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PubMed code 9464356

Compile data set for download or QSAR
Found 24 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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4D


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Phosphodiesterase 4B


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase type 4A (PDE4A).


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50062387
PNG
(3-(3-Cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1=NOC(C1)C(=O)NO |t:16|
Show InChI InChI=1S/C16H20N2O5/c1-21-13-7-6-10(8-14(13)22-11-4-2-3-5-11)12-9-15(23-18-12)16(19)17-20/h6-8,11,15,20H,2-5,9H2,1H3,(H,17,19)
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Phosphodiesterase 4B


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50062387
PNG
(3-(3-Cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1=NOC(C1)C(=O)NO |t:16|
Show InChI InChI=1S/C16H20N2O5/c1-21-13-7-6-10(8-14(13)22-11-4-2-3-5-11)12-9-15(23-18-12)16(19)17-20/h6-8,11,15,20H,2-5,9H2,1H3,(H,17,19)
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n/an/a 2.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase type 4A (PDE4A).


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50062387
PNG
(3-(3-Cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1=NOC(C1)C(=O)NO |t:16|
Show InChI InChI=1S/C16H20N2O5/c1-21-13-7-6-10(8-14(13)22-11-4-2-3-5-11)12-9-15(23-18-12)16(19)17-20/h6-8,11,15,20H,2-5,9H2,1H3,(H,17,19)
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n/an/a 2.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4D


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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n/an/a 3.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4C


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50062381
PNG
(3-(3-Cyclopentyloxy-4-methoxy-phenyl)-5-methyl-4,5...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1=NOC(C)(C1)C(=O)NO |t:16|
Show InChI InChI=1S/C17H22N2O5/c1-17(16(20)18-21)10-13(19-24-17)11-7-8-14(22-2)15(9-11)23-12-5-3-4-6-12/h7-9,12,21H,3-6,10H2,1-2H3,(H,18,20)
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n/an/a 9.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase type 4A (PDE4A).


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50062381
PNG
(3-(3-Cyclopentyloxy-4-methoxy-phenyl)-5-methyl-4,5...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1=NOC(C)(C1)C(=O)NO |t:16|
Show InChI InChI=1S/C17H22N2O5/c1-17(16(20)18-21)10-13(19-24-17)11-7-8-14(22-2)15(9-11)23-12-5-3-4-6-12/h7-9,12,21H,3-6,10H2,1-2H3,(H,18,20)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4D


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
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 10.7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase type 4A (PDE4A).


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50062381
PNG
(3-(3-Cyclopentyloxy-4-methoxy-phenyl)-5-methyl-4,5...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1=NOC(C)(C1)C(=O)NO |t:16|
Show InChI InChI=1S/C17H22N2O5/c1-17(16(20)18-21)10-13(19-24-17)11-7-8-14(22-2)15(9-11)23-12-5-3-4-6-12/h7-9,12,21H,3-6,10H2,1-2H3,(H,18,20)
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n/an/a 10.9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Phosphodiesterase 4B


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50062383
PNG
(3-Cyclopentyloxy-N-hydroxycarbamoylmethyl-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)NCC(=O)NO
Show InChI InChI=1S/C15H20N2O5/c1-21-12-7-6-10(15(19)16-9-14(18)17-20)8-13(12)22-11-4-2-3-5-11/h6-8,11,20H,2-5,9H2,1H3,(H,16,19)(H,17,18)
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n/an/a 15.3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4C


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50062383
PNG
(3-Cyclopentyloxy-N-hydroxycarbamoylmethyl-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)NCC(=O)NO
Show InChI InChI=1S/C15H20N2O5/c1-21-12-7-6-10(15(19)16-9-14(18)17-20)8-13(12)22-11-4-2-3-5-11/h6-8,11,20H,2-5,9H2,1H3,(H,16,19)(H,17,18)
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n/an/a 15.6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4D


