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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4D'   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus)
BDBM50470788
PNG
(CHEMBL278386)
Show SMILES COc1ccc(cc1O[C@@H]1CC2CCC1C2)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H22O4/c1-24-18-9-8-16(14-4-6-15(7-5-14)21(22)23)12-20(18)25-19-11-13-2-3-17(19)10-13/h4-9,12-13,17,19H,2-3,10-11H2,1H3,(H,22,23)/t13?,17?,19-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from mouse brain homogenates


J Med Chem 39: 120-5 (1996)


BindingDB Entry DOI: 10.7270/Q20P12Q4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus)
BDBM50470784
PNG
(CHEMBL282934)
Show SMILES COc1ccc(cc1O[C@H]1CC2CCC1C2)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H22O4/c1-24-18-9-8-16(14-4-6-15(7-5-14)21(22)23)12-20(18)25-19-11-13-2-3-17(19)10-13/h4-9,12-13,17,19H,2-3,10-11H2,1H3,(H,22,23)/t13?,17?,19-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from mouse brain homogenates


J Med Chem 39: 120-5 (1996)


BindingDB Entry DOI: 10.7270/Q20P12Q4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus)
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 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from mouse brain homogenates


J Med Chem 39: 120-5 (1996)


BindingDB Entry DOI: 10.7270/Q20P12Q4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus)
BDBM50470782
PNG
(CHEMBL280185)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C23H21NO3/c1-26-21-11-10-19(15-6-8-16(9-7-15)23(24)25)14-22(21)27-20-12-17-4-2-3-5-18(17)13-20/h2-11,14,20H,12-13H2,1H3,(H2,24,25)
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from mouse brain homogenates


J Med Chem 39: 120-5 (1996)


BindingDB Entry DOI: 10.7270/Q20P12Q4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus)
BDBM50470786
PNG
(CHEMBL21964)
Show SMILES COc1ccc(cc1OC1CCCC1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H20O4/c1-22-17-11-10-15(12-18(17)23-16-4-2-3-5-16)13-6-8-14(9-7-13)19(20)21/h6-12,16H,2-5H2,1H3,(H,20,21)
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n/an/a 9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from mouse brain homogenates


J Med Chem 39: 120-5 (1996)


BindingDB Entry DOI: 10.7270/Q20P12Q4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus)
BDBM50470781
PNG
(CHEMBL281781)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H20O4/c1-26-21-11-10-19(15-6-8-16(9-7-15)23(24)25)14-22(21)27-20-12-17-4-2-3-5-18(17)13-20/h2-11,14,20H,12-13H2,1H3,(H,24,25)
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from mouse brain homogenates


J Med Chem 39: 120-5 (1996)


BindingDB Entry DOI: 10.7270/Q20P12Q4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus)
BDBM50470779
PNG
(CHEMBL21463)
Show SMILES COc1ccc(cc1OC1CCCC1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C19H20O4/c1-22-17-10-9-14(12-18(17)23-16-7-2-3-8-16)13-5-4-6-15(11-13)19(20)21/h4-6,9-12,16H,2-3,7-8H2,1H3,(H,20,21)
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from mouse brain homogenates


J Med Chem 39: 120-5 (1996)


BindingDB Entry DOI: 10.7270/Q20P12Q4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus)
BDBM50470778
PNG
(CHEMBL21839)
Show SMILES COc1ccc(cc1O[C@H](C)CCCc1ccccc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H26O4/c1-18(7-6-10-19-8-4-3-5-9-19)29-24-17-22(15-16-23(24)28-2)20-11-13-21(14-12-20)25(26)27/h3-5,8-9,11-18H,6-7,10H2,1-2H3,(H,26,27)/t18-/m1/s1
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n/an/a 111n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from mouse brain homogenates


J Med Chem 39: 120-5 (1996)


BindingDB Entry DOI: 10.7270/Q20P12Q4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus)
BDBM50470780
PNG
(CHEMBL21305)
Show SMILES COc1ccc(cc1OC1(CCCc2ccccc2)CC1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H26O4/c1-29-23-14-13-22(20-9-11-21(12-10-20)25(27)28)18-24(23)30-26(16-17-26)15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-14,18H,5,8,15-17H2,1H3,(H,27,28)
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n/an/a 129n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from mouse brain homogenates


J Med Chem 39: 120-5 (1996)


BindingDB Entry DOI: 10.7270/Q20P12Q4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus)
BDBM50470783
PNG
(CHEMBL21327)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C20H22O4/c1-22-18-12-11-16(13-19(18)24-17-5-3-4-6-17)14-7-9-15(10-8-14)20(21)23-2/h7-13,17H,3-6H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from mouse brain homogenates


J Med Chem 39: 120-5 (1996)


BindingDB Entry DOI: 10.7270/Q20P12Q4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus)
BDBM50457395
PNG
(CHEMBL4209111)
Show SMILES NC(=O)Cc1ccc(Nc2cc(nc(n2)-c2cccc(Cl)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H14ClF3N4O/c20-13-3-1-2-12(9-13)18-26-15(19(21,22)23)10-17(27-18)25-14-6-4-11(5-7-14)8-16(24)28/h1-7,9-10H,8H2,(H2,24,28)(H,25,26,27)
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n/an/a 130n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Allosteric modulation of mouse PDE4D


