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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4B' and Ligand = 'BDBM50308512'   
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))
BDBM50308512
PNG
((5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-ox...)
Show SMILES CCCOc1cc(ccc1OC)[C@]1(C)CNC(=O)O1 |r|
Show InChI InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)/t14-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem 18: 2204-18 (2010)


Article DOI: 10.1016/j.bmc.2010.01.070
BindingDB Entry DOI: 10.7270/Q27945MJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50308512
PNG
((5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-ox...)
Show SMILES CCCOc1cc(ccc1OC)[C@]1(C)CNC(=O)O1 |r|
Show InChI InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)/t14-/m0/s1
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Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged PDE4B catalytic domain expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cAMP or [3H]cGMP as substrate...


J Med Chem 59: 7029-65 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01813
BindingDB Entry DOI: 10.7270/Q2RX9GJ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50308512
PNG
((5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-ox...)
Show SMILES CCCOc1cc(ccc1OC)[C@]1(C)CNC(=O)O1 |r|
Show InChI InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged PDE4B catalytic domain expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cAMP or [3H]cGMP as substrate...


J Med Chem 59: 7029-65 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01813
BindingDB Entry DOI: 10.7270/Q2RX9GJ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)