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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50048490   
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 4A/4B/4C/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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1.5n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/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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1.60n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218261
PNG
(CHEMBL74631)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OCCCCCc1ccccc1
Show InChI InChI=1S/C26H25Cl2N3O2/c1-32-25-12-11-19-21(15-30-31-24(19)14-20-22(27)16-29-17-23(20)28)26(25)33-13-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-12,15-17H,3,6-7,10,13-14H2,1H3
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13n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218265
PNG
(CHEMBL308407)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1Cc2ccccc2C1
Show InChI InChI=1S/C24H19Cl2N3O2/c1-30-23-7-6-17-19(24(23)31-16-8-14-4-2-3-5-15(14)9-16)11-28-29-22(17)10-18-20(25)12-27-13-21(18)26/h2-7,11-13,16H,8-10H2,1H3
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16n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218262
PNG
(CHEMBL308158)
Show SMILES FC(F)Oc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
Show InChI InChI=1S/C20H17Cl2F2N3O2/c21-15-9-25-10-16(22)13(15)7-17-12-5-6-18(29-20(23)24)19(14(12)8-26-27-17)28-11-3-1-2-4-11/h5-6,8-11,20H,1-4,7H2
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46n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218267
PNG
(CHEMBL74404)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1C#CCCCc1ccccc1
Show InChI InChI=1S/C26H21Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,8-9,12-13,15-17H,3,6,10,14H2,1H3
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71n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50092350
PNG
((5-Cyclopentyloxy-6-methoxy-phthalazin-1-yl)-(3,5-...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
Show InChI InChI=1S/C19H18Cl2N4O2/c1-26-16-7-6-12-13(18(16)27-11-4-2-3-5-11)8-23-25-19(12)24-17-14(20)9-22-10-15(17)21/h6-11H,2-5H2,1H3,(H,22,24,25)
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95n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218264
PNG
(CHEMBL72362)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)n[n+]([O-])cc2c1OC1CCCC1
Show InChI InChI=1S/C20H19Cl2N3O3/c1-27-19-7-6-13-15(20(19)28-12-4-2-3-5-12)11-25(26)24-18(13)8-14-16(21)9-23-10-17(14)22/h6-7,9-12H,2-5,8H2,1H3
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121n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218260
PNG
(CHEMBL70391)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
Show InChI InChI=1S/C20H19Cl2N3O2/c1-26-19-7-6-13-15(20(19)27-12-4-2-3-5-12)9-24-25-18(13)8-14-16(21)10-23-11-17(14)22/h6-7,9-12H,2-5,8H2,1H3
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149n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218268
PNG
(CHEMBL309341)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1\C=C\CCCc1ccccc1
Show InChI InChI=1S/C26H23Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,7-9,11-13,15-17H,3,6,10,14H2,1H3/b11-7+
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164n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218269
PNG
(CHEMBL73640)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCOC1
Show InChI InChI=1S/C19H17Cl2N3O3/c1-25-18-3-2-12-14(19(18)27-11-4-5-26-10-11)7-23-24-17(12)6-13-15(20)8-22-9-16(13)21/h2-3,7-9,11H,4-6,10H2,1H3
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286n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218263
PNG
(CHEMBL419814)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1CCCCCc1ccccc1
Show InChI InChI=1S/C26H25Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,8-9,12-13,15-17H,3,6-7,10-11,14H2,1H3
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320n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/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 1n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218267
PNG
(CHEMBL74404)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1C#CCCCc1ccccc1
Show InChI InChI=1S/C26H21Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,8-9,12-13,15-17H,3,6,10,14H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218268
PNG
(CHEMBL309341)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1\C=C\CCCc1ccccc1
Show InChI InChI=1S/C26H23Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,7-9,11-13,15-17H,3,6,10,14H2,1H3/b11-7+
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n/an/a 19n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218265
PNG
(CHEMBL308407)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1Cc2ccccc2C1
Show InChI InChI=1S/C24H19Cl2N3O2/c1-30-23-7-6-17-19(24(23)31-16-8-14-4-2-3-5-15(14)9-16)11-28-29-22(17)10-18-20(25)12-27-13-21(18)26/h2-7,11-13,16H,8-10H2,1H3
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n/an/a 30n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218263
PNG
(CHEMBL419814)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1CCCCCc1ccccc1
Show InChI InChI=1S/C26H25Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,8-9,12-13,15-17H,3,6-7,10-11,14H2,1H3
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n/an/a 30n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218262
PNG
(CHEMBL308158)
Show SMILES FC(F)Oc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
Show InChI InChI=1S/C20H17Cl2F2N3O2/c21-15-9-25-10-16(22)13(15)7-17-12-5-6-18(29-20(23)24)19(14(12)8-26-27-17)28-11-3-1-2-4-11/h5-6,8-11,20H,1-4,7H2
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n/an/a 39n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218264
PNG
(CHEMBL72362)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)n[n+]([O-])cc2c1OC1CCCC1
Show InChI InChI=1S/C20H19Cl2N3O3/c1-27-19-7-6-13-15(20(19)28-12-4-2-3-5-12)11-25(26)24-18(13)8-14-16(21)9-23-10-17(14)22/h6-7,9-12H,2-5,8H2,1H3
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n/an/a 42n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218260
PNG
(CHEMBL70391)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
Show InChI InChI=1S/C20H19Cl2N3O2/c1-26-19-7-6-13-15(20(19)27-12-4-2-3-5-12)9-24-25-18(13)8-14-16(21)10-23-11-17(14)22/h6-7,9-12H,2-5,8H2,1H3
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n/an/a 53n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218261
PNG
(CHEMBL74631)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OCCCCCc1ccccc1
Show InChI InChI=1S/C26H25Cl2N3O2/c1-32-25-12-11-19-21(15-30-31-24(19)14-20-22(27)16-29-17-23(20)28)26(25)33-13-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-12,15-17H,3,6-7,10,13-14H2,1H3
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n/an/a 57n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50092350
PNG
((5-Cyclopentyloxy-6-methoxy-phthalazin-1-yl)-(3,5-...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
Show InChI InChI=1S/C19H18Cl2N4O2/c1-26-16-7-6-12-13(18(16)27-11-4-2-3-5-11)8-23-25-19(12)24-17-14(20)9-22-10-15(17)21/h6-11H,2-5H2,1H3,(H,22,24,25)
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n/an/a 59n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218269
PNG
(CHEMBL73640)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCOC1
Show InChI InChI=1S/C19H17Cl2N3O3/c1-25-18-3-2-12-14(19(18)27-11-4-5-26-10-11)7-23-24-17(12)6-13-15(20)8-22-9-16(13)21/h2-3,7-9,11H,4-6,10H2,1H3
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n/an/a 153n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218266
PNG
(CHEMBL303880)
Show SMILES COc1cc2cnnc(Cc3c(Cl)cncc3Cl)c2cc1OC1CCCC1
Show InChI InChI=1S/C20H19Cl2N3O2/c1-26-19-6-12-9-24-25-18(7-15-16(21)10-23-11-17(15)22)14(12)8-20(19)27-13-4-2-3-5-13/h6,8-11,13H,2-5,7H2,1H3
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n/an/a 186n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/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 1.68E+3n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)