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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 = 'BDBM50379976'   
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))
BDBM50379976
PNG
(CHEMBL2012223)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H20ClF3N4O3/c1-12(29)21-20(22(33)30-11-13-3-5-14(25)6-4-13)32-23(35-21)16-7-9-17(34-2)19-15(16)8-10-18(31-19)24(26,27)28/h3-10,12H,11,29H2,1-2H3,(H,30,33)/t12-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.350n/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