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Compile Data Set for Download or QSAR

Found 201 hits with Last Name = 'warneck' and Initial = 'jb'   
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 1n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 (PDE-4) from human U937 cells

Bioorg Med Chem Lett 12: 1613-5 (2002)


BindingDB Entry DOI: 10.7270/Q2D220S3
More data for this
Ligand-Target Pair
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
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50476508
PNG
(CHEMBL234487)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#7]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)c2ccccc12)[Si;v4]([#6])([#6])[#6]
Show InChI InChI=1S/C27H35N3O4Si/c1-32-26-11-9-20(35(2,3)4)19-24(26)29-27(31)28-23-10-12-25(22-8-6-5-7-21(22)23)34-18-15-30-13-16-33-17-14-30/h5-12,19H,13-18H2,1-4H3,(H2,28,29,31)
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n/an/a 3n/an/an/an/an/an/a



Paradigm Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38

Bioorg Med Chem Lett 17: 354-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.044
BindingDB Entry DOI: 10.7270/Q2KD21NQ
More data for this
Ligand-Target Pair
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))		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)		BDBM50114418
PNG
(8-Methoxy-2-trifluoromethyl-quinoline-5-carboxylic...)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H10Cl2F3N3O2/c1-27-12-4-2-9(8-3-5-13(17(20,21)22)24-14(8)12)16(26)25-15-10(18)6-23-7-11(15)19/h2-7H,1H3,(H,23,25,26)
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n/an/a 7n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 of rat brain

Bioorg Med Chem Lett 12: 1621-3 (2002)


BindingDB Entry DOI: 10.7270/Q24J0HB2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50476509
PNG
(CHEMBL234486)
Show SMILES [#6]-c1ccc(cc1)-n1nc(cc1-[#7]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)c2ccccc12)[Si;v4]([#6])([#6])[#6]
Show InChI InChI=1S/C30H37N5O3Si/c1-22-9-11-23(12-10-22)35-28(21-29(33-35)39(2,3)4)32-30(36)31-26-13-14-27(25-8-6-5-7-24(25)26)38-20-17-34-15-18-37-19-16-34/h5-14,21H,15-20H2,1-4H3,(H2,31,32,36)
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n/an/a 7n/an/an/an/an/an/a



Paradigm Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38

Bioorg Med Chem Lett 17: 354-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.044
BindingDB Entry DOI: 10.7270/Q2KD21NQ
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
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a 9n/an/an/an/an/an/a



Paradigm Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38

Bioorg Med Chem Lett 17: 354-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.044
BindingDB Entry DOI: 10.7270/Q2KD21NQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 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 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 20n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain

Bioorg Med Chem Lett 12: 1613-5 (2002)


BindingDB Entry DOI: 10.7270/Q2D220S3
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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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)		BDBM50219815
PNG
(CHEMBL43570)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2[nH]c(nc12)C(F)(F)F
Show InChI InChI=1S/C15H9Cl2F3N4O2/c1-26-9-3-2-6(10-12(9)24-14(23-10)15(18,19)20)13(25)22-11-7(16)4-21-5-8(11)17/h2-5H,1H3,(H,23,24)(H,21,22,25)
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Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain

Bioorg Med Chem Lett 12: 1613-5 (2002)


BindingDB Entry DOI: 10.7270/Q2D220S3
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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Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain

Bioorg Med Chem Lett 12: 1613-5 (2002)


BindingDB Entry DOI: 10.7270/Q2D220S3
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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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)		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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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))		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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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))		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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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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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)		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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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)		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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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))		BDBM50219830
PNG
(CHEMBL42387)
Show SMILES COc1ccc(C(=O)Nc2c(F)cncc2F)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H10F5N3O2/c1-27-12-4-2-9(8-3-5-13(17(20,21)22)24-14(8)12)16(26)25-15-10(18)6-23-7-11(15)19/h2-7H,1H3,(H,23,25,26)
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Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells

Bioorg Med Chem Lett 12: 1621-3 (2002)


BindingDB Entry DOI: 10.7270/Q24J0HB2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50219830
PNG
(CHEMBL42387)
Show SMILES COc1ccc(C(=O)Nc2c(F)cncc2F)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H10F5N3O2/c1-27-12-4-2-9(8-3-5-13(17(20,21)22)24-14(8)12)16(26)25-15-10(18)6-23-7-11(15)19/h2-7H,1H3,(H,23,25,26)
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Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 of rat brain

Bioorg Med Chem Lett 12: 1621-3 (2002)


