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Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'hellewell' and Initial = 'pg'   
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))
BDBM50218255
PNG
(CHEMBL290100)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H12Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-7H,1-2H3,(H,20,21,23)
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n/an/a 1.60n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218257
PNG
(CHEMBL69874)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(=O)c1ccncc1
Show InChI InChI=1S/C21H13Cl2N3O4/c1-29-16-3-2-12(21(28)26-18-14(22)9-25-10-15(18)23)13-8-17(30-20(13)16)19(27)11-4-6-24-7-5-11/h2-10H,1H3,(H,25,26,28)
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n/an/a 2.40n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218258
PNG
(CHEMBL70146)
Show SMILES COc1ccc(C(=O)Nc2ccncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)15-7-11-10(3-4-14(23-2)16(11)24-15)17(22)20-13-5-6-19-8-12(13)18/h3-8H,1-2H3,(H,19,20,22)
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n/an/a 6.30n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218245
PNG
(CHEMBL65799)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C#N
Show InChI InChI=1S/C16H9Cl2N3O3/c1-23-13-3-2-9(10-4-8(5-19)24-15(10)13)16(22)21-14-11(17)6-20-7-12(14)18/h2-4,6-7H,1H3,(H,20,21,22)
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n/an/a 6.5n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218245
PNG
(CHEMBL65799)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C#N
Show InChI InChI=1S/C16H9Cl2N3O3/c1-23-13-3-2-9(10-4-8(5-19)24-15(10)13)16(22)21-14-11(17)6-20-7-12(14)18/h2-4,6-7H,1H3,(H,20,21,22)
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n/an/a 6.80n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218257
PNG
(CHEMBL69874)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(=O)c1ccncc1
Show InChI InChI=1S/C21H13Cl2N3O4/c1-29-16-3-2-12(21(28)26-18-14(22)9-25-10-15(18)23)13-8-17(30-20(13)16)19(27)11-4-6-24-7-5-11/h2-10H,1H3,(H,25,26,28)
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n/an/a 8.10n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218246
PNG
(CHEMBL68323)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)O
Show InChI InChI=1S/C17H14Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-8,22H,1-2H3,(H,20,21,23)
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n/an/a 8.60n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50213867
PNG
(CHEMBL329303)
Show SMILES COC(=O)c1cccc(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C20H16N4O4/c1-28-19(26)14-8-5-9-15(10-14)24-17-16(21-12-22-17)18(25)23(20(24)27)11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,21,22)
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n/an/a 9n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding


Bioorg Med Chem Lett 8: 2925-30 (1998)


BindingDB Entry DOI: 10.7270/Q2Z89FKG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50214164
PNG
(CHEMBL100011)
Show SMILES COc1cccc(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C19H16N4O3/c1-26-15-9-5-8-14(10-15)23-17-16(20-12-21-17)18(24)22(19(23)25)11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,20,21)
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n/an/a 17n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding


Bioorg Med Chem Lett 8: 2925-30 (1998)


BindingDB Entry DOI: 10.7270/Q2Z89FKG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218249
PNG
(CHEMBL304051)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(CC(C)(C)C)oc12
Show InChI InChI=1S/C20H20Cl2N2O3/c1-20(2,3)8-11-7-13-12(5-6-16(26-4)18(13)27-11)19(25)24-17-14(21)9-23-10-15(17)22/h5-7,9-10H,8H2,1-4H3,(H,23,24,25)
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n/an/a 17n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218246
PNG
(CHEMBL68323)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)O
Show InChI InChI=1S/C17H14Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-8,22H,1-2H3,(H,20,21,23)
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n/an/a 19n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
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 20n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Relative inhibition of phosphodiesterase 4 activity and Rolipram binding to PDE4


Bioorg Med Chem Lett 8: 2635-40 (1999)


BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(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 20n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218259
PNG
(CHEMBL67898)
Show SMILES CCc1cc2c(ccc(OC)c2o1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2N2O3/c1-3-9-6-11-10(4-5-14(23-2)16(11)24-9)17(22)21-15-12(18)7-20-8-13(15)19/h4-8H,3H2,1-2H3,(H,20,21,22)
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n/an/a 23n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
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 25n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rolipram binding to PDE4 at 1 uM


