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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4B' and Ligand = 'BDBM50379992'   
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))
BDBM50379992
PNG
(CHEMBL2012235)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3F)c(o2)[C@@H](N)C(C)C)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C26H23F5N4O3/c1-12(2)20(32)23-22(24(36)33-11-13-4-5-14(27)10-17(13)28)35-25(38-23)16-6-8-18(37-3)21-15(16)7-9-19(34-21)26(29,30)31/h4-10,12,20H,11,32H2,1-3H3,(H,33,36)/t20-/m0/s1
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PC sid
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Similars

Article
PubMed
n/an/a 0.360n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair