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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 3A' AND taxid = 9823   
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 3A


(Sus scrofa)
BDBM50038978
PNG
(Benzo[1,3]dioxol-5-ylmethyl-(6,7,8-trimethoxy-quin...)
Show SMILES COc1cc2c(NCc3ccc4OCOc4c3)ncnc2c(OC)c1OC
Show InChI InChI=1S/C19H19N3O5/c1-23-15-7-12-16(18(25-3)17(15)24-2)21-9-22-19(12)20-8-11-4-5-13-14(6-11)27-10-26-13/h4-7,9H,8,10H2,1-3H3,(H,20,21,22)
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n/an/a 360n/an/an/an/an/an/a



Eisai Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cGMP-inhibited PDE 3 from porcine aorta


J Med Chem 37: 2106-11 (1994)

More data for this
Ligand-Target Pair
Phosphodiesterase 3A


(Sus scrofa)
BDBM14754
PNG
(1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...)
Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
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n/an/a 620n/an/an/an/an/an/a



Eisai Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cGMP-inhibited phosphodiesterase from porcine coronary arteries


J Med Chem 36: 3765-70 (1994)

More data for this
Ligand-Target Pair
Phosphodiesterase 3A


(Sus scrofa)
BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
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n/an/a 843n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 3 (PDE3) from porcine platelets, range 0.581-1.23


J Med Chem 43: 2523-9 (2000)

More data for this
Ligand-Target Pair
Phosphodiesterase 3A


(Sus scrofa)
BDBM50089814
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-(4-hydroxy-pi...)
Show SMILES COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C22H22ClN5O2/c1-30-20-5-3-15(11-19(20)23)13-25-21-18-10-14(12-24)2-4-17(18)22(27-26-21)28-8-6-16(29)7-9-28/h2-5,10-11,16,29H,6-9,13H2,1H3,(H,25,26)
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n/an/a 1.75E+4n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 3 (PDE3) from porcine platelets, range 11.4-26.9


J Med Chem 43: 2523-9 (2000)

More data for this
Ligand-Target Pair
Phosphodiesterase 3A


(Sus scrofa)
BDBM23620
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin...)
Show SMILES OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO
Show InChI InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2
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n/an/a 4.40E+4n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 3 (PDE3) from porcine platelets, range 31.8-60.7


J Med Chem 43: 2523-9 (2000)

More data for this
Ligand-Target Pair
Phosphodiesterase 3A


(Sus scrofa)
BDBM50038991
PNG
(Benzo[1,3]dioxol-5-ylmethyl-(6-chloro-quinazolin-4...)
Show SMILES Clc1ccc2ncnc(NCc3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C16H12ClN3O2/c17-11-2-3-13-12(6-11)16(20-8-19-13)18-7-10-1-4-14-15(5-10)22-9-21-14/h1-6,8H,7,9H2,(H,18,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eisai Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cGMP-inhibited PDE 3 from porcine aorta


J Med Chem 37: 2106-11 (1994)

More data for this
Ligand-Target Pair
Phosphodiesterase 3A


(Sus scrofa)
BDBM50038973
PNG
(Benzo[1,3]dioxol-5-ylmethyl-(6-methyl-quinazolin-4...)
Show SMILES Cc1ccc2ncnc(NCc3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C17H15N3O2/c1-11-2-4-14-13(6-11)17(20-9-19-14)18-8-12-3-5-15-16(7-12)22-10-21-15/h2-7,9H,8,10H2,1H3,(H,18,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eisai Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cGMP-inhibited PDE 3 from porcine aorta


J Med Chem 37: 2106-11 (1994)

More data for this
Ligand-Target Pair
Phosphodiesterase 3A


(Sus scrofa)
BDBM50038975
PNG
(Benzo[1,3]dioxol-5-ylmethyl-(6-methylsulfanyl-quin...)
Show SMILES CSc1ccc2ncnc(NCc3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C17H15N3O2S/c1-23-12-3-4-14-13(7-12)17(20-9-19-14)18-8-11-2-5-15-16(6-11)22-10-21-15/h2-7,9H,8,10H2,1H3,(H,18,19,20)
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Eisai Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cGMP-inhibited PDE 3 from porcine aorta


