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Compile Data Set for Download or QSAR

Found 75 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 2A'   
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
Phosphodiesterase 2A


(Bos taurus)
BDBM50059037
PNG
((6aR,9aS)-2-(Phenylmethyl)-5,6a,7,8,9,9a-hexahydro...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)[nH]c2C1=O
Show InChI InChI=1S/C18H19N5O/c1-22-17(24)15-16(23-13-9-5-8-12(13)19-18(22)23)21-14(20-15)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,20,21)/t12-,13+/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 2 from bovine aorta


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50059037
PNG
((6aR,9aS)-2-(Phenylmethyl)-5,6a,7,8,9,9a-hexahydro...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)[nH]c2C1=O
Show InChI InChI=1S/C18H19N5O/c1-22-17(24)15-16(23-13-9-5-8-12(13)19-18(22)23)21-14(20-15)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,20,21)/t12-,13+/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM50146545
PNG
(2-[6-(3,4-Dimethoxy-benzylamino)-7-ethyl-7H-purin-...)
Show SMILES CCOC(=O)c1sc(Nc2nc(NCc3ccc(OC)c(OC)c3)c3n(CC)cnc3n2)nc1OC
Show InChI InChI=1S/C23H27N7O5S/c1-6-30-12-25-19-16(30)18(24-11-13-8-9-14(32-3)15(10-13)33-4)26-22(27-19)29-23-28-20(34-5)17(36-23)21(31)35-7-2/h8-10,12H,6-7,11H2,1-5H3,(H2,24,26,27,28,29)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 2 from rat kidney


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50059026
PNG
(5'-Methyl-2'-(biphenylmethyl)-3'-(phenylmethyl)spi...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccc(cc3)-c3ccccc3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C32H31N5O/c1-35-30(38)28-29(37-22-32(34-31(35)37)18-8-9-19-32)33-27(36(28)21-24-10-4-2-5-11-24)20-23-14-16-26(17-15-23)25-12-6-3-7-13-25/h2-7,10-17H,8-9,18-22H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50059044
PNG
((6aR,9aS)-2-(Biphenylmethyl)-5,6a,7,8,9,9a-hexahyd...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccc(cc3)-c3ccccc3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C31H29N5O/c1-34-30(37)28-29(36-26-14-8-13-25(26)32-31(34)36)33-27(35(28)20-22-9-4-2-5-10-22)19-21-15-17-24(18-16-21)23-11-6-3-7-12-23/h2-7,9-12,15-18,25-26H,8,13-14,19-20H2,1H3/t25-,26+/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50100673
PNG
(CHEMBL538498 | methyl 2-(4-aminophenyl)-4-(4-bromo...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(Br)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C31H26BrN3O6/c1-38-25-14-18(15-26(39-2)28(25)32)27-23-12-11-22(41-17-20-6-4-5-13-34-20)16-24(23)30(36)35(29(27)31(37)40-3)21-9-7-19(33)8-10-21/h4-16H,17,33H2,1-3H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal gland Phosphodiesterase 2 (PDE2)


J Med Chem 44: 2204-18 (2001)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM50033293
PNG
(Benzyl-(2-imidazol-1-yl-6-methoxy-quinazolin-4-yl)...)
Show SMILES COc1ccc2nc(nc(NCc3ccccc3)c2c1)-n1ccnc1
Show InChI InChI=1S/C19H17N5O/c1-25-15-7-8-17-16(11-15)18(21-12-14-5-3-2-4-6-14)23-19(22-17)24-10-9-20-13-24/h2-11,13H,12H2,1H3,(H,21,22,23)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat brain Phosphodiesterase 2


J Med Chem 38: 3547-57 (1995)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM50033312
PNG
(Benzyl-(6-chloro-2-imidazol-1-yl-quinazolin-4-yl)-...)
Show SMILES Clc1ccc2nc(nc(NCc3ccccc3)c2c1)-n1ccnc1
Show InChI InChI=1S/C18H14ClN5/c19-14-6-7-16-15(10-14)17(21-11-13-4-2-1-3-5-13)23-18(22-16)24-9-8-20-12-24/h1-10,12H,11H2,(H,21,22,23)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat brain Phosphodiesterase 2


