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Compile Data Set for Download or QSAR

Found 98 hits with Last Name = 'muller' and Initial = 'gw'   
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))
BDBM50484445
PNG
(CHEMBL1916064)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(NC)cc1
Show InChI InChI=1S/C19H20N2O2/c1-4-23-19-13-15(7-10-18(19)22-3)17(11-12-20)14-5-8-16(21-2)9-6-14/h5-11,13,21H,4H2,1-3H3/b17-11-
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n/an/a 41n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484403
PNG
(CHEMBL1916063)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(N)c1
Show InChI InChI=1S/C19H20N2O3/c1-4-24-19-12-14(6-8-18(19)23-3)15(9-10-20)13-5-7-17(22-2)16(21)11-13/h5-9,11-12H,4,21H2,1-3H3/b15-9-
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n/an/a 47n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484400
PNG
(CHEMBL1916075)
Show SMILES Cl.CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(OC(=O)CN)c1
Show InChI InChI=1S/C21H22N2O5/c1-4-27-19-11-14(5-7-17(19)25-2)16(9-10-22)15-6-8-18(26-3)20(12-15)28-21(24)13-23/h5-9,11-12H,4,13,23H2,1-3H3/b16-9+
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484401
PNG
(CHEMBL1916065)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C20H22N2O2/c1-5-24-20-14-16(8-11-19(20)23-4)18(12-13-21)15-6-9-17(10-7-15)22(2)3/h6-12,14H,5H2,1-4H3/b18-12-
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484405
PNG
(CHEMBL1915853)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C20H21NO4/c1-5-25-20-12-14(6-7-19(20)24-4)18(8-9-21)15-10-16(22-2)13-17(11-15)23-3/h6-8,10-13H,5H2,1-4H3/b18-8+
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n/an/a 54n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484442
PNG
(CHEMBL1916076)
Show SMILES Cl.CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(OC(=O)[C@H](C)N)c1 |r|
Show InChI InChI=1S/C22H24N2O5.ClH/c1-5-28-20-12-15(6-8-18(20)26-3)17(10-11-23)16-7-9-19(27-4)21(13-16)29-22(25)14(2)24;/h6-10,12-14H,5,24H2,1-4H3;1H/t14-;/m0./s1
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n/an/a 69n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484406
PNG
(CHEMBL1915854)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(OCC)c1
Show InChI InChI=1S/C21H23NO4/c1-5-25-20-13-15(7-9-18(20)23-3)17(11-12-22)16-8-10-19(24-4)21(14-16)26-6-2/h7-11,13-14H,5-6H2,1-4H3
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n/an/a 70n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484428
PNG
(CHEMBL1916060)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(F)c1
Show InChI InChI=1S/C19H18FNO3/c1-4-24-19-12-14(6-8-18(19)23-3)15(9-10-21)13-5-7-17(22-2)16(20)11-13/h5-9,11-12H,4H2,1-3H3/b15-9-
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n/an/a 70n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484449
PNG
(CHEMBL1916066)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(c1)-n1cccc1
Show InChI InChI=1S/C23H22N2O3/c1-4-28-23-16-18(8-10-22(23)27-3)19(11-12-24)17-7-9-21(26-2)20(15-17)25-13-5-6-14-25/h5-11,13-16H,4H2,1-3H3/b19-11-
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n/an/a 70n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484432
PNG
(CHEMBL1916058)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(C)c1
Show InChI InChI=1S/C20H21NO3/c1-5-24-20-13-16(7-9-19(20)23-4)17(10-11-21)15-6-8-18(22-3)14(2)12-15/h6-10,12-13H,5H2,1-4H3/b17-10-
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n/an/a 82n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484429
PNG
(CHEMBL1915855)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H21NO4/c1-5-25-20-13-15(7-9-18(20)23-3)16(10-11-21)14-6-8-17(22-2)19(12-14)24-4/h6-10,12-13H,5H2,1-4H3/b16-10-
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n/an/a 83n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484435
PNG
(CHEMBL1916062)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(O)c1
Show InChI InChI=1S/C19H19NO4/c1-4-24-19-12-14(6-8-18(19)23-3)15(9-10-20)13-5-7-17(22-2)16(21)11-13/h5-9,11-12,21H,4H2,1-3H3/b15-9-
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n/an/a 91n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484402
PNG
(CHEMBL1916059)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1cccc(OC)c1
Show InChI InChI=1S/C19H19NO3/c1-4-23-19-13-15(8-9-18(19)22-3)17(10-11-20)14-6-5-7-16(12-14)21-2/h5-10,12-13H,4H2,1-3H3/b17-10-
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n/an/a 110n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484434
PNG
(CHEMBL1916074)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(OC(=O)N(C)C)c1
Show InChI InChI=1S/C22H24N2O5/c1-6-28-20-13-15(7-9-18(20)26-4)17(11-12-23)16-8-10-19(27-5)21(14-16)29-22(25)24(2)3/h7-11,13-14H,6H2,1-5H3/b17-11+
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n/an/a 120n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484404
PNG
(CHEMBL1916077)
Show SMILES Cl.CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(OC(=O)[C@@H](N)C(C)C)c1 |r|
Show InChI InChI=1S/C24H28N2O5.ClH/c1-6-30-21-13-16(7-9-19(21)28-4)18(11-12-25)17-8-10-20(29-5)22(14-17)31-24(27)23(26)15(2)3;/h7-11,13-15,23H,6,26H2,1-5H3;1H/t23-;/m0./s1
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216304
PNG
(CHEMBL313439)
Show SMILES CCOc1cc(ccc1OC)C(CC#N)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C20H18N2O4/c1-3-26-18-12-13(8-9-17(18)25-2)16(10-11-21)22-19(23)14-6-4-5-7-15(14)20(22)24/h4-9,12,16H,3,10H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of PDE4 enzyme from U937 cells


