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Compile Data Set for Download or QSAR

Found 355 hits with Last Name = 'cui' and Initial = 'zn'   
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
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM23406
PNG
((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37|
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
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440n/an/an/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50613842
PNG
(CHEMBL5290630)
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2.04E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50613827
PNG
(CHEMBL1454708)
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3.67E+5n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50613821
PNG
(CHEMBL4854113)
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n/an/a 82n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50613819
PNG
(CHEMBL3944972)
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n/an/a 120n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50613820
PNG
(CHEMBL4855744)
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n/an/a 186n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50502852
PNG
(CHEMBL4464755)
Show SMILES COc1ccccc1NC(=O)C1Cc2cc(OC3CCCC3)c(OC)cc2C(=N1)c1ccccc1 |c:30|
Show InChI InChI=1S/C29H30N2O4/c1-33-25-15-9-8-14-23(25)31-29(32)24-16-20-17-27(35-21-12-6-7-13-21)26(34-2)18-22(20)28(30-24)19-10-4-3-5-11-19/h3-5,8-11,14-15,17-18,21,24H,6-7,12-13,16H2,1-2H3,(H,31,32)
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n/an/a 220n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B in human U937 cells using [3H] cAMP as substrate incubated for 30 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126720
BindingDB Entry DOI: 10.7270/Q25X2D6W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50502858
PNG
(CHEMBL4451855)
Show SMILES COc1cc2C(=NC(Cc2cc1OC1CCCC1)C(=O)Nc1ccccc1OC(F)(F)F)c1ccccc1 |c:5|
Show InChI InChI=1S/C29H27F3N2O4/c1-36-25-17-21-19(16-26(25)37-20-11-5-6-12-20)15-23(33-27(21)18-9-3-2-4-10-18)28(35)34-22-13-7-8-14-24(22)38-29(30,31)32/h2-4,7-10,13-14,16-17,20,23H,5-6,11-12,15H2,1H3,(H,34,35)
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n/an/a 380n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B in human U937 cells using [3H] cAMP as substrate incubated for 30 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126720
BindingDB Entry DOI: 10.7270/Q25X2D6W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50261615
PNG
(CHEMBL4076662)
Show SMILES COc1cc2CC3COC(=O)N3Cc2cc1OC1CCCC1
Show InChI InChI=1S/C17H21NO4/c1-20-15-7-11-6-13-10-21-17(19)18(13)9-12(11)8-16(15)22-14-4-2-3-5-14/h7-8,13-14H,2-6,9-10H2,1H3
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n/an/a 600n/an/an/an/an/an/a



State Key Laboratory for Conservation and Utilization of Subtropical Agro-bioresources, South China Agricultural University, Guangzhou 510642, China; College of Materials and Energy, South China Agri

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP incubated for 30 mins


Bioorg Med Chem 25: 5709-5717 (2017)


Article DOI: 10.1016/j.bmc.2017.08.045
BindingDB Entry DOI: 10.7270/Q2PG1V62
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50613842
PNG
(CHEMBL5290630)
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n/an/a 645n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50502854
PNG
(CHEMBL4574643)
Show SMILES COc1cc2C(=NC(Cc2cc1OC1CCCC1)C(=O)Nc1ccccc1Cl)c1ccccc1 |c:5|
Show InChI InChI=1S/C28H27ClN2O3/c1-33-25-17-21-19(16-26(25)34-20-11-5-6-12-20)15-24(30-27(21)18-9-3-2-4-10-18)28(32)31-23-14-8-7-13-22(23)29/h2-4,7-10,13-14,16-17,20,24H,5-6,11-12,15H2,1H3,(H,31,32)
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n/an/a 1.05E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B in human U937 cells using [3H] cAMP as substrate incubated for 30 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126720
BindingDB Entry DOI: 10.7270/Q25X2D6W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50185726
PNG
(CHEMBL3823385)
Show SMILES COc1ccc(cc1)-c1ccc(o1)C(=O)n1cncn1
Show InChI InChI=1S/C14H11N3O3/c1-19-11-4-2-10(3-5-11)12-6-7-13(20-12)14(18)17-9-15-8-16-17/h2-9H,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 3632-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.002
BindingDB Entry DOI: 10.7270/Q27946MZ
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50613822
PNG
(CHEMBL5273406)
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA



