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PubMed code 11814830

Compile data set for download or QSAR
Found 26 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 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50219014
PNG
(CHEMBL149559)
Show SMILES CCc1cc2c(cnc(OC(F)F)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
Show InChI InChI=1S/C16H11Cl2F2N3O4/c1-2-7-3-8-9(4-21-15(13(8)26-7)27-16(19)20)14(24)22-12-10(17)5-23(25)6-11(12)18/h3-6,16H,2H2,1H3,(H,22,24)
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n/an/a 3.70n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50219013
PNG
(CHEMBL343205)
Show SMILES CCc1cc2c(cnc(OC)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
Show InChI InChI=1S/C16H13Cl2N3O4/c1-3-8-4-9-10(5-19-16(24-2)14(9)25-8)15(22)20-13-11(17)6-21(23)7-12(13)18/h4-7H,3H2,1-2H3,(H,20,22)
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n/an/a 14n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
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 R& D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50219018
PNG
(CHEMBL148584)
Show SMILES COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(oc12)C1CCOC1
Show InChI InChI=1S/C18H15Cl2N3O5/c1-26-18-16-10(4-14(28-16)9-2-3-27-8-9)11(5-21-18)17(24)22-15-12(19)6-23(25)7-13(15)20/h4-7,9H,2-3,8H2,1H3,(H,22,24)
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n/an/a 23n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50219014
PNG
(CHEMBL149559)
Show SMILES CCc1cc2c(cnc(OC(F)F)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
Show InChI InChI=1S/C16H11Cl2F2N3O4/c1-2-7-3-8-9(4-21-15(13(8)26-7)27-16(19)20)14(24)22-12-10(17)5-23(25)6-11(12)18/h3-6,16H,2H2,1H3,(H,22,24)
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n/an/a 28n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50219016
PNG
(CHEMBL149081)
Show SMILES COCc1cc2c(cnc(OC)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
Show InChI InChI=1S/C16H13Cl2N3O5/c1-24-7-8-3-9-10(4-19-16(25-2)14(9)26-8)15(22)20-13-11(17)5-21(23)6-12(13)18/h3-6H,7H2,1-2H3,(H,20,22)
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n/an/a 47n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50219009
PNG
(CHEMBL149777)
Show SMILES COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(oc12)C1CCOCC1
Show InChI InChI=1S/C19H17Cl2N3O5/c1-27-19-17-11(6-15(29-17)10-2-4-28-5-3-10)12(7-22-19)18(25)23-16-13(20)8-24(26)9-14(16)21/h6-10H,2-5H2,1H3,(H,23,25)
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n/an/a 47n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50219012
PNG
(CHEMBL359035)
Show SMILES COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(oc12)C1(CCN(CC1)C(=O)OC(C)(C)C)OC
Show InChI InChI=1S/C25H28Cl2N4O7/c1-24(2,3)38-23(33)30-8-6-25(36-5,7-9-30)18-10-14-15(11-28-22(35-4)20(14)37-18)21(32)29-19-16(26)12-31(34)13-17(19)27/h10-13H,6-9H2,1-5H3,(H,29,32)
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n/an/a 48n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50219015
PNG
(CHEMBL146865)
Show SMILES COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(oc12)-c1cccnc1
Show InChI InChI=1S/C19H12Cl2N4O4/c1-28-19-17-11(5-15(29-17)10-3-2-4-22-6-10)12(7-23-19)18(26)24-16-13(20)8-25(27)9-14(16)21/h2-9H,1H3,(H,24,26)
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n/an/a 62n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50219010
PNG
(CHEMBL151634)
Show SMILES CCc1cc2c(cnc(OC)c2o1)C(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C17H14F2N2O3/c1-3-9-7-10-11(8-20-17(23-2)15(10)24-9)16(22)21-14-12(18)5-4-6-13(14)19/h4-8H,3H2,1-2H3,(H,21,22)
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n/an/a 66n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50219013
PNG
(CHEMBL343205)
Show SMILES CCc1cc2c(cnc(OC)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
Show InChI InChI=1S/C16H13Cl2N3O4/c1-3-8-4-9-10(5-19-16(24-2)14(9)25-8)15(22)20-13-11(17)6-21(23)7-12(13)18/h4-7H,3H2,1-2H3,(H,20,22)
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n/an/a 84n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50219017
PNG
(CHEMBL149193)
Show SMILES CCc1cc2c(cnc(OC)c2o1)C(=O)Nc1cc[n+]([O-])cc1C
Show InChI InChI=1S/C17H17N3O4/c1-4-11-7-12-13(8-18-17(23-3)15(12)24-11)16(21)19-14-5-6-20(22)9-10(14)2/h5-9H,4H2,1-3H3,(H,19,21)
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n/an/a 120n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50219008
PNG
(CHEMBL149612)
Show SMILES CCc1cc2c(cnc(OC)c2o1)C(=O)Nc1cc[n+]([O-])cc1Cl