Bioorg Med Chem Lett 8: 2629-34 (1998)


BindingDB Entry DOI: 10.7270/Q2M32XZQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218259
PNG
(CHEMBL67898)
Show SMILES CCc1cc2c(ccc(OC)c2o1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2N2O3/c1-3-9-6-11-10(4-5-14(23-2)16(11)24-9)17(22)21-15-12(18)7-20-8-13(15)19/h4-8H,3H2,1-2H3,(H,20,21,22)
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n/an/a 27n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218258
PNG
(CHEMBL70146)
Show SMILES COc1ccc(C(=O)Nc2ccncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)15-7-11-10(3-4-14(23-2)16(11)24-15)17(22)20-13-5-6-19-8-12(13)18/h3-8H,1-2H3,(H,19,20,22)
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n/an/a 32n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain tissue


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50214288
PNG
(CHEMBL98483)
Show SMILES Clc1cccc(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C18H13ClN4O2/c19-13-7-4-8-14(9-13)23-16-15(20-11-21-16)17(24)22(18(23)25)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,20,21)
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n/an/a 42n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4


Bioorg Med Chem Lett 8: 2925-30 (1998)


BindingDB Entry DOI: 10.7270/Q2Z89FKG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218255
PNG
(CHEMBL290100)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H12Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-7H,1-2H3,(H,20,21,23)
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n/an/a 43n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218248
PNG
(CHEMBL69776)
Show SMILES COc1ccc(C(=O)Nc2ccccc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C18H14ClNO4/c1-10(21)16-9-12-11(7-8-15(23-2)17(12)24-16)18(22)20-14-6-4-3-5-13(14)19/h3-9H,1-2H3,(H,20,22)
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n/an/a 54n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218244
PNG
(CHEMBL66233)
Show SMILES COc1ccc(C(=O)Nc2ncncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C16H12ClN3O4/c1-8(21)13-5-10-9(3-4-12(23-2)14(10)24-13)16(22)20-15-11(17)6-18-7-19-15/h3-7H,1-2H3,(H,18,19,20,22)
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Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain tissue


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218249
PNG
(CHEMBL304051)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(CC(C)(C)C)oc12
Show InChI InChI=1S/C20H20Cl2N2O3/c1-20(2,3)8-11-7-13-12(5-6-16(26-4)18(13)27-11)19(25)24-17-14(21)9-23-10-15(17)22/h5-7,9-10H,8H2,1-4H3,(H,23,24,25)
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Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50214284
PNG
(CHEMBL420265)
Show SMILES O=c1n(Cc2ccccc2)c(=O)c2[nH]cnc2n1-c1ccccc1
Show InChI InChI=1S/C18H14N4O2/c23-17-15-16(20-12-19-15)22(14-9-5-2-6-10-14)18(24)21(17)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,19,20)
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Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding


Bioorg Med Chem Lett 8: 2925-30 (1998)


BindingDB Entry DOI: 10.7270/Q2Z89FKG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218247
PNG
(CHEMBL66798)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cc(cc2Cl)C#N)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C19H12Cl2N2O4/c1-9(24)16-7-12-11(3-4-15(26-2)18(12)27-16)19(25)23-17-13(20)5-10(8-22)6-14(17)21/h3-7H,1-2H3,(H,23,25)
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Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218256
PNG
(CHEMBL70145)
Show SMILES COc1ccc(C(=O)Nc2ccncc2)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H14N2O4/c1-10(20)15-9-13-12(3-4-14(22-2)16(13)23-15)17(21)19-11-5-7-18-8-6-11/h3-9H,1-2H3,(H,18,19,21)
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Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218250
PNG
(CHEMBL305176)
Show SMILES COc1ccc(C(=O)N(C)c2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C18H14Cl2N2O4/c1-9(23)15-6-11-10(4-5-14(25-3)17(11)26-15)18(24)22(2)16-12(19)7-21-8-13(16)20/h4-8H,1-3H3
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Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain tissue