J Med Chem 38: 3547-57 (1995)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM50033306
PNG
(Benzyl-(6-nitro-2-pyridin-3-yl-quinazolin-4-yl)-am...)
Show SMILES [O-][N+](=O)c1ccc2nc(nc(NCc3ccccc3)c2c1)-c1cccnc1
Show InChI InChI=1S/C20H15N5O2/c26-25(27)16-8-9-18-17(11-16)20(22-12-14-5-2-1-3-6-14)24-19(23-18)15-7-4-10-21-13-15/h1-11,13H,12H2,(H,22,23,24)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat brain Phosphodiesterase 2


J Med Chem 38: 3547-57 (1995)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50059061
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-5-methyl-2-(phen...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C#Cc3ccccc3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C26H23N5O/c1-29-25(32)23-24(31-21-14-8-13-20(21)27-26(29)31)28-22(16-15-18-9-4-2-5-10-18)30(23)17-19-11-6-3-7-12-19/h2-7,9-12,20-21H,8,13-14,17H2,1H3/t20-,21+/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50100674
PNG
(CHEMBL541818 | methyl 2-(4-aminophenyl)-4-(3,5-dim...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(C)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O6/c1-19-27(38-2)15-20(16-28(19)39-3)29-25-13-12-24(41-18-22-7-5-6-14-34-22)17-26(25)31(36)35(30(29)32(37)40-4)23-10-8-21(33)9-11-23/h5-17H,18,33H2,1-4H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal gland Phosphodiesterase 2 (PDE2)


J Med Chem 44: 2204-18 (2001)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50040375
PNG
(1,3-Bis(cyclopropylmethyl)-8-bis[(4-nitrophenylsul...)
Show SMILES Cn1c(nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12)N(S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H25N7O10S2/c1-28-22-23(29(14-16-2-3-16)26(35)30(24(22)34)15-17-4-5-17)27-25(28)33(44(40,41)20-10-6-18(7-11-20)31(36)37)45(42,43)21-12-8-19(9-13-21)32(38)39/h6-13,16-17H,2-5,14-15H2,1H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 2 at 100 uM


J Med Chem 37: 476-85 (1994)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A (PDE2A2)


(Homo sapiens (Human))
BDBM86644
PNG
(BC11-38-2 | US9173884, BC11-38-2)
Show SMILES CCC(C)Sc1nc2CCSc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C16H18N2OS2/c1-3-11(2)21-16-17-13-9-10-20-14(13)15(19)18(16)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
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US Patent
n/an/a 8.40E+3n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50100662
PNG
(CHEMBL553371 | CHEMBL77971 | methyl 2-(4-aminophen...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-19(16-27(39-2)30(26)40-3)28-24-13-12-23(42-18-21-7-5-6-14-34-21)17-25(24)31(36)35(29(28)32(37)41-4)22-10-8-20(33)9-11-22/h5-17H,18,33H2,1-4H3
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n/an/a 9.70E+3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-2 (PDE2) isolated from bovine adrenal gland


Bioorg Med Chem Lett 13: 2341-5 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50100662
PNG
(CHEMBL553371 | CHEMBL77971 | methyl 2-(4-aminophen...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-19(16-27(39-2)30(26)40-3)28-24-13-12-23(42-18-21-7-5-6-14-34-21)17-25(24)31(36)35(29(28)32(37)41-4)22-10-8-20(33)9-11-22/h5-17H,18,33H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal gland Phosphodiesterase 2 (PDE2)


J Med Chem 44: 2204-18 (2001)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM50421642
PNG
(CHEMBL516604)
Show SMILES COc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C11H16N4O3/c1-6(2)5-15-8-7(12-10(13-8)18-4)9(16)14(3)11(15)17/h6H,5H2,1-4H3,(H,12,13)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 2 from rat kidney


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal gland Phosphodiesterase 2 (PDE2)


J Med Chem 44: 2204-18 (2001)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 2 from rat kidney


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 2 from rat kidney


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM14769
PNG
(6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-...)
Show SMILES COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 2 from rat kidney


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50100670
PNG
(CHEMBL553786 | methyl 2-(4-aminophenyl)-1-oxo-7-(4...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccncc3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-20(16-27(39-2)30(26)40-3)28-24-10-9-23(42-18-19-11-13-34-14-12-19)17-25(24)31(36)35(29(28)32(37)41-4)22-7-5-21(33)6-8-22/h5-17H,18,33H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal gland Phosphodiesterase 2 (PDE2)