Citation and Details
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 1.22E+3n/an/an/an/an/an/a



State Key Laboratory for Conservation and Utilization of Subtropical Agro-bioresources, South China Agricultural University, Guangzhou 510642, China; College of Materials and Energy, South China Agri

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP incubated for 30 mins


Bioorg Med Chem 25: 5709-5717 (2017)


Article DOI: 10.1016/j.bmc.2017.08.045
BindingDB Entry DOI: 10.7270/Q2PG1V62
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50261619
PNG
(CHEMBL4075410)
Show SMILES COc1cc2CC3COC(=O)N3Cc2cc1OCC1CC1
Show InChI InChI=1S/C16H19NO4/c1-19-14-5-11-4-13-9-21-16(18)17(13)7-12(11)6-15(14)20-8-10-2-3-10/h5-6,10,13H,2-4,7-9H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



State Key Laboratory for Conservation and Utilization of Subtropical Agro-bioresources, South China Agricultural University, Guangzhou 510642, China; College of Materials and Energy, South China Agri

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP incubated for 30 mins


Bioorg Med Chem 25: 5709-5717 (2017)


Article DOI: 10.1016/j.bmc.2017.08.045
BindingDB Entry DOI: 10.7270/Q2PG1V62
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50261618
PNG
(CHEMBL4061114)
Show SMILES COc1cc2CC3COC(=O)N3C(C)c2cc1OC1CCCC1
Show InChI InChI=1S/C18H23NO4/c1-11-15-9-17(23-14-5-3-4-6-14)16(21-2)8-12(15)7-13-10-22-18(20)19(11)13/h8-9,11,13-14H,3-7,10H2,1-2H3
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n/an/a 1.35E+3n/an/an/an/an/an/a



State Key Laboratory for Conservation and Utilization of Subtropical Agro-bioresources, South China Agricultural University, Guangzhou 510642, China; College of Materials and Energy, South China Agri

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP incubated for 30 mins


Bioorg Med Chem 25: 5709-5717 (2017)


Article DOI: 10.1016/j.bmc.2017.08.045
BindingDB Entry DOI: 10.7270/Q2PG1V62
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50502852
PNG
(CHEMBL4464755)
Show SMILES COc1ccccc1NC(=O)C1Cc2cc(OC3CCCC3)c(OC)cc2C(=N1)c1ccccc1 |c:30|
Show InChI InChI=1S/C29H30N2O4/c1-33-25-15-9-8-14-23(25)31-29(32)24-16-20-17-27(35-21-12-6-7-13-21)26(34-2)18-22(20)28(30-24)19-10-4-3-5-11-19/h3-5,8-11,14-15,17-18,21,24H,6-7,12-13,16H2,1-2H3,(H,31,32)
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n/an/a 1.36E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B in human PBMC assessed as inhibition in LPS-induced TNFalpha production preincubated for 30 mins followed by LPS stimulation for ...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126720
BindingDB Entry DOI: 10.7270/Q25X2D6W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50565796
PNG
(CHEMBL4780773)
Show SMILES COc1ccc(cc1)-c1nc(co1)C(=O)N1CCS\C1=N\C#N
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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human U-937 cells derived PDE4B using [3H] cAMP as substrate measured after 30 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112795
BindingDB Entry DOI: 10.7270/Q2MK6HN2
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 1.43E+3n/an/an/an/an/an/a



State Key Laboratory for Conservation and Utilization of Subtropical Agro-bioresources, South China Agricultural University, Guangzhou 510642, China; College of Materials and Energy, South China Agri

Curated by ChEMBL


Assay Description
Inhibition of PDE4D isolated from human U937 cells using [3H]-cAMP incubated for 30 mins


Bioorg Med Chem 25: 5709-5717 (2017)


