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Compile Data Set for Download or QSAR

Found 747 hits Enz. Inhib. hit(s) with Target = 'cGMP-dependent 3',5'-cyclic phosphodiesterase'   
Target
(Institution)
LigandTarget
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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM171943
PNG
(US9085584, 113)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCCOC1)C1CC1
Show InChI InChI=1/C23H22ClN5O2/c1-13-20-27-28-21(29(20)22-19(25-13)8-7-18(26-22)14-3-4-14)16-11-15(5-6-17(16)24)23(30)9-2-10-31-12-23/h5-8,11,14,30H,2-4,9-10,12H2,1H3
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US Patent
n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...


US Patent US9085584 (2015)

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


(Homo sapiens (Human))
BDBM50425140
PNG
(CHEMBL2313250)
Show SMILES CCNC(=O)c1ccc2nc(C)c3nnc(-c4c(Cl)cccc4Cl)n3c2c1
Show InChI InChI=1S/C19H15Cl2N5O/c1-3-22-19(27)11-7-8-14-15(9-11)26-17(10(2)23-14)24-25-18(26)16-12(20)5-4-6-13(16)21/h4-9H,3H2,1-2H3,(H,22,27)
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n/an/a 0.280n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE2A expressed in Sf9 cells by scintillation proximity assay


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


(Homo sapiens (Human))
BDBM107776
PNG
(US8598155, 13)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cc2)C(F)(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C20H18F3N7/c1-12-27-16(18-19(29-8-3-9-29)24-11-26-30(12)18)15-10-25-28(2)17(15)13-4-6-14(7-5-13)20(21,22)23/h4-7,10-11H,3,8-9H2,1-2H3
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US Patent
n/an/a 0.303n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM50425132
PNG
(CHEMBL2313258)
Show SMILES Cc1nc2ccc(cc2n2c(nnc12)-c1ccccc1Cl)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H18ClN5O/c1-15-22-28-29-23(18-9-5-6-10-19(18)25)30(22)21-13-17(11-12-20(21)27-15)24(31)26-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,26,31)
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n/an/a 0.380n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE2A expressed in Sf9 cells by scintillation proximity assay


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


(Homo sapiens (Human))
BDBM50425126
PNG
(CHEMBL2313231)
Show SMILES Cc1nc2ccc(cc2n2c(nnc12)-c1ccccc1Cl)C(=O)NCc1ccccn1
Show InChI InChI=1S/C23H17ClN6O/c1-14-21-28-29-22(17-7-2-3-8-18(17)24)30(21)20-12-15(9-10-19(20)27-14)23(31)26-13-16-6-4-5-11-25-16/h2-12H,13H2,1H3,(H,26,31)
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n/an/a 0.420n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE2A expressed in Sf9 cells by scintillation proximity assay


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


(Homo sapiens (Human))
BDBM50425127
PNG
(CHEMBL2313263)
Show SMILES Cc1nc2ccc(cc2n2c(nnc12)-c1ccccc1Cl)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C23H23ClN6O2/c1-15-21-27-28-22(17-4-2-3-5-18(17)24)30(21)20-14-16(6-7-19(20)26-15)23(31)25-8-9-29-10-12-32-13-11-29/h2-7,14H,8-13H2,1H3,(H,25,31)
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n/an/a 0.470n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE2A expressed in Sf9 cells by scintillation proximity assay