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218254
PNG
(CHEMBL302799)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c(C)c(oc12)C(C)=O
Show InChI InChI=1S/C18H14Cl2N2O4/c1-8-14-10(18(24)22-15-11(19)6-21-7-12(15)20)4-5-13(25-3)17(14)26-16(8)9(2)23/h4-7H,1-3H3,(H,21,22,24)
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Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain tissue


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218244
PNG
(CHEMBL66233)
Show SMILES COc1ccc(C(=O)Nc2ncncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C16H12ClN3O4/c1-8(21)13-5-10-9(3-4-12(23-2)14(10)24-13)16(22)20-15-11(17)6-18-7-19-15/h3-7H,1-2H3,(H,18,19,20,22)
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Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218253
PNG
(CHEMBL70090)
Show SMILES COc1ccc(C(=O)Nc2cccnc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)14-8-11-10(5-6-13(23-2)15(11)24-14)17(22)20-12-4-3-7-19-16(12)18/h3-8H,1-2H3,(H,20,22)
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Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain tissue


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50214287
PNG
(CHEMBL316499)
Show SMILES Fc1ccccc1-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O |(7.14,-7.47,;5.84,-8.29,;5.88,-9.83,;4.58,-10.64,;3.23,-9.92,;3.17,-8.38,;4.49,-7.58,;4.43,-6.04,;5.74,-5.21,;7.21,-5.64,;8.07,-4.37,;7.14,-3.17,;5.69,-3.68,;4.32,-2.96,;4.28,-1.42,;3.03,-3.79,;1.66,-3.06,;1.61,-1.52,;2.91,-.71,;2.85,.82,;1.49,1.54,;.19,.72,;.24,-.82,;3.09,-5.32,;1.78,-6.14,)|
Show InChI InChI=1S/C18H13FN4O2/c19-13-8-4-5-9-14(13)23-16-15(20-11-21-16)17(24)22(18(23)25)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,20,21)
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Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding


Bioorg Med Chem Lett 8: 2925-30 (1998)


BindingDB Entry DOI: 10.7270/Q2Z89FKG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218247
PNG
(CHEMBL66798)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cc(cc2Cl)C#N)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C19H12Cl2N2O4/c1-9(24)16-7-12-11(3-4-15(26-2)18(12)27-16)19(25)23-17-13(20)5-10(8-22)6-14(17)21/h3-7H,1-2H3,(H,23,25)
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Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain tissue


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218248
PNG
(CHEMBL69776)
Show SMILES COc1ccc(C(=O)Nc2ccccc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C18H14ClNO4/c1-10(21)16-9-12-11(7-8-15(23-2)17(12)24-16)18(22)20-14-6-4-3-5-13(14)19/h3-9H,1-2H3,(H,20,22)
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Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain tissue


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218256
PNG
(CHEMBL70145)
Show SMILES COc1ccc(C(=O)Nc2ccncc2)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H14N2O4/c1-10(20)15-9-13-12(3-4-14(22-2)16(13)23-15)17(21)19-11-5-7-18-8-6-11/h3-9H,1-2H3,(H,18,19,21)
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Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain tissue


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50214509
PNG
(CHEMBL101301)
Show SMILES Nc1cccc(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C18H15N5O2/c19-13-7-4-8-14(9-13)23-16-15(20-11-21-16)17(24)22(18(23)25)10-12-5-2-1-3-6-12/h1-9,11H,10,19H2,(H,20,21)
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Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding


Bioorg Med Chem Lett 8: 2925-30 (1998)


