13-6-8-23-9-7-13)16(14)19-15(20-17)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,19,20,22)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50397845
PNG
(CHEMBL2177125)
Show SMILES C[C@@H]1CN(Cc2cccc(F)c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C22H26FN5O2/c1-14-11-27(12-15-3-2-4-16(23)9-15)13-19(14)20-25-21-18(22(29)26-20)10-24-28(21)17-5-7-30-8-6-17/h2-4,9-10,14,17,19H,5-8,11-13H2,1H3,(H,25,26,29)/t14-,19-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50397848
PNG
(CHEMBL2179096)
Show SMILES CC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C23H29N5O2/c1-2-17-14-27(13-16-6-4-3-5-7-16)15-20(17)21-25-22-19(23(29)26-21)12-24-28(22)18-8-10-30-11-9-18/h3-7,12,17-18,20H,2,8-11,13-15H2,1H3,(H,25,26,29)/t17-,20-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50397843
PNG
(CHEMBL2179100)
Show SMILES COc1ccc(CN2C[C@@H](C)[C@@H](C2)c2nc3n(ncc3c(=O)[nH]2)C2CCOCC2)cc1 |r|
Show InChI InChI=1S/C23H29N5O3/c1-15-12-27(13-16-3-5-18(30-2)6-4-16)14-20(15)21-25-22-19(23(29)26-21)11-24-28(22)17-7-9-31-10-8-17/h3-6,11,15,17,20H,7-10,12-14H2,1-2H3,(H,25,26,29)/t15-,20-/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50397841
PNG
(CHEMBL2179102)
Show SMILES C[C@@H]1CN(Cc2ccc(C)nc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C22H28N6O2/c1-14-11-27(12-16-4-3-15(2)23-9-16)13-19(14)20-25-21-18(22(29)26-20)10-24-28(21)17-5-7-30-8-6-17/h3-4,9-10,14,17,19H,5-8,11-13H2,1-2H3,(H,25,26,29)/t14-,19-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50397839
PNG
(CHEMBL2179104)
Show SMILES C[C@@H]1CN(Cc2cnc(C)nc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-13-10-27(11-15-7-22-14(2)23-8-15)12-18(13)19-25-20-17(21(29)26-19)9-24-28(20)16-3-5-30-6-4-16/h7-9,13,16,18H,3-6,10-12H2,1-2H3,(H,25,26,29)/t13-,18-/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50397846
PNG
(CHEMBL2179098)
Show SMILES C[C@@H]1CN(Cc2ccccc2F)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C22H26FN5O2/c1-14-11-27(12-15-4-2-3-5-19(15)23)13-18(14)20-25-21-17(22(29)26-20)10-24-28(21)16-6-8-30-9-7-16/h2-5,10,14,16,18H,6-9,11-13H2,1H3,(H,25,26,29)/t14-,18-/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50397851
PNG
(CHEMBL2179094)
Show SMILES C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C22H27N5O2/c1-15-12-26(13-16-5-3-2-4-6-16)14-19(15)20-24-21-18(22(28)25-20)11-23-27(21)17-7-9-29-10-8-17/h2-6,11,15,17,19H,7-10,12-14H2,1H3,(H,24,25,28)/t15-,19-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50397842
PNG
(CHEMBL2179101)
Show SMILES C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C21H26N6O2/c1-14-11-26(12-15-4-2-3-7-22-15)13-18(14)19-24-20-17(21(28)25-19)10-23-27(20)16-5-8-29-9-6-16/h2-4,7,10,14,16,18H,5-6,8-9,11-13H2,1H3,(H,24,25,28)/t14-,18-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50397838
PNG
(CHEMBL2179105)
Show SMILES C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C20H25N7O2/c1-13-10-26(12-17-21-5-2-6-22-17)11-16(13)18-24-19-15(20(28)25-18)9-23-27(19)14-3-7-29-8-4-14/h2,5-6,9,13-14,16H,3-4,7-8,10-12H2,1H3,(H,24,25,28)/t13-,16-/m1/s1
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n/an/a 8.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50397840
PNG
(CHEMBL2179103)
Show SMILES C[C@@H]1CN(Cc2cnc(C)cn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-13-10-27(11-15-8-22-14(2)7-23-15)12-18(13)19-25-20-17(21(29)26-19)9-24-28(20)16-3-5-30-6-4-16/h7-9,13,16,18H,3-6,10-12H2,1-2H3,(H,25,26,29)/t13-,18-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50397850
PNG
(CHEMBL2179093)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C17H18N4O2/c22-17-14-11-18-21(13-6-8-23-9-7-13)16(14)19-15(20-17)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,19,20,22)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50397847