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


(Homo sapiens (Human))
BDBM107778
PNG
(US8598155, 15)
Show SMILES CCc1ccc(cc1)-c1c(cnn1C)-c1nc(C)n2ncnc(N3CCC3)c12
Show InChI InChI=1S/C21H23N7/c1-4-15-6-8-16(9-7-15)19-17(12-23-26(19)3)18-20-21(27-10-5-11-27)22-13-24-28(20)14(2)25-18/h6-9,12-13H,4-5,10-11H2,1-3H3
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US Patent
n/an/a 0.517n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM107849
PNG
(US8598155, 8)
Show SMILES COc1ccc(-c2c(cnn2C)-c2nc(C)n3ncnc(N4CCC4)c23)c(C)c1
Show InChI InChI=1S/C21H23N7O/c1-13-10-15(29-4)6-7-16(13)19-17(11-23-26(19)3)18-20-21(27-8-5-9-27)22-12-24-28(20)14(2)25-18/h6-7,10-12H,5,8-9H2,1-4H3
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n/an/a 0.578n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM50425143
PNG
(CHEMBL2313247)
Show SMILES CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1
Show InChI InChI=1S/C19H16ClN5O/c1-3-21-19(26)12-8-9-15-16(10-12)25-17(11(2)22-15)23-24-18(25)13-6-4-5-7-14(13)20/h4-10H,3H2,1-2H3,(H,21,26)
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n/an/a 0.600n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE2A expressed in Sf9 cells by scintillation proximity assay


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


(Homo sapiens (Human))
BDBM50434022
PNG
(CHEMBL2381188 | US8598155, 52)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cc2)C(F)(F)F)c2c(ncnn12)N1CC(F)C1
Show InChI InChI=1S/C20H17F4N7/c1-11-28-16(18-19(25-10-27-31(11)18)30-8-14(21)9-30)15-7-26-29(2)17(15)12-3-5-13(6-4-12)20(22,23)24/h3-7,10,14H,8-9H2,1-2H3
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n/an/a 0.633n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM107819
PNG
(US8598155, 57)
Show SMILES COc1ccc(-c2c(cnn2C)-c2nc(C)n3ncnc(N4CCC4)c23)c(Cl)c1
Show InChI InChI=1S/C20H20ClN7O/c1-12-25-17(19-20(27-7-4-8-27)22-11-24-28(12)19)15-10-23-26(2)18(15)14-6-5-13(29-3)9-16(14)21/h5-6,9-11H,4,7-8H2,1-3H3
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n/an/a 0.761n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM107773
PNG
(US8598155, 9)
Show SMILES CNc1ncnn2c(CO)nc(-c3cnn(C)c3-c3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C18H16F3N7O/c1-22-17-16-14(26-13(8-29)28(16)25-9-23-17)12-7-24-27(2)15(12)10-3-5-11(6-4-10)18(19,20)21/h3-7,9,29H,8H2,1-2H3,(H,22,23,25)
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n/an/a 0.763n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM107799
PNG
(US8598155, 36)
Show SMILES COc1ccc(-c2c(cnn2C)-c2nc(C)n3ncnc(N4CCC4)c23)c(F)c1
Show InChI InChI=1S/C20H20FN7O/c1-12-25-17(19-20(27-7-4-8-27)22-11-24-28(12)19)15-10-23-26(2)18(15)14-6-5-13(29-3)9-16(14)21/h5-6,9-11H,4,7-8H2,1-3H3
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n/an/a 0.825n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM107814
PNG
(US8598155, 51)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cc2C#N)C(F)(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C21H17F3N8/c1-12-29-17(19-20(31-6-3-7-31)26-11-28-32(12)19)16-10-27-30(2)18(16)15-5-4-14(21(22,23)24)8-13(15)9-25/h4-5,8,10-11H,3,6-7H2,1-2H3
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n/an/a 0.959n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM107845
PNG
(US8598155, 83)
Show SMILES COC(=O)NC1CN(C1)c1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C22H21F3N8O2/c1-12-29-17(16-8-27-31(2)18(16)13-4-6-14(7-5-13)22(23,24)25)19-20(26-11-28-33(12)19)32-9-15(10-32)30-21(34)35-3/h4-8,11,15H,9-10H2,1-3H3,(H,30,34)
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n/an/a 0.975n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM50129817
PNG
(CHEMBL3628685)
Show SMILES COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1
Show InChI InChI=1S/C21H23F2NO4/c1-26-16-9-6-14(7-10-16)13-24-20(25)15-8-11-18(28-21(22)23)19(12-15)27-17-4-2-3-5-17/h6-12,17,21H,2-5,13H2,1H3,(H,24,25)
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n/an/a>1n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay


Bioorg Med Chem 23: 7332-9 (2015)

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


(Homo sapiens (Human))
BDBM171929
PNG
(US9085584, 88)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCC1)C1CC1
Show InChI InChI=1S/C22H20ClN5O/c1-12-19-26-27-20(15-11-14(5-6-16(15)23)22(29)9-2-10-22)28(19)21-18(24-12)8-7-17(25-21)13-3-4-13/h5-8,11,13,29H,2-4,9-10H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...


