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Compile Data Set for Download or QSAR

Found 25 hits of ki for UniProtKB: P14644   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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0.00230n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220995
PNG
(CHEMBL77788)
Show SMILES COc1ccc(\C=N\NC(C)=O)cc1OC1CCCC1
Show InChI InChI=1S/C15H20N2O3/c1-11(18)17-16-10-12-7-8-14(19-2)15(9-12)20-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,17,18)/b16-10+
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0.0190n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221005
PNG
(CHEMBL75684)
Show SMILES CCC(=O)N\N=C(/C)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C17H24N2O3/c1-4-17(20)19-18-12(2)13-9-10-15(21-3)16(11-13)22-14-7-5-6-8-14/h9-11,14H,4-8H2,1-3H3,(H,19,20)/b18-12+
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0.0420n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220998
PNG
(CHEMBL76382)
Show SMILES COc1ccc(\C=N\N=C(\N)S)cc1OC1CCCC1
Show InChI InChI=1S/C14H19N3O2S/c1-18-12-7-6-10(9-16-17-14(15)20)8-13(12)19-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H3,15,17,20)/b16-9+
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0.0460n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221003
PNG
(CHEMBL432348)
Show SMILES COc1ccc(\C=N\NC(N)=O)cc1OC1CCCC1
Show InChI InChI=1S/C14H19N3O3/c1-19-12-7-6-10(9-16-17-14(15)18)8-13(12)20-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H3,15,17,18)/b16-9+
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0.0690n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220997
PNG
(CHEMBL78237)
Show SMILES COc1ccc(cc1OC1CCCC1)C(\C)=N\NC(C)=O
Show InChI InChI=1S/C16H22N2O3/c1-11(17-18-12(2)19)13-8-9-15(20-3)16(10-13)21-14-6-4-5-7-14/h8-10,14H,4-7H2,1-3H3,(H,18,19)/b17-11+
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0.0920n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221006
PNG
(CHEMBL77358)
Show SMILES COc1ccc(cc1OC1CCCC1)C(\C)=N\NC(N)=O
Show InChI InChI=1S/C15H21N3O3/c1-10(17-18-15(16)19)11-7-8-13(20-2)14(9-11)21-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H3,16,18,19)/b17-10+
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0.146n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220999
PNG
(CHEMBL77745)
Show SMILES COc1ccc(cc1OC1CCCC1)C(\C)=N\N=C(\N)S
Show InChI InChI=1S/C15H21N3O2S/c1-10(17-18-15(16)21)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H3,16,18,21)/b17-10+
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0.336n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220996
PNG
(CHEMBL76635)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\NC(N)=O)\c1ccccc1
Show InChI InChI=1S/C20H23N3O3/c1-25-17-12-11-15(13-18(17)26-16-9-5-6-10-16)19(22-23-20(21)24)14-7-3-2-4-8-14/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(H3,21,23,24)/b22-19+
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1.20n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221004
PNG
(CHEMBL77999)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])\c1ccccc1
Show InChI InChI=1S/C20H24N4O2/c1-25-17-12-11-15(13-18(17)26-16-9-5-6-10-16)19(23-24-20(21)22)14-7-3-2-4-8-14/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(H4,21,22,24)/b23-19+
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1.60n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221001
PNG
(CHEMBL76257)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\NC(C)=O)\c1ccccc1
Show InChI InChI=1S/C21H24N2O3/c1-15(24)22-23-21(16-8-4-3-5-9-16)17-12-13-19(25-2)20(14-17)26-18-10-6-7-11-18/h3-5,8-9,12-14,18H,6-7,10-11H2,1-2H3,(H,22,24)/b23-21+
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2n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220993
PNG
(CHEMBL78238)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\N=C(\N)S)\c1ccccc1
Show InChI InChI=1S/C20H23N3O2S/c1-24-17-12-11-15(13-18(17)25-16-9-5-6-10-16)19(22-23-20(21)26)14-7-3-2-4-8-14/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(H3,21,23,26)/b22-19+
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2.30n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221007
PNG
(CHEMBL80258)
Show SMILES CCC(=O)N\N=C\c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C16H22N2O3/c1-3-16(19)18-17-11-12-8-9-14(20-2)15(10-12)21-13-6-4-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,19)/b17-11+
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2.70n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(RAT-Rattus norvegicus)
BDBM50110039
PNG
(1-[2-(3-Cyclopropylmethoxy-4-methoxy-phenyl)-propy...)
Show SMILES COc1ccc(cc1OCC1CC1)C(C)Cn1cc[nH]c1=O
Show InChI InChI=1S/C17H22N2O3/c1-12(10-19-8-7-18-17(19)20)14-5-6-15(21-2)16(9-14)22-11-13-3-4-13/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,20)
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3.5n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221002
PNG
(CHEMBL306320)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6](\[#6])=[#7]\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C15H22N4O2/c1-10(18-19-15(16)17)11-7-8-13(20-2)14(9-11)21-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H4,16,17,19)/b18-10+
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3.5n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221000
PNG
(CHEMBL431962)
Show SMILES CCC(=O)N\N=C(/c1ccccc1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C22H26N2O3/c1-3-21(25)23-24-22(16-9-5-4-6-10-16)17-13-14-19(26-2)20(15-17)27-18-11-7-8-12-18/h4-6,9-10,13-15,18H,3,7-8,11-12H2,1-2H3,(H,23,25)/b24-22+
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>5n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220994
PNG
(CHEMBL77177)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#7]\[#7]=[#6](/[#7])-[#7])cc1-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C14H20N4O2/c1-19-12-7-6-10(9-17-18-14(15)16)8-13(12)20-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H4,15,16,18)/b17-9+
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>5n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(RAT-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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11n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibition of [3H]rolipram binding to Phosphodiesterase 4 of rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(RAT-Rattus norvegicus)
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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26n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibition of [3H]rolipram binding to Phosphodiesterase 4 of rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(RAT-Rattus norvegicus)
BDBM50451480
PNG
(CHEMBL2093042)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)[C@@H](C)Cn1cc[nH]\c1=N/C#N |r|
Show InChI InChI=1S/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)/t16-/m0/s1
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63n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(RAT-Rattus norvegicus)
BDBM50110030
PNG
(1-{2-[3-(Indan-2-yloxy)-4-methoxy-phenyl]-propyl}-...)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)C(C)Cn1ccnc1NC#N
Show InChI InChI=1S/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)
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180n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(RAT-Rattus norvegicus)
BDBM50366802
PNG
(CHEMBL1788264)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)[C@H](C)Cn1ccnc1NC#N |r|
Show InChI InChI=1S/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)/t16-/m1/s1
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220n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
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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8.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat lung cAMP-phosphodiesterase


J Med Chem 23: 1188-98 (1980)


BindingDB Entry DOI: 10.7270/Q22B917N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221806
PNG
(CHEMBL18267)
Show SMILES Clc1ccc(CN2C3=NCCN3C(=O)c3[nH]cnc23)cc1 |t:7|
Show InChI InChI=1S/C14H12ClN5O/c15-10-3-1-9(2-4-10)7-20-12-11(17-8-18-12)13(21)19-6-5-16-14(19)20/h1-4,8H,5-7H2,(H,17,18)
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7.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat lung cAMP-phosphodiesterase


J Med Chem 23: 1188-98 (1980)


BindingDB Entry DOI: 10.7270/Q22B917N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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5.23E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat lung cAMP-phosphodiesterase


J Med Chem 23: 1188-98 (1980)


BindingDB Entry DOI: 10.7270/Q22B917N
More data for this
Ligand-Target Pair