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50062383
PNG
(3-Cyclopentyloxy-N-hydroxycarbamoylmethyl-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)NCC(=O)NO
Show InChI InChI=1S/C15H20N2O5/c1-21-12-7-6-10(15(19)16-9-14(18)17-20)8-13(12)22-11-4-2-3-5-11/h6-8,11,20H,2-5,9H2,1H3,(H,16,19)(H,17,18)
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n/an/a 17.9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Phosphodiesterase 4B


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50062387
PNG
(3-(3-Cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1=NOC(C1)C(=O)NO |t:16|
Show InChI InChI=1S/C16H20N2O5/c1-21-13-7-6-10(8-14(13)22-11-4-2-3-5-11)12-9-15(23-18-12)16(19)17-20/h6-8,11,15,20H,2-5,9H2,1H3,(H,17,19)
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4C


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50062379
PNG
(3-Cyclopentyloxy-N-(1-hydroxycarbamoyl-ethyl)-4-me...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)NC(C)C(=O)NO
Show InChI InChI=1S/C16H22N2O5/c1-10(15(19)18-21)17-16(20)11-7-8-13(22-2)14(9-11)23-12-5-3-4-6-12/h7-10,12,21H,3-6H2,1-2H3,(H,17,20)(H,18,19)
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n/an/a 20.2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4D


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50062379
PNG
(3-Cyclopentyloxy-N-(1-hydroxycarbamoyl-ethyl)-4-me...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)NC(C)C(=O)NO
Show InChI InChI=1S/C16H22N2O5/c1-10(15(19)18-21)17-16(20)11-7-8-13(22-2)14(9-11)23-12-5-3-4-6-12/h7-10,12,21H,3-6H2,1-2H3,(H,17,20)(H,18,19)
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n/an/a 22.2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Phosphodiesterase 4B


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50062383
PNG
(3-Cyclopentyloxy-N-hydroxycarbamoylmethyl-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)NCC(=O)NO
Show InChI InChI=1S/C15H20N2O5/c1-21-12-7-6-10(15(19)16-9-14(18)17-20)8-13(12)22-11-4-2-3-5-11/h6-8,11,20H,2-5,9H2,1H3,(H,16,19)(H,17,18)
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n/an/a 27.2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase type 4A (PDE4A).


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
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 31.6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4D


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
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 35.7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Phosphodiesterase 4B


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50062379
PNG
(3-Cyclopentyloxy-N-(1-hydroxycarbamoyl-ethyl)-4-me...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)NC(C)C(=O)NO
Show InChI InChI=1S/C16H22N2O5/c1-10(15(19)18-21)17-16(20)11-7-8-13(22-2)14(9-11)23-12-5-3-4-6-12/h7-10,12,21H,3-6H2,1-2H3,(H,17,20)(H,18,19)
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n/an/a 50.7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase type 4A (PDE4A).


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50062381
PNG
(3-(3-Cyclopentyloxy-4-methoxy-phenyl)-5-methyl-4,5...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1=NOC(C)(C1)C(=O)NO |t:16|
Show InChI InChI=1S/C17H22N2O5/c1-17(16(20)18-21)10-13(19-24-17)11-7-8-14(22-2)15(9-11)23-12-5-3-4-6-12/h7-9,12,21H,3-6,10H2,1-2H3,(H,18,20)
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n/an/a 95.2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4C


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50062379
PNG
(3-Cyclopentyloxy-N-(1-hydroxycarbamoyl-ethyl)-4-me...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)NC(C)C(=O)NO
Show InChI InChI=1S/C16H22N2O5/c1-10(15(19)18-21)17-16(20)11-7-8-13(22-2)14(9-11)23-12-5-3-4-6-12/h7-10,12,21H,3-6H2,1-2H3,(H,17,20)(H,18,19)
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n/an/a 126n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4C


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
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 2.63E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4C


J Med Chem 41: 266-70 (1998)


Article DOI: 10.1021/jm970685m
BindingDB Entry DOI: 10.7270/Q2KD1X11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%