US Patent US9085584 (2015)

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


(Homo sapiens (Human))
BDBM107797
PNG
(US8598155, 34)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(Cl)cc2F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C19H17ClFN7/c1-11-25-16(18-19(27-6-3-7-27)22-10-24-28(11)18)14-9-23-26(2)17(14)13-5-4-12(20)8-15(13)21/h4-5,8-10H,3,6-7H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM171910
PNG
(US9085584, 69)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(CCC(C)(C)O)ccc1Cl)C1CC1
Show InChI InChI=1S/C23H24ClN5O/c1-13-20-27-28-21(16-12-14(4-7-17(16)24)10-11-23(2,3)30)29(20)22-19(25-13)9-8-18(26-22)15-5-6-15/h4,7-9,12,15,30H,5-6,10-11H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...


US Patent US9085584 (2015)

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


(Homo sapiens (Human))
BDBM171890
PNG
(US9085584, 56 | US9085584, 56a | US9085584, 56b | ...)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(OC2COCC2O)ccc1Cl)C1CC1
Show InChI InChI=1/C22H20ClN5O3/c1-11-20-26-27-21(28(20)22-17(24-11)7-6-16(25-22)12-2-3-12)14-8-13(4-5-15(14)23)31-19-10-30-9-18(19)29/h4-8,12,18-19,29H,2-3,9-10H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...


US Patent US9085584 (2015)

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


(Homo sapiens (Human))
BDBM171839
PNG
(US9085584, 9)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(O)ccc1Cl)C1CC1
Show InChI InChI=1S/C18H14ClN5O/c1-9-16-22-23-17(12-8-11(25)4-5-13(12)19)24(16)18-15(20-9)7-6-14(21-18)10-2-3-10/h4-8,10,25H,2-3H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...


US Patent US9085584 (2015)

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


(Homo sapiens (Human))
BDBM171935
PNG
(US9085584, 94)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCOCC1)C1CC1
Show InChI InChI=1S/C23H22ClN5O2/c1-13-20-27-28-21(29(20)22-19(25-13)7-6-18(26-22)14-2-3-14)16-12-15(4-5-17(16)24)23(30)8-10-31-11-9-23/h4-7,12,14,30H,2-3,8-11H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...


US Patent US9085584 (2015)

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


(Homo sapiens (Human))
BDBM171932
PNG
(US9085584, 91)
Show SMILES CC(C)c1ccc2nc(C)c3nnc(-c4cc(ccc4Cl)C4(O)CCC4)n3c2n1
Show InChI InChI=1S/C22H22ClN5O/c1-12(2)17-7-8-18-21(25-17)28-19(13(3)24-18)26-27-20(28)15-11-14(5-6-16(15)23)22(29)9-4-10-22/h5-8,11-12,29H,4,9-10H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...


US Patent US9085584 (2015)