Show InChI InChI=1S/C16H14ClN3O4/c1-3-9-6-10-11(7-18-16(23-2)14(10)24-9)15(21)19-13-4-5-20(22)8-12(13)17/h4-8H,3H2,1-2H3,(H,19,21)
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n/an/a 120n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50219011
PNG
(CHEMBL347102)
Show SMILES CCc1cc2c(cnc(OC)c2o1)C(=O)Nc1ncncc1C#N
Show InChI InChI=1S/C16H13N5O3/c1-3-10-4-11-12(7-19-16(23-2)13(11)24-10)15(22)21-14-9(5-17)6-18-8-20-14/h4,6-8H,3H2,1-2H3,(H,18,20,21,22)
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n/an/a 140n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50219018
PNG
(CHEMBL148584)
Show SMILES COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(oc12)C1CCOC1
Show InChI InChI=1S/C18H15Cl2N3O5/c1-26-18-16-10(4-14(28-16)9-2-3-27-8-9)11(5-21-18)17(24)22-15-12(19)6-23(25)7-13(15)20/h4-7,9H,2-3,8H2,1H3,(H,22,24)
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n/an/a 151n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50219007
PNG
(CHEMBL149500)
Show SMILES CCc1cc2c(cnc(OC)c2o1)C(=O)Nc1c(C)cc(cc1Cl)C#N
Show InChI InChI=1S/C19H16ClN3O3/c1-4-12-7-13-14(9-22-19(25-3)17(13)26-12)18(24)23-16-10(2)5-11(8-21)6-15(16)20/h5-7,9H,4H2,1-3H3,(H,23,24)
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Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50219011
PNG
(CHEMBL347102)
Show SMILES CCc1cc2c(cnc(OC)c2o1)C(=O)Nc1ncncc1C#N
Show InChI InChI=1S/C16H13N5O3/c1-3-10-4-11-12(7-19-16(23-2)13(11)24-10)15(22)21-14-9(5-17)6-18-8-20-14/h4,6-8H,3H2,1-2H3,(H,18,20,21,22)
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n/an/a 270n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50219010
PNG
(CHEMBL151634)
Show SMILES CCc1cc2c(cnc(OC)c2o1)C(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C17H14F2N2O3/c1-3-9-7-10-11(8-20-17(23-2)15(10)24-9)16(22)21-14-12(18)5-4-6-13(14)19/h4-8H,3H2,1-2H3,(H,21,22)
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Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50219016
PNG
(CHEMBL149081)
Show SMILES COCc1cc2c(cnc(OC)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
Show InChI InChI=1S/C16H13Cl2N3O5/c1-24-7-8-3-9-10(4-19-16(25-2)14(9)26-8)15(22)20-13-11(17)5-21(23)6-12(13)18/h3-6H,7H2,1-2H3,(H,20,22)
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n/an/a 280n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50219008
PNG
(CHEMBL149612)
Show SMILES CCc1cc2c(cnc(OC)c2o1)C(=O)Nc1cc[n+]([O-])cc1Cl
Show InChI InChI=1S/C16H14ClN3O4/c1-3-9-6-10-11(7-18-16(23-2)14(10)24-9)15(21)19-13-4-5-20(22)8-12(13)17/h4-8H,3H2,1-2H3,(H,19,21)
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n/an/a 280n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50219009
PNG
(CHEMBL149777)
Show SMILES COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(oc12)C1CCOCC1
Show InChI InChI=1S/C19H17Cl2N3O5/c1-27-19-17-11(6-15(29-17)10-2-4-28-5-3-10)12(7-22-19)18(25)23-16-13(20)8-24(26)9-14(16)21/h6-10H,2-5H2,1H3,(H,23,25)
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Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50219017
PNG
(CHEMBL149193)
Show SMILES CCc1cc2c(cnc(OC)c2o1)C(=O)Nc1cc[n+]([O-])cc1C
Show InChI InChI=1S/C17H17N3O4/c1-4-11-7-12-13(8-18-17(23-3)15(12)24-11)16(21)19-14-5-6-20(22)9-10(14)2/h5-9H,4H2,1-3H3,(H,19,21)
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n/an/a 350n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50219007
PNG
(CHEMBL149500)
Show SMILES CCc1cc2c(cnc(OC)c2o1)C(=O)Nc1c(C)cc(cc1Cl)C#N
Show InChI InChI=1S/C19H16ClN3O3/c1-4-12-7-13-14(9-22-19(25-3)17(13)26-12)18(24)23-16-10(2)5-11(8-21)6-15(16)20/h5-7,9H,4H2,1-3H3,(H,23,24)
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n/an/a 580n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50219015
PNG
(CHEMBL146865)
Show SMILES COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(oc12)-c1cccnc1
Show InChI InChI=1S/C19H12Cl2N4O4/c1-28-19-17-11(5-15(29-17)10-3-2-4-22-6-10)12(7-23-19)18(26)24-16-13(20)8-25(27)9-14(16)21/h2-9H,1H3,(H,24,26)
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n/an/a 621n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50219012
PNG
(CHEMBL359035)
Show SMILES COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(oc12)C1(CCN(CC1)C(=O)OC(C)(C)C)OC
Show InChI InChI=1S/C25H28Cl2N4O7/c1-24(2,3)38-23(33)30-8-6-25(36-5,7-9-30)18-10-14-15(11-28-22(35-4)20(14)37-18)21(32)29-19-16(26)12-31(34)13-17(19)27/h10-13H,6-9H2,1-5H3,(H,29,32)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
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 3.50E+3n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells

Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%