PNG
(CHEMBL2179097)
Show SMILES C[C@@H]1CNC[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C15H21N5O2/c1-9-6-16-7-11(9)13-18-14-12(15(21)19-13)8-17-20(14)10-2-4-22-5-3-10/h8-11,16H,2-7H2,1H3,(H,18,19,21)/t9-,11-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50397849
PNG
(CHEMBL2179095)
Show SMILES C[C@H]1CN(Cc2ccccc2)C[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C22H27N5O2/c1-15-12-26(13-16-5-3-2-4-6-16)14-19(15)20-24-21-18(22(28)25-20)11-23-27(21)17-7-9-29-10-8-17/h2-6,11,15,17,19H,7-10,12-14H2,1H3,(H,24,25,28)/t15-,19-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50397844
PNG
(CHEMBL2179099)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C22H26FN5O2/c1-14-11-27(12-15-2-4-16(23)5-3-15)13-19(14)20-25-21-18(22(29)26-20)10-24-28(21)17-6-8-30-9-7-17/h2-5,10,14,17,19H,6-9,11-13H2,1H3,(H,25,26,29)/t14-,19-/m1/s1
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n/an/a 165n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50397848
PNG
(CHEMBL2179096)
Show SMILES CC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C23H29N5O2/c1-2-17-14-27(13-16-6-4-3-5-7-16)15-20(17)21-25-22-19(23(29)26-21)12-24-28(22)18-8-10-30-11-9-18/h3-7,12,17-18,20H,2,8-11,13-15H2,1H3,(H,25,26,29)/t17-,20-/m1/s1
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n/an/a 431n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50397843
PNG
(CHEMBL2179100)
Show SMILES COc1ccc(CN2C[C@@H](C)[C@@H](C2)c2nc3n(ncc3c(=O)[nH]2)C2CCOCC2)cc1 |r|
Show InChI InChI=1S/C23H29N5O3/c1-15-12-27(13-16-3-5-18(30-2)6-4-16)14-20(15)21-25-22-19(23(29)26-21)11-24-28(22)17-7-9-31-10-8-17/h3-6,11,15,17,20H,7-10,12-14H2,1-2H3,(H,25,26,29)/t15-,20-/m1/s1
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n/an/a 466n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50397845
PNG
(CHEMBL2177125)
Show SMILES C[C@@H]1CN(Cc2cccc(F)c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C22H26FN5O2/c1-14-11-27(12-15-3-2-4-16(23)9-15)13-19(14)20-25-21-18(22(29)26-20)10-24-28(21)17-5-7-30-8-6-17/h2-4,9-10,14,17,19H,5-8,11-13H2,1H3,(H,25,26,29)/t14-,19-/m1/s1
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n/an/a 693n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50397846
PNG
(CHEMBL2179098)
Show SMILES C[C@@H]1CN(Cc2ccccc2F)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C22H26FN5O2/c1-14-11-27(12-15-4-2-3-5-19(15)23)13-18(14)20-25-21-17(22(29)26-20)10-24-28(21)16-6-8-30-9-7-16/h2-5,10,14,16,18H,6-9,11-13H2,1H3,(H,25,26,29)/t14-,18-/m1/s1
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n/an/a 889n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50397841
PNG
(CHEMBL2179102)
Show SMILES C[C@@H]1CN(Cc2ccc(C)nc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C22H28N6O2/c1-14-11-27(12-16-4-3-15(2)23-9-16)13-19(14)20-25-21-18(22(29)26-20)10-24-28(21)17-5-7-30-8-6-17/h3-4,9-10,14,17,19H,5-8,11-13H2,1-2H3,(H,25,26,29)/t14-,19-/m1/s1
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n/an/a 979n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50397851
PNG
(CHEMBL2179094)
Show SMILES C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C22H27N5O2/c1-15-12-26(13-16-5-3-2-4-6-16)14-19(15)20-24-21-18(22(28)25-20)11-23-27(21)17-7-9-29-10-8-17/h2-6,11,15,17,19H,7-10,12-14H2,1H3,(H,24,25,28)/t15-,19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50397838
PNG
(CHEMBL2179105)
Show SMILES C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C20H25N7O2/c1-13-10-26(12-17-21-5-2-6-22-17)11-16(13)18-24-19-15(20(28)25-18)9-23-27(19)14-3-7-29-8-4-14/h2,5-6,9,13-14,16H,3-4,7-8,10-12H2,1H3,(H,24,25,28)/t13-,16-/m1/s1