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


(Homo sapiens (Human))
BDBM107812
PNG
(US8598155, 49)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cc2)C(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C20H19F2N7/c1-12-26-16(18-20(28-8-3-9-28)23-11-25-29(12)18)15-10-24-27(2)17(15)13-4-6-14(7-5-13)19(21)22/h4-7,10-11,19H,3,8-9H2,1-2H3
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n/an/a 1.01n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM107829
PNG
(US8598155, 67)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(Br)cc2)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C19H18BrN7/c1-12-24-16(18-19(26-8-3-9-26)21-11-23-27(12)18)15-10-22-25(2)17(15)13-4-6-14(20)7-5-13/h4-7,10-11H,3,8-9H2,1-2H3
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n/an/a 1.02n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM131002
PNG
(US8829010, 53)
Show SMILES CN(C)c1ncnc2n(C)nc(-c3cnn(C)c3-c3ccc(cc3C)C(F)(F)F)c12
Show InChI InChI=1S/C20H20F3N7/c1-11-8-12(20(21,22)23)6-7-13(11)17-14(9-26-29(17)4)16-15-18(28(2)3)24-10-25-19(15)30(5)27-16/h6-10H,1-5H3
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n/an/a 1.06n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
In the present assay, the activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximi...


US Patent US8829010 (2014)

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


(Homo sapiens (Human))
BDBM107843
PNG
(US8598155, 81)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cc2F)C(F)(F)F)c2c(ncnn12)N1CC(F)C1
Show InChI InChI=1S/C20H16F5N7/c1-10-29-16(18-19(26-9-28-32(10)18)31-7-12(21)8-31)14-6-27-30(2)17(14)13-4-3-11(5-15(13)22)20(23,24)25/h3-6,9,12H,7-8H2,1-2H3
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n/an/a 1.08n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM107817
PNG
(US8598155, 55)
Show SMILES COc1ccc(-c2c(cnn2C)-c2nc(C)n3ncnc(N4CCC4)c23)c(F)c1F
Show InChI InChI=1S/C20H19F2N7O/c1-11-26-17(19-20(28-7-4-8-28)23-10-25-29(11)19)13-9-24-27(2)18(13)12-5-6-14(30-3)16(22)15(12)21/h5-6,9-10H,4,7-8H2,1-3H3
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n/an/a 1.08n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM107830
PNG
(US8598155, 68)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(OC(F)F)cc2)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C20H19F2N7O/c1-12-26-16(18-19(28-8-3-9-28)23-11-25-29(12)18)15-10-24-27(2)17(15)13-4-6-14(7-5-13)30-20(21)22/h4-7,10-11,20H,3,8-9H2,1-2H3
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n/an/a 1.18n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM107777
PNG
(US8598155, 14)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cc2)C(F)(F)F)c2c(ncnn12)N1CC(F)(F)C1
Show InChI InChI=1S/C20H16F5N7/c1-11-29-15(17-18(26-10-28-32(11)17)31-8-19(21,22)9-31)14-7-27-30(2)16(14)12-3-5-13(6-4-12)20(23,24)25/h3-7,10H,8-9H2,1-2H3
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n/an/a 1.25n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM47122
PNG
(US8598155, 10 | US8598155, 3)
Show SMILES CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C18H16F3N7/c1-10-26-14(16-17(22-2)23-9-25-28(10)16)13-8-24-27(3)15(13)11-4-6-12(7-5-11)18(19,20)21/h4-9H,1-3H3,(H,22,23,25)
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n/an/a 1.25n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM107769
PNG
(US8598155, 4 | US8598155, 86)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(Cl)cc2)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C19H18ClN7/c1-12-24-16(18-19(26-8-3-9-26)21-11-23-27(12)18)15-10-22-25(2)17(15)13-4-6-14(20)7-5-13/h4-7,10-11H,3,8-9H2,1-2H3
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n/an/a 1.26n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM107820
PNG
(US8598155, 58)
Show SMILES COc1cc(ccc1-c1c(cnn1C)-c1nc(C)n2ncnc(N3CCC3)c12)C(F)(F)F
Show InChI InChI=1S/C21H20F3N7O/c1-12-28-17(19-20(30-7-4-8-30)25-11-27-31(12)19)15-10-26-29(2)18(15)14-6-5-13(21(22,23)24)9-16(14)32-3/h5-6,9-11H,4,7-8H2,1-3H3
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM47122
PNG
(US8598155, 10 | US8598155, 3)
Show SMILES CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C18H16F3N7/c1-10-26-14(16-17(22-2)23-9-25-28(10)16)13-8-24-27(3)15(13)11-4-6-12(7-5-11)18(19,20)21/h4-9H,1-3H3,(H,22,23,25)
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM130952
PNG
(US8829010, 3)
Show SMILES Cn1ncc(-c2nn(C)c3ncnc(N4CC(F)C4)c23)c1-c1ccc(cc1)C1CC1
Show InChI InChI=1S/C22H22FN7/c1-28-20(15-7-5-14(6-8-15)13-3-4-13)17(9-26-28)19-18-21(29(2)27-19)24-12-25-22(18)30-10-16(23)11-30/h5-9,12-13,16H,3-4,10-11H2,1-2H3
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n/an/a<1.31n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
In the present assay, the activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximi...