Article DOI: 10.1016/j.bmc.2017.08.045
BindingDB Entry DOI: 10.7270/Q2PG1V62
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50466937
PNG
(CHEMBL4170548)
Show SMILES COc1ccc(cc1)-c1ccc(o1)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C21H19NO3/c1-24-17-10-8-16(9-11-17)19-12-13-20(25-19)21(23)22-14-4-6-15-5-2-3-7-18(15)22/h2-3,5,7-13H,4,6,14H2,1H3
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n/an/a 1.50E+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 Lett 28: 3271-3275 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.068
BindingDB Entry DOI: 10.7270/Q2057JMP
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 1.50E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 3632-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.002
BindingDB Entry DOI: 10.7270/Q27946MZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM50502858
PNG
(CHEMBL4451855)
Show SMILES COc1cc2C(=NC(Cc2cc1OC1CCCC1)C(=O)Nc1ccccc1OC(F)(F)F)c1ccccc1 |c:5|
Show InChI InChI=1S/C29H27F3N2O4/c1-36-25-17-21-19(16-26(25)37-20-11-5-6-12-20)15-23(33-27(21)18-9-3-2-4-10-18)28(35)34-22-13-7-8-14-24(22)38-29(30,31)32/h2-4,7-10,13-14,16-17,20,23H,5-6,11-12,15H2,1H3,(H,34,35)
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n/an/a 1.65E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B in human PBMC assessed as inhibition in LPS-induced TNFalpha production preincubated for 30 mins followed by LPS stimulation for ...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126720
BindingDB Entry DOI: 10.7270/Q25X2D6W
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 1.69E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4D in human U937 cells using [3H]cAMP as substrate incubated for 30 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126720
BindingDB Entry DOI: 10.7270/Q25X2D6W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50466922
PNG
(CHEMBL4292472)
Show SMILES COc1ccc(cc1)-c1ccc(o1)C(=O)n1nc(C)cc1C
Show InChI InChI=1S/C17H16N2O3/c1-11-10-12(2)19(18-11)17(20)16-9-8-15(22-16)13-4-6-14(21-3)7-5-13/h4-10H,1-3H3
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n/an/a 1.70E+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 measured after 30 mins


Bioorg Med Chem Lett 28: 3276-3280 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.031
BindingDB Entry DOI: 10.7270/Q23X89B3
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))
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 1.82E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B in human U937 cells using [3H] cAMP as substrate incubated for 30 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126720
BindingDB Entry DOI: 10.7270/Q25X2D6W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50502864
PNG
(CHEMBL4571089)
Show SMILES COc1cc2C(=NC(Cc2cc1OC1CCCC1)C(=O)Nc1ccccc1F)c1ccccc1 |c:5|
Show InChI InChI=1S/C28H27FN2O3/c1-33-25-17-21-19(16-26(25)34-20-11-5-6-12-20)15-24(30-27(21)18-9-3-2-4-10-18)28(32)31-23-14-8-7-13-22(23)29/h2-4,7-10,13-14,16-17,20,24H,5-6,11-12,15H2,1H3,(H,31,32)
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n/an/a 1.85E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B in human U937 cells using [3H] cAMP as substrate incubated for 30 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126720
BindingDB Entry DOI: 10.7270/Q25X2D6W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50502853
PNG
(CHEMBL4578186)
Show SMILES COc1cc2C(=NC(Cc2cc1OC1CCCC1)C(=O)Nc1ccccn1)c1ccccc1 |c:5|
Show InChI InChI=1S/C27H27N3O3/c1-32-23-17-21-19(16-24(23)33-20-11-5-6-12-20)15-22(27(31)30-25-13-7-8-14-28-25)29-26(21)18-9-3-2-4-10-18/h2-4,7-10,13-14,16-17,20,22H,5-6,11-12,15H2,1H3,(H,28,30,31)
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n/an/a 1.85E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B in human U937 cells using [3H] cAMP as substrate incubated for 30 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126720
BindingDB Entry DOI: 10.7270/Q25X2D6W
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 1.90E+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 measured after 30 mins