J Med Chem 44: 2204-18 (2001)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50100656
PNG
(2-(4-Amino-phenyl)-7-benzyloxy-1-oxo-4-(3,4,5-trim...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccc3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C33H30N2O7/c1-38-27-16-21(17-28(39-2)31(27)40-3)29-25-15-14-24(42-19-20-8-6-5-7-9-20)18-26(25)32(36)35(30(29)33(37)41-4)23-12-10-22(34)11-13-23/h5-18H,19,34H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal gland Phosphodiesterase 2 (PDE2)


J Med Chem 44: 2204-18 (2001)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50100659
PNG
(CHEMBL544289 | methyl 2-(4-aminophenyl)-1-oxo-7-(3...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3cccnc3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-14-20(15-27(39-2)30(26)40-3)28-24-12-11-23(42-18-19-6-5-13-34-17-19)16-25(24)31(36)35(29(28)32(37)41-4)22-9-7-21(33)8-10-22/h5-17H,18,33H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal gland Phosphodiesterase 2 (PDE2)


J Med Chem 44: 2204-18 (2001)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM15297
PNG
(CHEMBL34431 | Cilostamide | N-Cyclohexyl-N-methyl-...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1
Show InChI InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 2 from rat kidney


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50059063
PNG
(1-{4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-6-chlor...)
Show SMILES OC(=O)C1CCN(CC1)c1nc(NCc2ccc3OCOc3c2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C22H21ClN4O4/c23-15-2-3-17-16(10-15)20(24-11-13-1-4-18-19(9-13)31-12-30-18)26-22(25-17)27-7-5-14(6-8-27)21(28)29/h1-4,9-10,14H,5-8,11-12H2,(H,28,29)(H,24,25,26)
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n/an/a 1.09E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50061899
PNG
(2',5'-Dimethyl-3'-(phenylmethyl)spiro[cyclopentane...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nn(C)c(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C20H23N5O/c1-23-18(26)16-15(12-14-8-4-3-5-9-14)24(2)22-17(16)25-13-20(21-19(23)25)10-6-7-11-20/h3-5,8-9H,6-7,10-13H2,1-2H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 2 from bovine adrenal cortex


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50059062
PNG
((6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl...)
Show SMILES CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C17H25N5O/c1-3-4-5-6-10-13-19-14-15(20-13)22-12-9-7-8-11(12)18-17(22)21(2)16(14)23/h11-12H,3-10H2,1-2H3,(H,19,20)/t11-,12+/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50059052
PNG
(5'-Methyl-2'-(cyclopentylmethyl)spiro[cyclopentane...)
Show SMILES CN1C2=NC3(CCCC3)CN2C2NC(CC3CCCC3)N=C2C1=O
Show InChI InChI=1S/C18H27N5O/c1-22-16(24)14-15(20-13(19-14)10-12-6-2-3-7-12)23-11-18(21-17(22)23)8-4-5-9-18/h12-13,15,20H,2-11H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM50033302
PNG
(Benzyl-(2-pyridin-4-yl-quinazolin-4-yl)-amine | CH...)
Show SMILES C(Nc1nc(nc2ccccc12)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C20H16N4/c1-2-6-15(7-3-1)14-22-20-17-8-4-5-9-18(17)23-19(24-20)16-10-12-21-13-11-16/h1-13H,14H2,(H,22,23,24)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat brain Phosphodiesterase 2


J Med Chem 38: 3547-57 (1995)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM86644
PNG
(BC11-38-2 | US9173884, BC11-38-2)
Show SMILES CCC(C)Sc1nc2CCSc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C16H18N2OS2/c1-3-11(2)21-16-17-13-9-10-20-14(13)15(19)18(16)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
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n/an/a 1.84E+4n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM50033284
PNG
(Benzyl-(2-pyridin-3-yl-quinazolin-4-yl)-amine | CH...)
Show SMILES C(Nc1nc(nc2ccccc12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C20H16N4/c1-2-7-15(8-3-1)13-22-20-17-10-4-5-11-18(17)23-19(24-20)16-9-6-12-21-14-16/h1-12,14H,13H2,(H,22,23,24)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat brain Phosphodiesterase 2


