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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 = 'BDBM50017331'   
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))
BDBM50017331
PNG
(CHEMBL3288020)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cn4cc(F)ccc4n3)c2)C[C@@H](C)N1 |r,wU:30.35,27.28,1.0,48.54,(12.02,-41.43,;13.35,-40.66,;13.34,-39.13,;14.67,-38.36,;14.66,-36.83,;13.32,-36.07,;11.99,-36.84,;10.66,-36.08,;10.65,-34.54,;11.97,-33.76,;13.31,-34.52,;9.32,-33.77,;7.98,-34.56,;6.64,-33.79,;6.64,-32.25,;7.98,-31.48,;7.97,-29.94,;6.64,-29.17,;5.3,-29.94,;3.96,-29.17,;3.96,-27.62,;2.63,-26.85,;5.3,-26.85,;6.63,-27.61,;7.96,-26.84,;7.96,-25.3,;9.3,-27.6,;10.63,-26.83,;11.97,-27.6,;13.3,-26.84,;13.3,-25.3,;11.97,-24.52,;10.63,-25.3,;14.64,-24.52,;15.98,-25.3,;15.98,-26.84,;17.2,-24.35,;17.15,-22.82,;18.6,-22.3,;19.18,-20.88,;20.71,-20.67,;21.28,-19.24,;21.66,-21.89,;21.07,-23.32,;19.54,-23.53,;18.67,-24.79,;9.31,-32.24,;16,-39.11,;16,-40.65,;17.34,-41.41,;14.68,-41.42,)|
Show InChI InChI=1S/C39H41F2N7O3/c1-24-19-47(20-25(2)43-24)21-26-6-8-27(9-7-26)28-4-3-5-33(16-28)51-39-34(17-30(41)18-42-39)37(49)44-31-11-13-32(14-12-31)45-38(50)35-23-48-22-29(40)10-15-36(48)46-35/h3-10,15-18,22-25,31-32,43H,11-14,19-21H2,1-2H3,(H,44,49)(H,45,50)/t24-,25+,31-,32+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


J Med Chem 57: 4661-76 (2014)


Article DOI: 10.1021/jm5001216
BindingDB Entry DOI: 10.7270/Q2708302
More data for this
Ligand-Target Pair