Bioorg Med Chem Lett 28: 3276-3280 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.031
BindingDB Entry DOI: 10.7270/Q23X89B3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50613835
PNG
(CHEMBL5269485)
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n/an/a 1.94E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50261613
PNG
(CHEMBL4063909)
Show SMILES COc1cc2CC3COC(=O)N3C(c3ccccc3)c2cc1OC1CCCC1
Show InChI InChI=1S/C23H25NO4/c1-26-20-12-16-11-17-14-27-23(25)24(17)22(15-7-3-2-4-8-15)19(16)13-21(20)28-18-9-5-6-10-18/h2-4,7-8,12-13,17-18,22H,5-6,9-11,14H2,1H3
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n/an/a 1.95E+3n/an/an/an/an/an/a



State Key Laboratory for Conservation and Utilization of Subtropical Agro-bioresources, South China Agricultural University, Guangzhou 510642, China; College of Materials and Energy, South China Agri

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP incubated for 30 mins


Bioorg Med Chem 25: 5709-5717 (2017)


Article DOI: 10.1016/j.bmc.2017.08.045
BindingDB Entry DOI: 10.7270/Q2PG1V62
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 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human U-937 cells derived PDE4B using [3H] cAMP as substrate measured after 30 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112795
BindingDB Entry DOI: 10.7270/Q2MK6HN2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 2.00E+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 Lett 28: 3271-3275 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.068
BindingDB Entry DOI: 10.7270/Q2057JMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50502859
PNG
(CHEMBL4585341)
Show SMILES COC(=O)CNC(=O)C1Cc2cc(OC3CCCC3)c(OC)cc2C(=N1)c1ccccc1 |c:26|
Show InChI InChI=1S/C25H28N2O5/c1-30-21-14-19-17(13-22(21)32-18-10-6-7-11-18)12-20(25(29)26-15-23(28)31-2)27-24(19)16-8-4-3-5-9-16/h3-5,8-9,13-14,18,20H,6-7,10-12,15H2,1-2H3,(H,26,29)
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n/an/a 2.03E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B in human U937 cells using [3H] cAMP as substrate incubated for 30 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126720
BindingDB Entry DOI: 10.7270/Q25X2D6W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50261612
PNG
(CHEMBL4099426)
Show SMILES COc1cc2CC3COC(=O)N3C(C3CCCCC3)c2cc1OC1CCCC1
Show InChI InChI=1S/C23H31NO4/c1-26-20-12-16-11-17-14-27-23(25)24(17)22(15-7-3-2-4-8-15)19(16)13-21(20)28-18-9-5-6-10-18/h12-13,15,17-18,22H,2-11,14H2,1H3
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n/an/a 2.06E+3n/an/an/an/an/an/a



State Key Laboratory for Conservation and Utilization of Subtropical Agro-bioresources, South China Agricultural University, Guangzhou 510642, China; College of Materials and Energy, South China Agri

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP incubated for 30 mins


Bioorg Med Chem 25: 5709-5717 (2017)


Article DOI: 10.1016/j.bmc.2017.08.045
BindingDB Entry DOI: 10.7270/Q2PG1V62
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50261617
PNG
(CHEMBL4072507)
Show SMILES CCCCCCC1N2C(COC2=O)Cc2cc(OC)c(OC3CCCC3)cc12
Show InChI InChI=1S/C23H33NO4/c1-3-4-5-6-11-20-19-14-22(28-18-9-7-8-10-18)21(26-2)13-16(19)12-17-15-27-23(25)24(17)20/h13-14,17-18,20H,3-12,15H2,1-2H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



State Key Laboratory for Conservation and Utilization of Subtropical Agro-bioresources, South China Agricultural University, Guangzhou 510642, China; College of Materials and Energy, South China Agri

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP incubated for 30 mins


Bioorg Med Chem 25: 5709-5717 (2017)


Article DOI: 10.1016/j.bmc.2017.08.045
BindingDB Entry DOI: 10.7270/Q2PG1V62
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50613847
PNG
(CHEMBL5275756)
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n/an/a 2.22E+3n/an/an/an/an/an/a


TBA



Citation and Details
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 2.50E+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 measured after 30 mins