US Patent US8829010 (2014)

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


(Homo sapiens (Human))
BDBM107766
PNG
(US8598155, 1)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(C)cc2)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C20H21N7/c1-13-5-7-15(8-6-13)18-16(11-22-25(18)3)17-19-20(26-9-4-10-26)21-12-23-27(19)14(2)24-17/h5-8,11-12H,4,9-10H2,1-3H3
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n/an/a 1.31n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM107806
PNG
(US8598155, 43)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ncc(cc2F)C(F)(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C19H16F4N8/c1-10-28-14(17-18(30-4-3-5-30)25-9-27-31(10)17)12-8-26-29(2)16(12)15-13(20)6-11(7-24-15)19(21,22)23/h6-9H,3-5H2,1-2H3
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n/an/a 1.32n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM50425129
PNG
(CHEMBL2313261)
Show SMILES CCN(CC)CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1
Show InChI InChI=1S/C23H25ClN6O/c1-4-29(5-2)13-12-25-23(31)16-10-11-19-20(14-16)30-21(15(3)26-19)27-28-22(30)17-8-6-7-9-18(17)24/h6-11,14H,4-5,12-13H2,1-3H3,(H,25,31)
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PubMed
n/an/a 1.40n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE2A expressed in Sf9 cells by scintillation proximity assay


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


(Homo sapiens (Human))
BDBM130985
PNG
(US8829010, 36)
Show SMILES Cn1ncc(-c2nn(C)c3ncnc(N4CC[C@@H](C4)S(C)(=O)=O)c23)c1-c1ccc(cc1)C1CC1
Show InChI InChI=1S/C24H27N7O2S/c1-29-22(17-8-6-16(7-9-17)15-4-5-15)19(12-27-29)21-20-23(30(2)28-21)25-14-26-24(20)31-11-10-18(13-31)34(3,32)33/h6-9,12,14-15,18H,4-5,10-11,13H2,1-3H3/t18-/m0/s1
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n/an/a 1.43n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
In the present assay, the activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximi...


US Patent US8829010 (2014)

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


(Homo sapiens (Human))
BDBM107782
PNG
(US8598155, 19)
Show SMILES COc1ccc(nc1)-c1c(cnn1C)-c1nc(C)n2ncnc(N3CCC3)c12
Show InChI InChI=1S/C19H20N8O/c1-12-24-16(18-19(26-7-4-8-26)21-11-23-27(12)18)14-10-22-25(2)17(14)15-6-5-13(28-3)9-20-15/h5-6,9-11H,4,7-8H2,1-3H3
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n/an/a 1.47n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM9049
PNG
(US8829010, 35 | US8829010, 55)
Show SMILES Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N7/c1-28-17(12-4-6-13(7-5-12)20(21,22)23)14(10-26-28)16-15-18(29(2)27-16)24-11-25-19(15)30-8-3-9-30/h4-7,10-11H,3,8-9H2,1-2H3
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n/an/a 1.48n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
In the present assay, the activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximi...