BindingDB Entry DOI: 10.7270/Q2Z89FKG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218254
PNG
(CHEMBL302799)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c(C)c(oc12)C(C)=O
Show InChI InChI=1S/C18H14Cl2N2O4/c1-8-14-10(18(24)22-15-11(19)6-21-7-12(15)20)4-5-13(25-3)17(14)26-16(8)9(2)23/h4-7H,1-3H3,(H,21,22,24)
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Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218250
PNG
(CHEMBL305176)
Show SMILES COc1ccc(C(=O)N(C)c2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C18H14Cl2N2O4/c1-9(23)15-6-11-10(4-5-14(25-3)17(11)26-15)18(24)22(2)16-12(19)7-21-8-13(16)20/h4-8H,1-3H3
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Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218251
PNG
(CHEMBL66285)
Show SMILES COc1ccc(C(=O)Nc2ncccc2C)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C18H16N2O4/c1-10-5-4-8-19-17(10)20-18(22)12-6-7-14(23-3)16-13(12)9-15(24-16)11(2)21/h4-9H,1-3H3,(H,19,20,22)
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Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216236
PNG
(CHEMBL89860)
Show SMILES CCn1cc(C(=O)NCCc2ccncc2)c(=S)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3OS/c1-2-26-12-16(19(27)25-10-7-13-5-8-24-9-6-13)18(28)15-11-14(20(21,22)23)3-4-17(15)26/h3-6,8-9,11-12H,2,7,10H2,1H3,(H,25,27)
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Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2629-34 (1998)


BindingDB Entry DOI: 10.7270/Q2M32XZQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216262
PNG
(CHEMBL90278)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1ccc2ccccc2c1=O
Show InChI InChI=1S/C17H15NO5S/c1-22-15-8-7-13(11-16(15)23-2)24(20,21)18-10-9-12-5-3-4-6-14(12)17(18)19/h3-11H,1-2H3
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n/an/a 500n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216272
PNG
(CHEMBL415474)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1c2ccccc2c(cc1=O)-c1ccccc1
Show InChI InChI=1S/C23H19NO5S/c1-28-21-13-12-17(14-22(21)29-2)30(26,27)24-20-11-7-6-10-18(20)19(15-23(24)25)16-8-4-3-5-9-16/h3-15H,1-2H3
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Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216269
PNG
(CHEMBL410340)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1c(cc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C23H19NO5S/c1-28-21-13-12-18(15-22(21)29-2)30(26,27)24-20(16-8-4-3-5-9-16)14-17-10-6-7-11-19(17)23(24)25/h3-15H,1-2H3
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Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216235
PNG
(CHEMBL89569)
Show SMILES CCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C21H19F3N2O2/c1-2-26-13-17(20(28)25-11-10-14-6-4-3-5-7-14)19(27)16-12-15(21(22,23)24)8-9-18(16)26/h3-9,12-13H,2,10-11H2,1H3,(H,25,28)
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Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2629-34 (1998)


BindingDB Entry DOI: 10.7270/Q2M32XZQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50214286
PNG
(CHEMBL317172)
Show SMILES Cc1ccccc1-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O |(7.14,-7.47,;5.84,-8.29,;5.89,-9.83,;4.58,-10.64,;3.23,-9.92,;3.17,-8.38,;4.49,-7.58,;4.43,-6.04,;5.75,-5.21,;7.21,-5.64,;8.07,-4.37,;7.14,-3.17,;5.69,-3.68,;4.32,-2.96,;4.28,-1.42,;3.03,-3.79,;1.66,-3.06,;1.61,-1.52,;2.92,-.71,;2.85,.82,;1.49,1.54,;.19,.72,;.24,-.82,;3.09,-5.33,;1.78,-6.14,)|
Show InChI InChI=1S/C19H16N4O2/c1-13-7-5-6-10-15(13)23-17-16(20-12-21-17)18(24)22(19(23)25)11-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H,20,21)
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n/an/a 670n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding


Bioorg Med Chem Lett 8: 2925-30 (1998)


BindingDB Entry DOI: 10.7270/Q2Z89FKG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218252
PNG
(CHEMBL308456)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(O)=O
Show InChI InChI=1S/C16H10Cl2N2O5/c1-24-11-3-2-7(8-4-12(16(22)23)25-14(8)11)15(21)20-13-9(17)5-19-6-10(13)18/h2-6H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 770n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218253
PNG
(CHEMBL70090)
Show SMILES COc1ccc(C(=O)Nc2cccnc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)14-8-11-10(5-6-13(23-2)15(11)24-14)17(22)20-12-4-3-7-19-16(12)18/h3-8H,1-2H3,(H,20,22)
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n/an/a 875n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216237
PNG
(CHEMBL90054)
Show SMILES CCn1cc(C(=O)NC2CCc3cc(OC)c(OC)cc23)c(=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O4/c1-4-29-12-17(22(30)16-10-14(24(25,26)27)6-8-19(16)29)23(31)28-18-7-5-13-9-20(32-2)21(33-3)11-15(13)18/h6,8-12,18H,4-5,7H2,1-3H3,(H,28,31)
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n/an/a 900n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2629-34 (1998)