J Med Chem 61: 5467-5483 (2018)


BindingDB Entry DOI: 10.7270/Q22B91MK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus)
BDBM50470785
PNG
(CHEMBL422219)
Show SMILES COc1ccc(cc1OCCCCc1ccccc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H24O4/c1-27-22-15-14-21(19-10-12-20(13-11-19)24(25)26)17-23(22)28-16-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-15,17H,5-6,9,16H2,1H3,(H,25,26)
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n/an/a 323n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from mouse brain homogenates


J Med Chem 39: 120-5 (1996)


BindingDB Entry DOI: 10.7270/Q20P12Q4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus)
BDBM50470776
PNG
(CHEMBL280729)
Show SMILES COc1ccc(cc1O[C@@H](C)CCCc1ccccc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H26O4/c1-18(7-6-10-19-8-4-3-5-9-19)29-24-17-22(15-16-23(24)28-2)20-11-13-21(14-12-20)25(26)27/h3-5,8-9,11-18H,6-7,10H2,1-2H3,(H,26,27)/t18-/m0/s1
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n/an/a 653n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from mouse brain homogenates


J Med Chem 39: 120-5 (1996)


BindingDB Entry DOI: 10.7270/Q20P12Q4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus)
BDBM50470787
PNG
(CHEMBL22461)
Show SMILES COc1ccc(cc1OCCCCCc1ccccc1)-c1ccc(C(O)=O)c(C)c1
Show InChI InChI=1S/C26H28O4/c1-19-17-21(12-14-23(19)26(27)28)22-13-15-24(29-2)25(18-22)30-16-8-4-7-11-20-9-5-3-6-10-20/h3,5-6,9-10,12-15,17-18H,4,7-8,11,16H2,1-2H3,(H,27,28)
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n/an/a 1.68E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from mouse brain homogenates


J Med Chem 39: 120-5 (1996)


BindingDB Entry DOI: 10.7270/Q20P12Q4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus)
BDBM50470775
PNG
(CHEMBL22898)
Show SMILES COc1ccc(cc1OC1(CCCc2ccccc2)CC1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C26H27NO3/c1-29-23-14-13-22(20-9-11-21(12-10-20)25(27)28)18-24(23)30-26(16-17-26)15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-14,18H,5,8,15-17H2,1H3,(H2,27,28)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from mouse brain homogenates


J Med Chem 39: 120-5 (1996)


BindingDB Entry DOI: 10.7270/Q20P12Q4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Rattus norvegicus)
BDBM50474148
PNG
(CHEMBL1160096)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCCCCCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
Show InChI InChI=1S/C40H63F4N4O9P/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-23-26-32(49)55-29-31(30-56-58(52,53)54)57-33(50)27-24-21-18-15-13-16-19-22-25-28-46-40(51)34-35(41)37(43)39(47-48-45)38(44)36(34)42/h9-10,31H,2-8,11-30H2,1H3,(H,46,51)(H2,52,53,54)/b10-9+
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n/an/an/an/a 2.35E+4n/an/an/an/a



INSERM U352

Curated by ChEMBL


Assay Description
Activation of PDE4D3 (phosphodiesterase).


J Med Chem 45: 1678-85 (2002)


BindingDB Entry DOI: 10.7270/Q21J9DJ0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Rattus norvegicus)
BDBM50474146
PNG
(CHEMBL1160098)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F)COP(O)(O)=O
Show InChI InChI=1S/C40H63F4N4O9P/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-21-24-27-33(50)57-31(30-56-58(52,53)54)29-55-32(49)26-23-20-17-15-13-16-19-22-25-28-46-40(51)34-35(41)37(43)39(47-48-45)38(44)36(34)42/h9-10,31H,2-8,11-30H2,1H3,(H,46,51)(H2,52,53,54)/b10-9+
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n/an/an/an/a 2.35E+4n/an/an/an/a



INSERM U352

Curated by ChEMBL


Assay Description
Activation of PDE4D3 (phosphodiesterase).


J Med Chem 45: 1678-85 (2002)


BindingDB Entry DOI: 10.7270/Q21J9DJ0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Rattus norvegicus)
BDBM50474147
PNG
(CHEMBL1160097)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCCCCCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
Show InChI InChI=1S/C38H61F4N4O9P/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-30(47)53-27-29(28-54-56(50,51)52)55-31(48)25-22-19-16-13-11-14-17-20-23-26-44-38(49)32-33(39)35(41)37(45-46-43)36(42)34(32)40/h29H,2-28H2,1H3,(H,44,49)(H2,50,51,52)
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n/an/an/an/a 2.42E+4n/an/an/an/a



INSERM U352

Curated by ChEMBL


Assay Description
Activation of PDE4D3 (phosphodiesterase).


J Med Chem 45: 1678-85 (2002)


BindingDB Entry DOI: 10.7270/Q21J9DJ0
More data for this
Ligand-Target Pair