J Med Chem 37: 2106-11 (1994)

More data for this
Ligand-Target Pair
Phosphodiesterase 3A


(Sus scrofa)
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>1.00E+5n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 3 (PDE3) from porcine platelets


J Med Chem 43: 2523-9 (2000)

More data for this
Ligand-Target Pair
Phosphodiesterase 3A


(Sus scrofa)
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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Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 3 (PDE3) from porcine platelets


J Med Chem 43: 2523-9 (2000)

More data for this
Ligand-Target Pair
Phosphodiesterase 3A


(Sus scrofa)
BDBM50038992
PNG
(4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazolin...)
Show SMILES N#Cc1ccc2ncnc(NCc3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C17H12N4O2/c18-7-11-1-3-14-13(5-11)17(21-9-20-14)19-8-12-2-4-15-16(6-12)23-10-22-15/h1-6,9H,8,10H2,(H,19,20,21)
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Eisai Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cGMP-inhibited PDE 3 from porcine aorta


J Med Chem 37: 2106-11 (1994)

More data for this
Ligand-Target Pair
Phosphodiesterase 3A


(Sus scrofa)
BDBM50038978
PNG
(Benzo[1,3]dioxol-5-ylmethyl-(6,7,8-trimethoxy-quin...)
Show SMILES COc1cc2c(NCc3ccc4OCOc4c3)ncnc2c(OC)c1OC
Show InChI InChI=1S/C19H19N3O5/c1-23-15-7-12-16(18(25-3)17(15)24-2)21-9-22-19(12)20-8-11-4-5-13-14(6-11)27-10-26-13/h4-7,9H,8,10H2,1-3H3,(H,20,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eisai Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cGMP-inhibited PDE 3 from porcine aorta


J Med Chem 37: 2106-11 (1994)

More data for this
Ligand-Target Pair
Phosphodiesterase 3A


(Sus scrofa)
BDBM23620
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin...)
Show SMILES OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO
Show InChI InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eisai Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cGMP-inhibited phosphodiesterase from porcine coronary arteries


J Med Chem 36: 3765-70 (1994)

More data for this
Ligand-Target Pair
Phosphodiesterase 3A


(Sus scrofa)
BDBM50038978
PNG
(Benzo[1,3]dioxol-5-ylmethyl-(6,7,8-trimethoxy-quin...)
Show SMILES COc1cc2c(NCc3ccc4OCOc4c3)ncnc2c(OC)c1OC
Show InChI InChI=1S/C19H19N3O5/c1-23-15-7-12-16(18(25-3)17(15)24-2)21-9-22-19(12)20-8-11-4-5-13-14(6-11)27-10-26-13/h4-7,9H,8,10H2,1-3H3,(H,20,21,22)
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Eisai Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cGMP-inhibited phosphodiesterase from porcine coronary arteries


J Med Chem 36: 3765-70 (1994)

More data for this
Ligand-Target Pair
Phosphodiesterase 3A


(Sus scrofa)
BDBM50020874
PNG
((3-Chloro-phenyl)-(4-phenyl-phthalazin-1-yl)-amine...)
Show SMILES Clc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1
Show InChI InChI=1S/C20H14ClN3/c21-15-9-6-10-16(13-15)22-20-18-12-5-4-11-17(18)19(23-24-20)14-7-2-1-3-8-14/h1-13H,(H,22,24)
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Eisai Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cGMP-inhibited phosphodiesterase from porcine coronary arteries


J Med Chem 36: 3765-70 (1994)

More data for this
Ligand-Target Pair
Phosphodiesterase 3A


(Sus scrofa)
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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Eisai Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cGMP-inhibited phosphodiesterase from porcine coronary arteries


J Med Chem 36: 3765-70 (1994)

More data for this
Ligand-Target Pair