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PubMed code 12039575

Compile data set for download or QSAR
Found 18 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))
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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n/an/a 43n/an/an/an/an/an/a



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)
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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n/an/a 43n/an/an/an/an/an/a



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))
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 51n/an/an/an/an/an/a



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)
BDBM50219825
PNG
(CHEMBL289585)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(C)nc12
Show InChI InChI=1S/C17H13Cl2N3O2/c1-9-3-4-10-11(5-6-14(24-2)15(10)21-9)17(23)22-16-12(18)7-20-8-13(16)19/h3-8H,1-2H3,(H,20,22,23)
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n/an/a 74n/an/an/an/an/an/a



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 4C


(Rattus norvegicus)
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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n/an/a 75n/an/an/an/an/an/a



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 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 77n/an/an/an/an/an/a



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))
BDBM50219825
PNG
(CHEMBL289585)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(C)nc12
Show InChI InChI=1S/C17H13Cl2N3O2/c1-9-3-4-10-11(5-6-14(24-2)15(10)21-9)17(23)22-16-12(18)7-20-8-13(16)19/h3-8H,1-2H3,(H,20,22,23)
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n/an/a 88n/an/an/an/an/an/a



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)
BDBM50219820
PNG
(CHEMBL607239)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(C)N(C)O
Show InChI InChI=1S/C19H18Cl2N4O3/c1-10(25(2)27)15-6-4-11-12(5-7-16(28-3)17(11)23-15)19(26)24-18-13(20)8-22-9-14(18)21/h4-10,27H,1-3H3,(H,22,24,26)
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n/an/a 140n/an/an/an/an/an/a



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 4C


(Rattus norvegicus)
BDBM50219823
PNG
(CHEMBL295319)
Show SMILES CCc1cnc2c(OC)ccc(C(=O)Nc3c(Cl)cncc3Cl)c2c1
Show InChI InChI=1S/C18H15Cl2N3O2/c1-3-10-6-12-11(4-5-15(25-2)16(12)22-7-10)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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n/an/a 160n/an/an/an/an/an/a



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))
BDBM50219816
PNG
(CHEMBL39058)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cccnc12
Show InChI InChI=1S/C16H11Cl2N3O2/c1-23-13-5-4-10(9-3-2-6-20-14(9)13)16(22)21-15-11(17)7-19-8-12(15)18/h2-8H,1H3,(H,19,21,22)
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n/an/a 170n/an/an/an/an/an/a



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))
BDBM50219819
PNG
(CHEMBL43593)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(C)O
Show InChI InChI=1S/C18H15Cl2N3O3/c1-9(24)14-5-3-10-11(4-6-15(26-2)16(10)22-14)18(25)23-17-12(19)7-21-8-13(17)20/h3-9,24H,1-2H3,(H,21,23,25)
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n/an/a 180n/an/an/an/an/an/a



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))
BDBM50219820
PNG
(CHEMBL607239)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(C)N(C)O
Show InChI InChI=1S/C19H18Cl2N4O3/c1-10(25(2)27)15-6-4-11-12(5-7-16(28-3)17(11)23-15)19(26)24-18-13(20)8-22-9-14(18)21/h4-10,27H,1-3H3,(H,22,24,26)
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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: 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))
BDBM50219823
PNG
(CHEMBL295319)
Show SMILES CCc1cnc2c(OC)ccc(C(=O)Nc3c(Cl)cncc3Cl)c2c1
Show InChI InChI=1S/C18H15Cl2N3O2/c1-3-10-6-12-11(4-5-15(25-2)16(12)22-7-10)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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n/an/a 210n/an/an/an/an/an/a



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))
BDBM50219822
PNG
(CHEMBL40201)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(C)=O
Show InChI InChI=1S/C18H13Cl2N3O3/c1-9(24)14-5-3-10-11(4-6-15(26-2)16(10)22-14)18(25)23-17-12(19)7-21-8-13(17)20/h3-8H,1-2H3,(H,21,23,25)
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n/an/a 440n/an/an/an/an/an/a



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)
BDBM50219816
PNG
(CHEMBL39058)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cccnc12
Show InChI InChI=1S/C16H11Cl2N3O2/c1-23-13-5-4-10(9-3-2-6-20-14(9)13)16(22)21-15-11(17)7-19-8-12(15)18/h2-8H,1H3,(H,19,21,22)
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n/an/a 530n/an/an/an/an/an/a



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))
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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n/an/a 700n/an/an/an/an/an/a



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)
BDBM50219819
PNG
(CHEMBL43593)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(C)O
Show InChI InChI=1S/C18H15Cl2N3O3/c1-9(24)14-5-3-10-11(4-6-15(26-2)16(10)22-14)18(25)23-17-12(19)7-21-8-13(17)20/h3-9,24H,1-2H3,(H,21,23,25)
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n/an/a 790n/an/an/an/an/an/a



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 4C


(Rattus norvegicus)
BDBM50219822
PNG
(CHEMBL40201)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(C)=O
Show InChI InChI=1S/C18H13Cl2N3O3/c1-9(24)14-5-3-10-11(4-6-15(26-2)16(10)22-14)18(25)23-17-12(19)7-21-8-13(17)20/h3-8H,1-2H3,(H,21,23,25)
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n/an/a 1.50E+3n/an/an/an/an/an/a



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
* indicates data uncertainty>20%