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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50048952   
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 4B


(Homo sapiens (Human))
BDBM50231313
PNG
(CHEMBL4085883)
Show SMILES COc1ccc(cc1)-c1nc(co1)C(=O)n1nc(C)cc1C
Show InChI InChI=1S/C16H15N3O3/c1-10-8-11(2)19(18-10)16(20)14-9-22-15(17-14)12-4-6-13(21-3)7-5-12/h4-9H,1-3H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(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 1.80E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231320
PNG
(CHEMBL4084152)
Show SMILES COc1ccc(cc1)-c1nc(co1)C(=O)n1cccn1
Show InChI InChI=1S/C14H11N3O3/c1-19-11-5-3-10(4-6-11)13-16-12(9-20-13)14(18)17-8-2-7-15-17/h2-9H,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 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



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4D using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231312
PNG
(CHEMBL4104696)
Show SMILES Cc1cc(C)n(n1)C(=O)c1coc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN3O2/c1-9-7-10(2)19(18-9)15(20)13-8-21-14(17-13)11-3-5-12(16)6-4-11/h3-8H,1-2H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231324
PNG
(CHEMBL4098616)
Show SMILES COc1cccc(c1)-c1nc(co1)C(=O)n1nc(C)cc1C
Show InChI InChI=1S/C16H15N3O3/c1-10-7-11(2)19(18-10)16(20)14-9-22-15(17-14)12-5-4-6-13(8-12)21-3/h4-9H,1-3H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231224
PNG
(CHEMBL4091911)
Show SMILES Clc1ccc(cc1)-c1nc(co1)C(=O)n1cccn1
Show InChI InChI=1S/C13H8ClN3O2/c14-10-4-2-9(3-5-10)12-16-11(8-19-12)13(18)17-7-1-6-15-17/h1-8H
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n/an/a 5.30E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231289
PNG
(CHEMBL4096292)
Show SMILES COc1cccc(c1)-c1nc(co1)C(=O)n1cccn1
Show InChI InChI=1S/C14H11N3O3/c1-19-11-5-2-4-10(8-11)13-16-12(9-20-13)14(18)17-7-3-6-15-17/h2-9H,1H3
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n/an/a 5.90E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231314
PNG
(CHEMBL4064343)
Show SMILES Cc1cc(C)n(n1)C(=O)c1coc(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C16H15N3O2/c1-10-4-6-13(7-5-10)15-17-14(9-21-15)16(20)19-12(3)8-11(2)18-19/h4-9H,1-3H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231317
PNG
(CHEMBL4082110)
Show SMILES Cc1cc(C)n(n1)C(=O)c1coc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN3O2/c1-9-7-10(2)19(18-9)15(20)13-8-21-14(17-13)11-3-5-12(16)6-4-11/h3-8H,1-2H3
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n/an/a 8.40E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50231320
PNG
(CHEMBL4084152)
Show SMILES COc1ccc(cc1)-c1nc(co1)C(=O)n1cccn1
Show InChI InChI=1S/C14H11N3O3/c1-19-11-5-3-10(4-6-11)13-16-12(9-20-13)14(18)17-8-2-7-15-17/h2-9H,1H3
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n/an/a 8.40E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4D using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231309
PNG
(CHEMBL4078947)
Show SMILES Fc1ccc(cc1)-c1nc(co1)C(=O)n1cccn1
Show InChI InChI=1S/C13H8FN3O2/c14-10-4-2-9(3-5-10)12-16-11(8-19-12)13(18)17-7-1-6-15-17/h1-8H
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n/an/a 9.80E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50231313
PNG
(CHEMBL4085883)
Show SMILES COc1ccc(cc1)-c1nc(co1)C(=O)n1nc(C)cc1C
Show InChI InChI=1S/C16H15N3O3/c1-10-8-11(2)19(18-10)16(20)14-9-22-15(17-14)12-4-6-13(21-3)7-5-12/h4-9H,1-3H3
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n/an/a 1.06E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4D using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231318
PNG
(CHEMBL4089972)
Show SMILES Cc1cc(C)n(n1)C(=O)c1coc(n1)-c1ccc(O)cc1
Show InChI InChI=1S/C15H13N3O3/c1-9-7-10(2)18(17-9)15(20)13-8-21-14(16-13)11-3-5-12(19)6-4-11/h3-8,19H,1-2H3