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n/an/a 1.39E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50397840
PNG
(CHEMBL2179103)
Show SMILES C[C@@H]1CN(Cc2cnc(C)cn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-13-10-27(11-15-8-22-14(2)7-23-15)12-18(13)19-25-20-17(21(29)26-19)9-24-28(20)16-3-5-30-6-4-16/h7-9,13,16,18H,3-6,10-12H2,1-2H3,(H,25,26,29)/t13-,18-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50397842
PNG
(CHEMBL2179101)
Show SMILES C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C21H26N6O2/c1-14-11-26(12-15-4-2-3-7-22-15)13-18(14)19-24-20-17(21(28)25-19)10-23-27(20)16-5-8-29-9-6-16/h2-4,7,10,14,16,18H,5-6,8-9,11-13H2,1H3,(H,24,25,28)/t14-,18-/m1/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50397839
PNG
(CHEMBL2179104)
Show SMILES C[C@@H]1CN(Cc2cnc(C)nc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-13-10-27(11-15-7-22-14(2)23-8-15)12-18(13)19-25-20-17(21(29)26-19)9-24-28(20)16-3-5-30-6-4-16/h7-9,13,16,18H,3-6,10-12H2,1-2H3,(H,25,26,29)/t13-,18-/m1/s1
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n/an/a 1.87E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50397847
PNG
(CHEMBL2179097)
Show SMILES C[C@@H]1CNC[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C15H21N5O2/c1-9-6-16-7-11(9)13-18-14-12(15(21)19-13)8-17-20(14)10-2-4-22-5-3-10/h8-11,16H,2-7H2,1H3,(H,18,19,21)/t9-,11-/m1/s1
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n/an/a 3.42E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50397849
PNG
(CHEMBL2179095)
Show SMILES C[C@H]1CN(Cc2ccccc2)C[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C22H27N5O2/c1-15-12-26(13-16-5-3-2-4-6-16)14-19(15)20-24-21-18(22(28)25-20)11-23-27(21)17-7-9-29-10-8-17/h2-6,11,15,17,19H,7-10,12-14H2,1H3,(H,24,25,28)/t15-,19-/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50397838
PNG
(CHEMBL2179105)
Show SMILES C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C20H25N7O2/c1-13-10-26(12-17-21-5-2-6-22-17)11-16(13)18-24-19-15(20(28)25-18)9-23-27(19)14-3-7-29-8-4-14/h2,5-6,9,13-14,16H,3-4,7-8,10-12H2,1H3,(H,24,25,28)/t13-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50397838
PNG
(CHEMBL2179105)
Show SMILES C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C20H25N7O2/c1-13-10-26(12-17-21-5-2-6-22-17)11-16(13)18-24-19-15(20(28)25-18)9-23-27(19)14-3-7-29-8-4-14/h2,5-6,9,13-14,16H,3-4,7-8,10-12H2,1H3,(H,24,25,28)/t13-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4C


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50397838
PNG
(CHEMBL2179105)
Show SMILES C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C20H25N7O2/c1-13-10-26(12-17-21-5-2-6-22-17)11-16(13)18-24-19-15(20(28)25-18)9-23-27(19)14-3-7-29-8-4-14/h2,5-6,9,13-14,16H,3-4,7-8,10-12H2,1H3,(H,24,25,28)/t13-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE7B


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (Human))
BDBM50397838
PNG
(CHEMBL2179105)
Show SMILES C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C20H25N7O2/c1-13-10-26(12-17-21-5-2-6-22-17)11-16(13)18-24-19-15(20(28)25-18)9-23-27(19)14-3-7-29-8-4-14/h2,5-6,9,13-14,16H,3-4,7-8,10-12H2,1H3,(H,24,25,28)/t13-,16-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM50397838
PNG
(CHEMBL2179105)
Show SMILES C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C20H25N7O2/c1-13-10-26(12-17-21-5-2-6-22-17)11-16(13)18-24-19-15(20(28)25-18)9-23-27(19)14-3-7-29-8-4-14/h2,5-6,9,13-14,16H,3-4,7-8,10-12H2,1H3,(H,24,25,28)/t13-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE3A


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%