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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 = 'BDBM50176377'   
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))
BDBM50176377
PNG
((R)-2-(4-fluorophenoxy)-N-(1-(thiophen-2-yl)ethyl)...)
Show SMILES C[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1)c1cccs1
Show InChI InChI=1S/C18H15FN2O2S/c1-12(16-5-3-11-24-16)21-17(22)15-4-2-10-20-18(15)23-14-8-6-13(19)7-9-14/h2-12H,1H3,(H,21,22)/t12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 185n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 16: 718-21 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.026
BindingDB Entry DOI: 10.7270/Q2348JXP
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50176377
PNG
((R)-2-(4-fluorophenoxy)-N-(1-(thiophen-2-yl)ethyl)...)
Show SMILES C[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1)c1cccs1
Show InChI InChI=1S/C18H15FN2O2S/c1-12(16-5-3-11-24-16)21-17(22)15-4-2-10-20-18(15)23-14-8-6-13(19)7-9-14/h2-12H,1H3,(H,21,22)/t12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 925n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of release of TNF alpha in human whole blood


Bioorg Med Chem Lett 16: 718-21 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.026
BindingDB Entry DOI: 10.7270/Q2348JXP
More data for this
Ligand-Target Pair