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n/an/a 1.58E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231247
PNG
(CHEMBL4102125)
Show SMILES Cc1ccc(cc1)-c1nc(co1)C(=O)n1cccn1
Show InChI InChI=1S/C14H11N3O2/c1-10-3-5-11(6-4-10)13-16-12(9-19-13)14(18)17-8-2-7-15-17/h2-9H,1H3
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n/an/a 1.75E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231322
PNG
(CHEMBL4068076)
Show SMILES Oc1ccc(cc1)-c1nc(co1)C(=O)n1cccn1
Show InChI InChI=1S/C13H9N3O3/c17-10-4-2-9(3-5-10)12-15-11(8-19-12)13(18)16-7-1-6-14-16/h1-8,17H
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n/an/a 1.84E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231325
PNG
(CHEMBL4068883)
Show SMILES Cc1cc(C)n(n1)C(=O)c1coc(n1)-c1cccc(O)c1
Show InChI InChI=1S/C15H13N3O3/c1-9-6-10(2)18(17-9)15(20)13-8-21-14(16-13)11-4-3-5-12(19)7-11/h3-8,19H,1-2H3
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n/an/a 2.89E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231310
PNG
(CHEMBL4089261)
Show SMILES Oc1cccc(c1)-c1nc(co1)C(=O)n1cccn1
Show InChI InChI=1S/C13H9N3O3/c17-10-4-1-3-9(7-10)12-15-11(8-19-12)13(18)16-6-2-5-14-16/h1-8,17H
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n/an/a 3.97E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231319
PNG
(CHEMBL4079670)
Show SMILES Cc1cc(C)n(n1)C(=O)c1coc(n1)-c1cccc(F)c1
Show InChI InChI=1S/C15H12FN3O2/c1-9-6-10(2)19(18-9)15(20)13-8-21-14(17-13)11-4-3-5-12(16)7-11/h3-8H,1-2H3
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n/an/a 4.08E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231311
PNG
(CHEMBL4067056)
Show SMILES Fc1cccc(c1)-c1nc(co1)C(=O)n1cccn1
Show InChI InChI=1S/C13H8FN3O2/c14-10-4-1-3-9(7-10)12-16-11(8-19-12)13(18)17-6-2-5-15-17/h1-8H
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n/an/a 4.51E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231316
PNG
(CHEMBL4060219)
Show SMILES Cc1cc(C)n(n1)C(=O)c1coc(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H12BrN3O2/c1-9-7-10(2)19(18-9)15(20)13-8-21-14(17-13)11-3-5-12(16)6-4-11/h3-8H,1-2H3
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n/an/a 5.48E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231323
PNG
(CHEMBL4086798)
Show SMILES Cc1cc(C)n(n1)C(=O)c1coc(n1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O3/c1-9-7-10(2)18(17-9)15(20)12-8-21-14(16-12)11-5-3-4-6-13(11)19/h3-8,19H,1-2H3
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n/an/a 5.48E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231290
PNG
(CHEMBL4096961)
Show SMILES Brc1ccc(cc1)-c1nc(co1)C(=O)n1cccn1
Show InChI InChI=1S/C13H8BrN3O2/c14-10-4-2-9(3-5-10)12-16-11(8-19-12)13(18)17-7-1-6-15-17/h1-8H
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n/an/a 5.87E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231315
PNG
(CHEMBL4071585)
Show SMILES Cc1cc(C)n(n1)C(=O)c1coc(n1)-c1ccccc1
Show InChI InChI=1S/C15H13N3O2/c1-10-8-11(2)18(17-10)15(19)13-9-20-14(16-13)12-6-4-3-5-7-12/h3-9H,1-2H3
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n/an/a 7.58E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231246
PNG
(CHEMBL4064162)
Show SMILES Oc1ccccc1-c1nc(co1)C(=O)n1cccn1
Show InChI InChI=1S/C13H9N3O3/c17-11-5-2-1-4-9(11)12-15-10(8-19-12)13(18)16-7-3-6-14-16/h1-8,17H
PDB

UniProtKB/SwissProt

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PubMed
n/an/a 8.56E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50231321
PNG
(CHEMBL4069028)
Show SMILES O=C(c1coc(n1)-c1ccccc1)n1cccn1
Show InChI InChI=1S/C13H9N3O2/c17-13(16-8-4-7-14-16)11-9-18-12(15-11)10-5-2-1-3-6-10/h1-9H
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem

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Article
PubMed
n/an/a 8.87E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 25: 1852-1859 (2017)


Article DOI: 10.1016/j.bmc.2017.01.047
BindingDB Entry DOI: 10.7270/Q2MG7RS3
More data for this
Ligand-Target Pair