Bioorg Med Chem Lett 8: 2669-74 (1998)


BindingDB Entry DOI: 10.7270/Q2BK1FJH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484446
PNG
(CHEMBL1915843)
Show SMILES COc1cc(OC)cc(c1)C(=CC(C)=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H22O5/c1-13(21)8-18(14-6-7-19(24-4)20(11-14)25-5)15-9-16(22-2)12-17(10-15)23-3/h6-12H,1-5H3/b18-8-
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n/an/a 140n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484408
PNG
(CHEMBL1915827)
Show SMILES COc1cc(OC)cc(c1)C(=C/C#N)\c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C19H19NO4/c1-21-15-9-14(10-16(12-15)22-2)17(7-8-20)13-5-6-18(23-3)19(11-13)24-4/h5-7,9-12H,1-4H3/b17-7-
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n/an/a 150n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484407
PNG
(CHEMBL1916073)
Show SMILES Cl.CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(NC(=O)[C@H](C)N)c1 |r|
Show InChI InChI=1S/C22H25N3O4.ClH/c1-5-29-21-13-16(7-9-20(21)28-4)17(10-11-23)15-6-8-19(27-3)18(12-15)25-22(26)14(2)24;/h6-10,12-14H,5,24H2,1-4H3,(H,25,26);1H/t14-;/m0./s1
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n/an/a 150n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484409
PNG
(CHEMBL1915832)
Show SMILES COc1cccc(c1)C(=CC#N)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H17NO3/c1-20-15-6-4-5-13(11-15)16(9-10-19)14-7-8-17(21-2)18(12-14)22-3/h4-9,11-12H,1-3H3/b16-9-
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n/an/a 160n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484436
PNG
(CHEMBL1915831)
Show SMILES COc1ccc(cc1)C(=CC#N)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H17NO3/c1-20-15-7-4-13(5-8-15)16(10-11-19)14-6-9-17(21-2)18(12-14)22-3/h4-10,12H,1-3H3/b16-10-
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484424
PNG
(CHEMBL1916061)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H19NO4S/c1-4-24-19-13-15(7-10-18(19)23-2)17(11-12-20)14-5-8-16(9-6-14)25(3,21)22/h5-11,13H,4H2,1-3H3/b17-11-
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216301
PNG
(CHEMBL88475)
Show SMILES CCOc1cc(ccc1OC)C(CC(=O)OC)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H21NO6/c1-4-28-18-11-13(9-10-17(18)26-2)16(12-19(23)27-3)22-20(24)14-7-5-6-8-15(14)21(22)25/h5-11,16H,4,12H2,1-3H3
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of PDE4 enzyme from U937 cells


