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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50008888   
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))
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 150n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50208314
PNG
(CHEMBL3884788)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C18H16ClF2NO3/c19-13-3-1-2-4-14(13)22-17(23)12-7-8-15(25-18(20)21)16(9-12)24-10-11-5-6-11/h1-4,7-9,11,18H,5-6,10H2,(H,22,23)
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n/an/a 170n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523325
PNG
(CHEMBL4541773)
Show SMILES COc1ccc(CNc2cccnc2)cc1-c1cccc(F)c1
Show InChI InChI=1S/C19H17FN2O/c1-23-19-8-7-14(12-22-17-6-3-9-21-13-17)10-18(19)15-4-2-5-16(20)11-15/h2-11,13,22H,12H2,1H3
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n/an/a 340n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523322
PNG
(CHEMBL4546037)
Show SMILES COc1cccc(c1)-c1cc(CNc2cccnc2)ccc1OC
Show InChI InChI=1S/C20H20N2O2/c1-23-18-7-3-5-16(12-18)19-11-15(8-9-20(19)24-2)13-22-17-6-4-10-21-14-17/h3-12,14,22H,13H2,1-2H3
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Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523316
PNG
(CHEMBL4573347)
Show SMILES Fc1cccc(c1)-c1cc(CNc2cccnc2)cc2CCOc12
Show InChI InChI=1S/C20H17FN2O/c21-17-4-1-3-15(11-17)19-10-14(9-16-6-8-24-20(16)19)12-23-18-5-2-7-22-13-18/h1-5,7,9-11,13,23H,6,8,12H2
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n/an/a 790n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523315
PNG
(CHEMBL4543827)
Show SMILES Clc1cccc(c1)-c1cc(CNc2cccnc2)cc2CCOc12
Show InChI InChI=1S/C20H17ClN2O/c21-17-4-1-3-15(11-17)19-10-14(9-16-6-8-24-20(16)19)12-23-18-5-2-7-22-13-18/h1-5,7,9-11,13,23H,6,8,12H2
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n/an/a 940n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523312
PNG
(CHEMBL4520930)
Show SMILES COc1ccc(CNc2cccnc2)cc1-c1cccc(Cl)c1
Show InChI InChI=1S/C19H17ClN2O/c1-23-19-8-7-14(12-22-17-6-3-9-21-13-17)10-18(19)15-4-2-5-16(20)11-15/h2-11,13,22H,12H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523323
PNG
(CHEMBL4547053)
Show SMILES COc1ccc(CN2CCOCC2)cc1-c1cccc(Cl)c1
Show InChI InChI=1S/C18H20ClNO2/c1-21-18-6-5-14(13-20-7-9-22-10-8-20)11-17(18)15-3-2-4-16(19)12-15/h2-6,11-12H,7-10,13H2,1H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523305
PNG
(CHEMBL4459599)
Show SMILES COc1ccc(CN2CCOCC2)cc1-c1cccc(F)c1
Show InChI InChI=1S/C18H20FNO2/c1-21-18-6-5-14(13-20-7-9-22-10-8-20)11-17(18)15-3-2-4-16(19)12-15/h2-6,11-12H,7-10,13H2,1H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523324
PNG
(CHEMBL4437859)
Show SMILES FC(F)Oc1ccc(CN2CCOCC2)cc1-c1cccc(Cl)c1
Show InChI InChI=1S/C18H18ClF2NO2/c19-15-3-1-2-14(11-15)16-10-13(4-5-17(16)24-18(20)21)12-22-6-8-23-9-7-22/h1-5,10-11,18H,6-9,12H2
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n/an/a 4.10E+3n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523313
PNG
(CHEMBL4455862)
Show SMILES COc1ccc(NCc2ccc(OC)c(c2)-c2cccc(Cl)c2)cn1
Show InChI InChI=1S/C20H19ClN2O2/c1-24-19-8-6-14(10-18(19)15-4-3-5-16(21)11-15)12-22-17-7-9-20(25-2)23-13-17/h3-11,13,22H,12H2,1-2H3
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Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523311
PNG
(CHEMBL4466060)
Show SMILES COc1ccc(CN2CCC(O)CC2)cc1-c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO2/c1-23-19-6-5-14(13-21-9-7-17(22)8-10-21)11-18(19)15-3-2-4-16(20)12-15/h2-6,11-12,17,22H,7-10,13H2,1H3
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Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523310
PNG
(CHEMBL4552861)
Show SMILES COc1ccc(CN2CCCC(C)C2)cc1-c1cccc(Cl)c1
Show InChI InChI=1S/C20H24ClNO/c1-15-5-4-10-22(13-15)14-16-8-9-20(23-2)19(11-16)17-6-3-7-18(21)12-17/h3,6-9,11-12,15H,4-5,10,13-14H2,1-2H3