US Patent US8829010 (2014)

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


(Homo sapiens (Human))
BDBM130980
PNG
(US8829010, 31)
Show SMILES CC(=O)N[C@@H]1CCN(C1)c1ncnc2n(C)nc(-c3cnn(C)c3-c3ccc(cc3)C3CC3)c12
Show InChI InChI=1S/C25H28N8O/c1-15(34)29-19-10-11-33(13-19)25-21-22(30-32(3)24(21)26-14-27-25)20-12-28-31(2)23(20)18-8-6-17(7-9-18)16-4-5-16/h6-9,12,14,16,19H,4-5,10-11,13H2,1-3H3,(H,29,34)/t19-/m1/s1
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n/an/a 1.52n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
In the present assay, the activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximi...


US Patent US8829010 (2014)

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


(Homo sapiens (Human))
BDBM107837
PNG
(US8598155, 75)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(C)(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C20H20F2N8/c1-12-27-16(18-19(29-7-4-8-29)24-11-26-30(12)18)14-10-25-28(3)17(14)15-6-5-13(9-23-15)20(2,21)22/h5-6,9-11H,4,7-8H2,1-3H3
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n/an/a 1.55n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM107813
PNG
(US8598155, 50)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(C)c(Cl)c2)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C20H20ClN7/c1-12-5-6-14(9-16(12)21)18-15(10-23-26(18)3)17-19-20(27-7-4-8-27)22-11-24-28(19)13(2)25-17/h5-6,9-11H,4,7-8H2,1-3H3
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n/an/a 1.59n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM107767
PNG
(US8598155, 2)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3
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n/an/a 1.61n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM130958
PNG
(US8829010, 9)
Show SMILES CCc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CCC3)c12
Show InChI InChI=1S/C21H23N7/c1-4-14-6-8-15(9-7-14)19-16(12-24-26(19)2)18-17-20(27(3)25-18)22-13-23-21(17)28-10-5-11-28/h6-9,12-13H,4-5,10-11H2,1-3H3
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n/an/a 1.64n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
In the present assay, the activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximi...


US Patent US8829010 (2014)

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


(Homo sapiens (Human))
BDBM9049
PNG
(US8829010, 35 | US8829010, 55)
Show SMILES Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N7/c1-28-17(12-4-6-13(7-5-12)20(21,22)23)14(10-26-28)16-15-18(29(2)27-16)24-11-25-19(15)30-8-3-9-30/h4-7,10-11H,3,8-9H2,1-2H3
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n/an/a 1.67n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
In the present assay, the activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximi...


US Patent US8829010 (2014)

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


(Homo sapiens (Human))
BDBM107816
PNG
(US8598155, 54)
Show SMILES COc1ccc(-c2c(cnn2C)-c2nc(C)n3ncnc(N4CC(F)C4)c23)c(Cl)c1
Show InChI InChI=1S/C20H19ClFN7O/c1-11-26-17(19-20(23-10-25-29(11)19)28-8-12(22)9-28)15-7-24-27(2)18(15)14-5-4-13(30-3)6-16(14)21/h4-7,10,12H,8-9H2,1-3H3
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n/an/a 1.69n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...


US Patent US8598155 (2013)

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


(Homo sapiens (Human))
BDBM50425130
PNG
(CHEMBL2313260)
Show SMILES Cc1nc2ccc(cc2n2c(nnc12)-c1ccccc1Cl)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H20ClN5O/c1-16-23-29-30-24(19-9-5-6-10-20(19)26)31(23)22-15-18(11-12-21(22)28-16)25(32)27-14-13-17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3,(H,27,32)
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Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE2A expressed in Sf9 cells by scintillation proximity assay


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


(Homo sapiens (Human))
BDBM171933
PNG
(US9085584, 92)
Show SMILES CC(C)c1ccc2nc(C)c3nnc(-c4cc(ccc4F)C4(O)CCC4)n3c2n1
Show InChI InChI=1S/C22H22FN5O/c1-12(2)17-7-8-18-21(25-17)28-19(13(3)24-18)26-27-20(28)15-11-14(5-6-16(15)23)22(29)9-4-10-22/h5-8,11-12,29H,4,9-10H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...


US Patent US9085584 (2015)

More data for this
Ligand-Target Pair
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