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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4B' and Ligand = 'BDBM50236078'   
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))
BDBM50236078
PNG
(5-(3-(cyclopentyloxy)-4-methoxybenzylidene)-2-thio...)
Show SMILES COc1ccc(C=C2SC(S)=NC2=O)cc1OC1CCCC1 |w:6.5,c:10|
Show InChI InChI=1S/C16H17NO3S2/c1-19-12-7-6-10(9-14-15(18)17-16(21)22-14)8-13(12)20-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,17,18,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 890n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


J Med Chem 51: 5471-89 (2008)


Article DOI: 10.1021/jm800582j
BindingDB Entry DOI: 10.7270/Q2GQ6ZNK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50236078
PNG
(5-(3-(cyclopentyloxy)-4-methoxybenzylidene)-2-thio...)
Show SMILES COc1ccc(C=C2SC(S)=NC2=O)cc1OC1CCCC1 |w:6.5,c:10|
Show InChI InChI=1S/C16H17NO3S2/c1-19-12-7-6-10(9-14-15(18)17-16(21)22-14)8-13(12)20-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,17,18,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 890n/an/an/an/an/an/a



University of Paisley

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 18: 2032-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.117
BindingDB Entry DOI: 10.7270/Q2BG2PVS
More data for this
Ligand-Target Pair