Bioorg Med Chem Lett 8: 2669-74 (1998)


BindingDB Entry DOI: 10.7270/Q2BK1FJH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484433
PNG
(3,3-Bis(3,4-Dimethoxyphenyl)Acrylonitrile | CHEMBL...)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8]-[#6])-[#6](=[#6]/C#N)\c1ccc(-[#8]-[#6])c(-[#8]-[#6])c1
Show InChI InChI=1S/C19H19NO4/c1-21-16-7-5-13(11-18(16)23-3)15(9-10-20)14-6-8-17(22-2)19(12-14)24-4/h5-9,11-12H,1-4H3
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484437
PNG
(CHEMBL1915825)
Show SMILES COc1cc(OC)cc(c1)C(=CC#N)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C19H19NO4/c1-21-15-9-14(10-16(12-15)22-2)17(7-8-20)13-5-6-18(23-3)19(11-13)24-4/h5-7,9-12H,1-4H3/b17-7+
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216299
PNG
(CHEMBL315529)
Show SMILES COc1ccc(cc1OC1CCCC1)C(CC#N)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C23H22N2O4/c1-28-20-11-10-15(14-21(20)29-16-6-2-3-7-16)19(12-13-24)25-22(26)17-8-4-5-9-18(17)23(25)27/h4-5,8-11,14,16,19H,2-3,6-7,12H2,1H3
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of PDE4 enzyme from U937 cells


Bioorg Med Chem Lett 8: 2669-74 (1998)


BindingDB Entry DOI: 10.7270/Q2BK1FJH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484410
PNG
(CHEMBL1916068)
Show SMILES [#6]-[#6]-[#8]-c1cc(ccc1-[#8]-[#6])-[#6](=[#6](\F)F)\c1ccc(-[#8]-[#6])c(-[#8])c1
Show InChI InChI=1S/C18H18F2O4/c1-4-24-16-10-12(6-8-15(16)23-3)17(18(19)20)11-5-7-14(22-2)13(21)9-11/h5-10,21H,4H2,1-3H3
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50052612
PNG
(3-(5-Amino-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-...)
Show SMILES COC(=O)CC(N1C(=O)c2ccc(N)cc2C1=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O6/c1-26-16-7-4-11(8-17(16)27-2)15(10-18(23)28-3)22-19(24)13-6-5-12(21)9-14(13)20(22)25/h4-9,15H,10,21H2,1-3H3
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs


J Med Chem 39: 3238-40 (1996)


Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484425
PNG
(CHEMBL1916067)
Show SMILES CCOc1cc(ccc1OC)C(=C)c1ccc(OC)c(O)c1
Show InChI InChI=1S/C18H20O4/c1-5-22-18-11-14(7-9-17(18)21-4)12(2)13-6-8-16(20-3)15(19)10-13/h6-11,19H,2,5H2,1,3-4H3
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
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 400n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 from U937 cells


Bioorg Med Chem Lett 8: 2669-74 (1998)


BindingDB Entry DOI: 10.7270/Q2BK1FJH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484411
PNG
(CHEMBL1916072)
Show SMILES Cl.CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(NC(=O)CN)c1
Show InChI InChI=1S/C21H23N3O4/c1-4-28-20-12-15(6-8-19(20)27-3)16(9-10-22)14-5-7-18(26-2)17(11-14)24-21(25)13-23/h5-9,11-12H,4,13,23H2,1-3H3,(H,24,25)/b16-9-
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50052602
PNG
(3-(4-Amino-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-...)
Show SMILES COC(=O)CC(N1C(=O)c2cccc(N)c2C1=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O6/c1-26-15-8-7-11(9-16(15)27-2)14(10-17(23)28-3)22-19(24)12-5-4-6-13(21)18(12)20(22)25/h4-9,14H,10,21H2,1-3H3
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs


J Med Chem 39: 3238-40 (1996)


Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484443
PNG
(CHEMBL1916070)
Show SMILES CCOc1cc(ccc1OC)C(=CC)c1ccc(OC)c(N)c1
Show InChI InChI=1S/C19H23NO3/c1-5-15(13-7-9-17(21-3)16(20)11-13)14-8-10-18(22-4)19(12-14)23-6-2/h5,7-12H,6,20H2,1-4H3/b15-5-
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484430
PNG
(CHEMBL1916069)
Show SMILES CCOc1cc(ccc1OC)C(=C)c1ccc(OC)c(N)c1
Show InChI InChI=1S/C18H21NO3/c1-5-22-18-11-14(7-9-17(18)21-4)12(2)13-6-8-16(20-3)15(19)10-13/h6-11H,2,5,19H2,1,3-4H3
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n/an/a 680n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484413
PNG
(CHEMBL1915826)
Show SMILES COc1cc(OC)cc(c1)C(=C\C#N)\c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C19H19NO4/c1-21-15-9-14(10-16(12-15)22-2)17(7-8-20)13-5-6-18(23-3)19(11-13)24-4/h5-7,9-12H,1-4H3/b17-7+
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n/an/a 730n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216303
PNG
(CHEMBL90349)
Show SMILES COC(=O)CC(N1C(=O)c2ccccc2C1=O)c1ccc(OC)c(OC2CC3CCC2C3)c1 |THB:24:25:31:29.28|
Show InChI InChI=1S/C26H27NO6/c1-31-21-10-9-16(13-23(21)33-22-12-15-7-8-17(22)11-15)20(14-24(28)32-2)27-25(29)18-5-3-4-6-19(18)26(27)30/h3-6,9-10,13,15,17,20,22H,7-8,11-12,14H2,1-2H3
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n/an/a 740n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of PDE4 enzyme from U937 cells


Bioorg Med Chem Lett 8: 2669-74 (1998)


BindingDB Entry DOI: 10.7270/Q2BK1FJH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216298
PNG
(CC-1088 | CHEMBL88153)
Show SMILES COc1ccc(cc1OC1CCCC1)C(CC(N)=O)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C23H24N2O5/c1-29-19-11-10-14(12-20(19)30-15-6-2-3-7-15)18(13-21(24)26)25-22(27)16-8-4-5-9-17(16)23(25)28/h4-5,8-12,15,18H,2-3,6-7,13H2,1H3,(H2,24,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of PDE4 enzyme from U937 cells


Bioorg Med Chem Lett 8: 2669-74 (1998)


BindingDB Entry DOI: 10.7270/Q2BK1FJH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216295
PNG
(CHEMBL314759)
Show SMILES COc1ccc(cc1OC)C(CC#N)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H16N2O4/c1-24-16-8-7-12(11-17(16)25-2)15(9-10-20)21-18(22)13-5-3-4-6-14(13)19(21)23/h3-8,11,15H,9H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of PDE4 enzyme from U937 cells


Bioorg Med Chem Lett 8: 2669-74 (1998)


BindingDB Entry DOI: 10.7270/Q2BK1FJH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484412
PNG
(CHEMBL1915841)
Show SMILES COC(=O)C=C(c1ccc(OC)c(OC)c1)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C20H22O6/c1-22-15-8-14(9-16(11-15)23-2)17(12-20(21)26-5)13-6-7-18(24-3)19(10-13)25-4/h6-12H,1-5H3/b17-12-
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484415
PNG
(CHEMBL1915844)
Show SMILES COc1cc(OC)cc(c1)C(=CC)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C19H22O4/c1-6-17(13-7-8-18(22-4)19(11-13)23-5)14-9-15(20-2)12-16(10-14)21-3/h6-12H,1-5H3/b17-6-
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216300
PNG
(CHEMBL90345)
Show SMILES COC(=O)CC(N1C(=O)c2ccccc2C1=O)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C24H25NO6/c1-29-20-12-11-15(13-21(20)31-16-7-3-4-8-16)19(14-22(26)30-2)25-23(27)17-9-5-6-10-18(17)24(25)28/h5-6,9-13,16,19H,3-4,7-8,14H2,1-2H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of PDE4 enzyme from U937 cells


Bioorg Med Chem Lett 8: 2669-74 (1998)