BindingDB Entry DOI: 10.7270/Q2M32XZQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50213843
PNG
(CHEMBL99494)
Show SMILES Cc1ccccc1-n1c2nc[nH]c2c(=O)n(Cc2cccs2)c1=O |(27.78,-27.15,;26.42,-27.87,;26.37,-29.41,;25.01,-30.14,;23.71,-29.32,;23.76,-27.79,;25.12,-27.07,;25.17,-25.53,;26.53,-24.8,;27.97,-25.33,;28.92,-24.11,;28.05,-22.84,;26.57,-23.27,;25.27,-22.45,;25.31,-20.91,;23.91,-23.18,;22.6,-22.36,;21.24,-23.09,;21.03,-24.62,;19.51,-24.89,;18.79,-23.53,;19.85,-22.42,;23.86,-24.72,;22.5,-25.44,)|
Show InChI InChI=1S/C17H14N4O2S/c1-11-5-2-3-7-13(11)21-15-14(18-10-19-15)16(22)20(17(21)23)9-12-6-4-8-24-12/h2-8,10H,9H2,1H3,(H,18,19)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding


Bioorg Med Chem Lett 8: 2925-30 (1998)


BindingDB Entry DOI: 10.7270/Q2Z89FKG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50214507
PNG
(CHEMBL318727)
Show SMILES Cc1ccccc1-n1c2nc[nH]c2c(=O)n(Cc2ccco2)c1=O |(7.14,-7.47,;5.84,-8.29,;5.89,-9.83,;4.58,-10.65,;3.23,-9.92,;3.17,-8.38,;4.49,-7.58,;4.43,-6.04,;5.75,-5.21,;7.22,-5.65,;8.07,-4.37,;7.14,-3.17,;5.69,-3.69,;4.32,-2.96,;4.28,-1.42,;3.03,-3.79,;1.66,-3.06,;1.61,-1.52,;.33,-.66,;.73,.79,;2.29,.86,;2.83,-.57,;3.09,-5.33,;1.78,-6.14,)|
Show InChI InChI=1S/C17H14N4O3/c1-11-5-2-3-7-13(11)21-15-14(18-10-19-15)16(22)20(17(21)23)9-12-6-4-8-24-12/h2-8,10H,9H2,1H3,(H,18,19)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding


Bioorg Med Chem Lett 8: 2925-30 (1998)


BindingDB Entry DOI: 10.7270/Q2Z89FKG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216225
PNG
(CHEMBL89127)
Show SMILES CCn1cc(C(=O)N\N=C\c2ccccc2Cl)c(=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C20H15ClF3N3O2/c1-2-27-11-15(19(29)26-25-10-12-5-3-4-6-16(12)21)18(28)14-9-13(20(22,23)24)7-8-17(14)27/h3-11H,2H2,1H3,(H,26,29)/b25-10+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2629-34 (1998)


BindingDB Entry DOI: 10.7270/Q2M32XZQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216240
PNG
(CHEMBL89510)
Show SMILES CCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cnc(nc12)N1CCCC1
Show InChI InChI=1S/C21H24N6O2/c1-2-26-14-17(20(29)23-10-7-15-5-8-22-9-6-15)18(28)16-13-24-21(25-19(16)26)27-11-3-4-12-27/h5-6,8-9,13-14H,2-4,7,10-12H2,1H3,(H,23,29)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2629-34 (1998)


BindingDB Entry DOI: 10.7270/Q2M32XZQ
More data for this
Ligand-Target Pair
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