J Med Chem 38: 3547-57 (1995)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM50033291
PNG
(Benzyl-(2-thiophen-2-yl-quinazolin-4-yl)-amine | C...)
Show SMILES C(Nc1nc(nc2ccccc12)-c1cccs1)c1ccccc1
Show InChI InChI=1S/C19H15N3S/c1-2-7-14(8-3-1)13-20-18-15-9-4-5-10-16(15)21-19(22-18)17-11-6-12-23-17/h1-12H,13H2,(H,20,21,22)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat brain Phosphodiesterase 2


J Med Chem 38: 3547-57 (1995)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM50033296
PNG
(Benzyl-(2-phenyl-quinazolin-4-yl)-amine | CHEMBL72...)
Show SMILES C(Nc1nc(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17N3/c1-3-9-16(10-4-1)15-22-21-18-13-7-8-14-19(18)23-20(24-21)17-11-5-2-6-12-17/h1-14H,15H2,(H,22,23,24)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat brain Phosphodiesterase 2


J Med Chem 38: 3547-57 (1995)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM50404744
PNG
(CHEMBL19047)
Show SMILES BrCCOc1cc(OCCBr)c2c(c1)oc(-c1ccc(OCCBr)c(OCCBr)c1)c(OCCBr)c2=O
Show InChI InChI=1S/C25H25Br5O7/c26-3-8-32-17-14-20(35-11-6-29)22-21(15-17)37-24(25(23(22)31)36-12-7-30)16-1-2-18(33-9-4-27)19(13-16)34-10-5-28/h1-2,13-15H,3-12H2
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n/an/a 2.45E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat brain particulate cGMP phosphodiesterase


J Med Chem 25: 1192-8 (1983)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM50033290
PNG
(Benzyl-(2-imidazol-1-yl-quinazolin-4-yl)-amine | C...)
Show SMILES C(Nc1nc(nc2ccccc12)-n1ccnc1)c1ccccc1
Show InChI InChI=1S/C18H15N5/c1-2-6-14(7-3-1)12-20-17-15-8-4-5-9-16(15)21-18(22-17)23-11-10-19-13-23/h1-11,13H,12H2,(H,20,21,22)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat brain Phosphodiesterase 2


J Med Chem 38: 3547-57 (1995)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50059028
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-2,5-dimethyl-cyc...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C)[nH]c2C1=O
Show InChI InChI=1S/C12H15N5O/c1-6-13-9-10(14-6)17-8-5-3-4-7(8)15-12(17)16(2)11(9)18/h7-8H,3-5H2,1-2H3,(H,13,14)/t7-,8+/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50059024
PNG
((6aR,9aS)-2-(Cyclopentylmethyl)-5,6a,7,8,9,9a-hexa...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CC3CCCC3)[nH]c2C1=O
Show InChI InChI=1S/C17H23N5O/c1-21-16(23)14-15(20-13(19-14)9-10-5-2-3-6-10)22-12-8-4-7-11(12)18-17(21)22/h10-12H,2-9H2,1H3,(H,19,20)/t11-,12+/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50059054
PNG
(5'-Methyl-2'-phenyl-3'-(phenylmethyl)spiro[cyclope...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccccc3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C25H25N5O/c1-28-23(31)20-22(30-17-25(27-24(28)30)14-8-9-15-25)26-21(19-12-6-3-7-13-19)29(20)16-18-10-4-2-5-11-18/h2-7,10-13H,8-9,14-17H2,1H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM86643
PNG
(BC11-38-1 | US9173884, BC11-38-1)
Show SMILES CCCCSc1nc2CCSc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C16H18N2OS2/c1-2-3-10-21-16-17-13-9-11-20-14(13)15(19)18(16)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Boston College



Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50130021
PNG
(7-(2-Methyl-pyridin-4-ylmethyl)-8-oxo-2-(pyridin-2...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C32H30N4O7/c1-19-14-20(11-13-33-19)17-36-29(32(38)42-5)27(21-15-24(39-2)30(41-4)25(16-21)40-3)23-9-10-26(35-28(23)31(36)37)43-18-22-8-6-7-12-34-22/h6-16H,17-18H2,1-5H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-2 (PDE2) isolated from bovine adrenal gland


Bioorg Med Chem Lett 13: 2341-5 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A (PDE2A2)


(Homo sapiens (Human))
BDBM86643
PNG
(BC11-38-1 | US9173884, BC11-38-1)
Show SMILES CCCCSc1nc2CCSc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C16H18N2OS2/c1-2-3-10-21-16-17-13-9-11-20-14(13)15(19)18(16)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
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US Patent
n/an/a 4.00E+4n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a 4.30E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-2 (PDE2) isolated from bovine adrenal gland