Bioorg Med Chem Lett 28: 3276-3280 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.031
BindingDB Entry DOI: 10.7270/Q23X89B3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50466951
PNG
(CHEMBL4167824)
Show SMILES Fc1ccc(-c2ccc(o2)C(=O)N2CCCc3ccccc23)c(F)c1
Show InChI InChI=1S/C20H15F2NO2/c21-14-7-8-15(16(22)12-14)18-9-10-19(25-18)20(24)23-11-3-5-13-4-1-2-6-17(13)23/h1-2,4,6-10,12H,3,5,11H2
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n/an/a 2.60E+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 Lett 28: 3271-3275 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.068
BindingDB Entry DOI: 10.7270/Q2057JMP
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50466958
PNG
(CHEMBL4167454)
Show SMILES COc1ccc(cc1)-c1ccc(o1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C21H19NO3/c1-24-18-8-6-16(7-9-18)19-10-11-20(25-19)21(23)22-13-12-15-4-2-3-5-17(15)14-22/h2-11H,12-14H2,1H3
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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 Lett 28: 3271-3275 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.068
BindingDB Entry DOI: 10.7270/Q2057JMP
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50613836
PNG
(CHEMBL5265847)
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n/an/a 2.61E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50261614
PNG
(CHEMBL4082992)
Show SMILES COc1cc2CC3COC(=O)N3Cc2cc1OC1CCCCC1
Show InChI InChI=1S/C18H23NO4/c1-21-16-8-12-7-14-11-22-18(20)19(14)10-13(12)9-17(16)23-15-5-3-2-4-6-15/h8-9,14-15H,2-7,10-11H2,1H3
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n/an/a 2.62E+3n/an/an/an/an/an/a



State Key Laboratory for Conservation and Utilization of Subtropical Agro-bioresources, South China Agricultural University, Guangzhou 510642, China; College of Materials and Energy, South China Agri

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP incubated for 30 mins


Bioorg Med Chem 25: 5709-5717 (2017)


Article DOI: 10.1016/j.bmc.2017.08.045
BindingDB Entry DOI: 10.7270/Q2PG1V62
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 2.80E+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 Lett 28: 3271-3275 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.068
BindingDB Entry DOI: 10.7270/Q2057JMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50565785
PNG
(CHEMBL4799425)
Show SMILES COc1ccc(cc1)-c1ccc(o1)C(=O)N1CCS\C1=N\C#N
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n/an/a 2.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human U-937 cells derived PDE4B using [3H] cAMP as substrate measured after 30 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112795
BindingDB Entry DOI: 10.7270/Q2MK6HN2
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 2.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human U-937 cells derived PDE4D using [3H] cAMP as substrate measured after 30 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112795
BindingDB Entry DOI: 10.7270/Q2MK6HN2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50185739
PNG
(CHEMBL3823670)
Show SMILES COc1ccc(cc1)-c1ccc(o1)C(=O)n1cccn1
Show InChI InChI=1S/C15H12N2O3/c1-19-12-5-3-11(4-6-12)13-7-8-14(20-13)15(18)17-10-2-9-16-17/h2-10H,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 3632-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.002
BindingDB Entry DOI: 10.7270/Q27946MZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50466945
PNG
(CHEMBL4176569)
Show SMILES Fc1ccc(-c2ccc(o2)C(=O)N2CCc3ccccc3C2)c(F)c1
Show InChI InChI=1S/C20H15F2NO2/c21-15-5-6-16(17(22)11-15)18-7-8-19(25-18)20(24)23-10-9-13-3-1-2-4-14(13)12-23/h1-8,11H,9-10,12H2
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n/an/a 3.00E+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 Lett 28: 3271-3275 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.068
BindingDB Entry DOI: 10.7270/Q2057JMP
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50466925
PNG
(CHEMBL4294394)
Show SMILES Cc1cc(C)n(n1)C(=O)c1ccc(o1)-c1ccc(F)cc1F
Show InChI InChI=1S/C16H12F2N2O2/c1-9-7-10(2)20(19-9)16(21)15-6-5-14(22-15)12-4-3-11(17)8-13(12)18/h3-8H,1-2H3
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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 measured after 30 mins


Bioorg Med Chem Lett 28: 3276-3280 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.031
BindingDB Entry DOI: 10.7270/Q23X89B3
More data for this
Ligand-Target Pair
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
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