BindingDB Entry DOI: 10.7270/Q2BK1FJH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484438
PNG
(CHEMBL1915829)
Show SMILES COc1ccc(cc1OC)C(=CC#N)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H21NO5/c1-22-16-7-6-13(10-17(16)23-2)15(8-9-21)14-11-18(24-3)20(26-5)19(12-14)25-4/h6-8,10-12H,1-5H3/b15-8+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484416
PNG
(CHEMBL1915835)
Show SMILES COc1cc(OC)cc(c1)C(=CC#N)c1ccccc1
Show InChI InChI=1S/C17H15NO2/c1-19-15-10-14(11-16(12-15)20-2)17(8-9-18)13-6-4-3-5-7-13/h3-8,10-12H,1-2H3/b17-8+
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n/an/a 1.90E+3n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484414
PNG
(CHEMBL1915845)
Show SMILES CCC=C(c1ccc(OC)c(OC)c1)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C20H24O4/c1-6-7-18(14-8-9-19(23-4)20(12-14)24-5)15-10-16(21-2)13-17(11-15)22-3/h7-13H,6H2,1-5H3/b18-7-
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n/an/a 2.00E+3n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216302
PNG
(CHEMBL419135)
Show SMILES CCOc1cc(ccc1OC)C(CC(N)=O)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C20H20N2O5/c1-3-27-17-10-12(8-9-16(17)26-2)15(11-18(21)23)22-19(24)13-6-4-5-7-14(13)20(22)25/h4-10,15H,3,11H2,1-2H3,(H2,21,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of PDE4 enzyme from U937 cells


Bioorg Med Chem Lett 8: 2669-74 (1998)


BindingDB Entry DOI: 10.7270/Q2BK1FJH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216296
PNG
(CHEMBL89635)
Show SMILES CCOc1cc(ccc1OC)C(CC(=O)OC)N1C(=O)c2c(C1=O)c(F)c(F)c(F)c2F
Show InChI InChI=1S/C21H17F4NO6/c1-4-32-12-7-9(5-6-11(12)30-2)10(8-13(27)31-3)26-20(28)14-15(21(26)29)17(23)19(25)18(24)16(14)22/h5-7,10H,4,8H2,1-3H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 from U937 cells


Bioorg Med Chem Lett 8: 2669-74 (1998)


BindingDB Entry DOI: 10.7270/Q2BK1FJH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484439
PNG
(CHEMBL1915839)
Show SMILES COc1cc(OC)cc(c1)C(=C)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H20O4/c1-12(13-6-7-17(21-4)18(10-13)22-5)14-8-15(19-2)11-16(9-14)20-3/h6-11H,1H2,2-5H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484440
PNG
(CHEMBL1915836)
Show SMILES COc1cc(OC)cc(c1)C(=CC#N)c1ccc(OC)c(O)c1
Show InChI InChI=1S/C18H17NO4/c1-21-14-8-13(9-15(11-14)22-2)16(6-7-19)12-4-5-18(23-3)17(20)10-12/h4-6,8-11,20H,1-3H3/b16-6+
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n/an/a 2.40E+3n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484444
PNG
(3,3-Bis(3,4,5-Trimethoxyphenyl)Acrylonitrile | CHE...)
Show SMILES [#6]-[#8]-c1cc(cc(-[#8]-[#6])c1-[#8]-[#6])-[#6](=[#6]\C#N)\c1cc(-[#8]-[#6])c(-[#8]-[#6])c(-[#8]-[#6])c1
Show InChI InChI=1S/C21H23NO6/c1-23-16-9-13(10-17(24-2)20(16)27-5)15(7-8-22)14-11-18(25-3)21(28-6)19(12-14)26-4/h7,9-12H,1-6H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50052596
PNG
(3-(3,4-Dimethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-...)
Show SMILES COC(=O)CC(N1C(=O)c2ccccc2C1=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H19NO6/c1-25-16-9-8-12(10-17(16)26-2)15(11-18(22)27-3)21-19(23)13-6-4-5-7-14(13)20(21)24/h4-10,15H,11H2,1-3H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of PDE4 enzyme from U937 cells


Bioorg Med Chem Lett 8: 2669-74 (1998)


BindingDB Entry DOI: 10.7270/Q2BK1FJH
More data for this
Ligand-Target Pair
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