Bioorg Med Chem Lett 13: 2341-5 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM50404740
PNG
(CHEMBL436338)
Show SMILES CCOc1cc(OCC(O)=O)c2c(c1)oc(-c1ccc(OCC)c(OCC)c1)c(OCC)c2=O
Show InChI InChI=1S/C25H28O9/c1-5-29-16-12-19(33-14-21(26)27)22-20(13-16)34-24(25(23(22)28)32-8-4)15-9-10-17(30-6-2)18(11-15)31-7-3/h9-13H,5-8,14H2,1-4H3,(H,26,27)
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n/an/a 4.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat brain particulate cGMP phosphodiesterase


J Med Chem 25: 1192-8 (1983)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM50033287
PNG
(Benzyl-(6-chloro-2-pyridin-3-yl-quinazolin-4-yl)-a...)
Show SMILES Clc1ccc2nc(nc(NCc3ccccc3)c2c1)-c1cccnc1
Show InChI InChI=1S/C20H15ClN4/c21-16-8-9-18-17(11-16)20(23-12-14-5-2-1-3-6-14)25-19(24-18)15-7-4-10-22-13-15/h1-11,13H,12H2,(H,23,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat brain Phosphodiesterase 2


J Med Chem 38: 3547-57 (1995)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50242771
PNG
(8-Benzyl-2-methyl-4-(N-methylamino)pyrazolo[1,5-a]...)
Show SMILES CNc1nc(C)nc2c(Cc3ccccc3)cnn12
Show InChI InChI=1S/C14H15N5/c1-10-17-13-12(8-11-6-4-3-5-7-11)9-16-19(13)14(15-2)18-10/h3-7,9H,8H2,1-2H3,(H,15,17,18)
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n/an/a 5.60E+4n/an/an/an/an/an/a



Université Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of bovine aorta PDE2 in presence of cGMP


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM14363
PNG
(3-(2-propoxyphenyl)-2,4,7,8,9-pentazabicyclo[4.3.0...)
Show SMILES CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
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n/an/a 6.31E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat brain particulate cGMP phosphodiesterase


J Med Chem 25: 1192-8 (1983)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM50404743
PNG
(CHEMBL273765)
Show SMILES CCOc1cc(OCC)c2c(c1)oc(-c1ccc(OCC)c(OCC)c1)c(OCC(O)=O)c2=O
Show InChI InChI=1S/C25H28O9/c1-5-29-16-12-19(32-8-4)22-20(13-16)34-24(25(23(22)28)33-14-21(26)27)15-9-10-17(30-6-2)18(11-15)31-7-3/h9-13H,5-8,14H2,1-4H3,(H,26,27)
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n/an/a 7.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat brain particulate cGMP phosphodiesterase


J Med Chem 25: 1192-8 (1983)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50130016
PNG
(8-(2-Hydroxy-ethylamino)-2-(2-methyl-pyridin-4-ylm...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(NCCO)c2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C28H30N4O7/c1-16-12-17(6-8-29-16)15-32-24(28(35)39-5)22(18-13-20(36-2)25(38-4)21(14-18)37-3)19-7-9-30-26(31-10-11-33)23(19)27(32)34/h6-9,12-14,33H,10-11,15H2,1-5H3,(H,30,31)
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n/an/a 7.80E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-2 (PDE2) isolated from bovine adrenal gland


Bioorg Med Chem Lett 13: 2341-5 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM50404745
PNG
(CHEMBL18262)
Show SMILES CCOc1cc(OCCN(CC)CC)c2c(c1)oc(-c1ccc(OCC)c(OCC)c1)c(OCC)c2=O
Show InChI InChI=1S/C29H39NO7/c1-7-30(8-2)15-16-36-24-18-21(32-9-3)19-25-26(24)27(31)29(35-12-6)28(37-25)20-13-14-22(33-10-4)23(17-20)34-11-5/h13-14,17-19H,7-12,15-16H2,1-6H3
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n/an/a 8.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat brain particulate cGMP phosphodiesterase


J Med Chem 25: 1192-8 (1983)

More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 8.13E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat brain particulate cGMP phosphodiesterase


J Med Chem 25: 1192-8 (1983)

More data for this
Ligand-Target Pair
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