BindingDB Entry DOI: 10.7270/Q24J0HB2
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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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)		BDBM50219824
PNG
(CHEMBL444824)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C#N
Show InChI InChI=1S/C17H10Cl2N4O2/c1-25-14-5-4-11(10-3-2-9(6-20)22-15(10)14)17(24)23-16-12(18)7-21-8-13(16)19/h2-5,7-8H,1H3,(H,21,23,24)
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Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 in rat brain

Bioorg Med Chem Lett 12: 1617-9 (2002)


BindingDB Entry DOI: 10.7270/Q289182S
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50219821
PNG
(CHEMBL42002)
Show SMILES CCc1ccc2c(ccc(OC)c2n1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H15Cl2N3O2/c1-3-10-4-5-11-12(6-7-15(25-2)16(11)22-10)18(24)23-17-13(19)8-21-9-14(17)20/h4-9H,3H2,1-2H3,(H,21,23,24)
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Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells

Bioorg Med Chem Lett 12: 1617-9 (2002)


BindingDB Entry DOI: 10.7270/Q289182S
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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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))		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 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))		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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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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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))		BDBM50114418
PNG
(8-Methoxy-2-trifluoromethyl-quinoline-5-carboxylic...)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H10Cl2F3N3O2/c1-27-12-4-2-9(8-3-5-13(17(20,21)22)24-14(8)12)16(26)25-15-10(18)6-23-7-11(15)19/h2-7H,1H3,(H,23,25,26)
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Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells

Bioorg Med Chem Lett 12: 1621-3 (2002)


BindingDB Entry DOI: 10.7270/Q24J0HB2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50114418
PNG
(8-Methoxy-2-trifluoromethyl-quinoline-5-carboxylic...)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H10Cl2F3N3O2/c1-27-12-4-2-9(8-3-5-13(17(20,21)22)24-14(8)12)16(26)25-15-10(18)6-23-7-11(15)19/h2-7H,1H3,(H,23,25,26)
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Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells

Bioorg Med Chem Lett 12: 1617-9 (2002)


BindingDB Entry DOI: 10.7270/Q289182S
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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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)		BDBM50219829
PNG
(CHEMBL288195)
Show SMILES COc1ccc(C(=O)Nc2c(C)cncc2C)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C19H16F3N3O2/c1-10-8-23-9-11(2)16(10)25-18(26)13-4-6-14(27-3)17-12(13)5-7-15(24-17)19(20,21)22/h4-9H,1-3H3,(H,23,25,26)
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n/an/a 58n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 of rat brain

Bioorg Med Chem Lett 12: 1621-3 (2002)


BindingDB Entry DOI: 10.7270/Q24J0HB2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50219826
PNG
(CHEMBL607242)
Show SMILES COc1ccc(C(=O)Nc2c(F)c[n+]([O-])cc2F)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H10F5N3O3/c1-28-12-4-2-9(8-3-5-13(17(20,21)22)23-14(8)12)16(26)24-15-10(18)6-25(27)7-11(15)19/h2-7H,1H3,(H,24,26)
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Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 of rat brain

Bioorg Med Chem Lett 12: 1621-3 (2002)


BindingDB Entry DOI: 10.7270/Q24J0HB2
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 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50219270
PNG
(3,5-Dichloro-4-[(8-methoxy-2-trifluoromethyl-quino...)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H10Cl2F3N3O3/c1-28-12-4-2-9(8-3-5-13(17(20,21)22)23-14(8)12)16(26)24-15-10(18)6-25(27)7-11(15)19/h2-7H,1H3,(H,24,26)
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Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4

Bioorg Med Chem Lett 12: 1621-3 (2002)


BindingDB Entry DOI: 10.7270/Q24J0HB2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50219270
PNG
(3,5-Dichloro-4-[(8-methoxy-2-trifluoromethyl-quino...)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H10Cl2F3N3O3/c1-28-12-4-2-9(8-3-5-13(17(20,21)22)23-14(8)12)16(26)24-15-10(18)6-25(27)7-11(15)19/h2-7H,1H3,(H,24,26)
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Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells

Bioorg Med Chem Lett 12: 1621-3 (2002)


BindingDB Entry DOI: 10.7270/Q24J0HB2
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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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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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))		BDBM50219826
PNG
(CHEMBL607242)
Show SMILES COc1ccc(C(=O)Nc2c(F)c[n+]([O-])cc2F)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H10F5N3O3/c1-28-12-4-2-9(8-3-5-13(17(20,21)22)23-14(8)12)16(26)24-15-10(18)6-25(27)7-11(15)19/h2-7H,1H3,(H,24,26)
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Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells

Bioorg Med Chem Lett 12: 1621-3 (2002)


BindingDB Entry DOI: 10.7270/Q24J0HB2
More data for this
Ligand-Target Pair
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