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Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523317
PNG
(CHEMBL4574153)
Show SMILES COc1ccc(CNc2ccc(F)cc2)cc1-c1cccc(Cl)c1
Show InChI InChI=1S/C20H17ClFNO/c1-24-20-10-5-14(13-23-18-8-6-17(22)7-9-18)11-19(20)15-3-2-4-16(21)12-15/h2-12,23H,13H2,1H3
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Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523309
PNG
(CHEMBL4474581)
Show SMILES COc1ccc(CN[C@@H](Cc2ccccc2)C(O)=O)cc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO3/c1-28-22-11-10-17(12-20(22)18-8-5-9-19(24)14-18)15-25-21(23(26)27)13-16-6-3-2-4-7-16/h2-12,14,21,25H,13,15H2,1H3,(H,26,27)/t21-/m0/s1
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Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523306
PNG
(CHEMBL4461922)
Show SMILES COC(=O)c1ccc(NCc2ccc(OC)c(c2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C22H20ClNO3/c1-26-21-11-6-15(12-20(21)17-4-3-5-18(23)13-17)14-24-19-9-7-16(8-10-19)22(25)27-2/h3-13,24H,14H2,1-2H3
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Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523307
PNG
(CHEMBL4466141)
Show SMILES COc1ccc(NCc2ccc(OC)c(c2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C21H20ClNO2/c1-24-19-9-7-18(8-10-19)23-14-15-6-11-21(25-2)20(12-15)16-4-3-5-17(22)13-16/h3-13,23H,14H2,1-2H3
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Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523319
PNG
(CHEMBL4468688)
Show SMILES COc1ccc(CNc2ccccn2)cc1-c1cccc(Cl)c1
Show InChI InChI=1S/C19H17ClN2O/c1-23-18-9-8-14(13-22-19-7-2-3-10-21-19)11-17(18)15-5-4-6-16(20)12-15/h2-12H,13H2,1H3,(H,21,22)
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Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523314
PNG
(CHEMBL4434810)
Show SMILES FC(F)Oc1ccc(CNc2cccnc2)cc1-c1cccc(Cl)c1
Show InChI InChI=1S/C19H15ClF2N2O/c20-15-4-1-3-14(10-15)17-9-13(6-7-18(17)25-19(21)22)11-24-16-5-2-8-23-12-16/h1-10,12,19,24H,11H2
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Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523320
PNG
(CHEMBL4581495)
Show SMILES COc1ccc(CNc2ccc(Cl)cc2)cc1-c1cccc(Cl)c1
Show InChI InChI=1S/C20H17Cl2NO/c1-24-20-10-5-14(13-23-18-8-6-16(21)7-9-18)11-19(20)15-3-2-4-17(22)12-15/h2-12,23H,13H2,1H3
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Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523321
PNG
(CHEMBL4543592)
Show SMILES COc1ccc(CN[C@@H](C(C)C)C(O)=O)cc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C19H22ClNO3/c1-12(2)18(19(22)23)21-11-13-7-8-17(24-3)16(9-13)14-5-4-6-15(20)10-14/h4-10,12,18,21H,11H2,1-3H3,(H,22,23)/t18-/m0/s1
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Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523308
PNG
(CHEMBL4535802)
Show SMILES COc1ccc(CNc2cccc(c2)N(C)C)cc1-c1cccc(Cl)c1
Show InChI InChI=1S/C22H23ClN2O/c1-25(2)20-9-5-8-19(14-20)24-15-16-10-11-22(26-3)21(12-16)17-6-4-7-18(23)13-17/h4-14,24H,15H2,1-3H3
PDB

UniProtKB/SwissProt

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PC cid
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UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50523318
PNG
(CHEMBL4437139)
Show SMILES COc1ccc(CN[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)cc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H23ClN2O3/c1-31-24-10-9-16(11-21(24)17-5-4-6-19(26)12-17)14-27-23(25(29)30)13-18-15-28-22-8-3-2-7-20(18)22/h2-12,15,23,27-28H,13-14H2,1H3,(H,29,30)/t23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr b...


Eur J Med Chem 168: 221-231 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.026
BindingDB Entry DOI: 10.7270/Q28W3HQT
More data for this
Ligand-Target Pair