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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4B' and Ligand = 'BDBM50248919'   
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))
BDBM50248919
PNG
((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Show SMILES CCOc1cc(ccc1OC)[C@@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O |r|
Show InChI InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1
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US Patent
n/an/a 16.5n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
The enzyme activity was indicated by measuring the AMP/GMP expression and tracing AMP/GMP antibody binding based on fluorescence polarization in the ...


US Patent US10662189 (2020)


BindingDB Entry DOI: 10.7270/Q27D2Z5H
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50248919
PNG
((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Show SMILES CCOc1cc(ccc1OC)[C@@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O |r|
Show InChI InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1
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Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Tetra Discovery Partners, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...


J Med Chem 62: 4884-4901 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00193
BindingDB Entry DOI: 10.7270/Q26H4MVT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50248919
PNG
((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Show SMILES CCOc1cc(ccc1OC)[C@@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O |r|
Show InChI InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1
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Article
PubMed
n/an/a 27n/an/an/an/an/an/a



University of Hyderabad Campus

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)


Eur J Med Chem 174: 198-215 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.020
BindingDB Entry DOI: 10.7270/Q2G44TQ6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50248919
PNG
((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Show SMILES CCOc1cc(ccc1OC)[C@@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O |r|
Show InChI InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma


J Med Chem 61: 2472-2489 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01751
BindingDB Entry DOI: 10.7270/Q2HQ42BB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50248919
PNG
((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Show SMILES CCOc1cc(ccc1OC)[C@@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O |r|
Show InChI InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1
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n/an/a 74n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...


Citation and Details

Article DOI: 10.1016/j.bmc.2016.09.011
BindingDB Entry DOI: 10.7270/Q2N58R28
More data for this
Ligand-Target Pair