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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 = 'BDBM50017317'   
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))
BDBM50017317
PNG
(CHEMBL3288003)
Show SMILES Oc1ccc(c(CN2CCOCC2)c1)-c1cccc(Oc2ncc(F)cc2C(=O)N[C@H]2CC[C@H](CC2)NC(=O)c2ncccc2O)c1 |r,wU:33.39,30.32,(32.12,-20.38,;30.78,-19.62,;29.45,-20.4,;28.11,-19.64,;28.1,-18.09,;29.43,-17.31,;29.41,-15.77,;30.74,-14.99,;32.08,-15.76,;33.4,-14.99,;33.4,-13.45,;32.06,-12.69,;30.73,-13.46,;30.76,-18.07,;26.77,-17.33,;25.43,-18.12,;24.09,-17.34,;24.09,-15.8,;25.43,-15.04,;25.43,-13.49,;24.09,-12.72,;22.75,-13.5,;21.41,-12.72,;21.41,-11.18,;20.08,-10.41,;22.75,-10.41,;24.08,-11.17,;25.42,-10.4,;25.41,-8.85,;26.75,-11.16,;28.08,-10.39,;28.08,-8.85,;29.42,-8.08,;30.76,-8.85,;30.75,-10.39,;29.43,-11.16,;32.1,-8.07,;33.43,-8.85,;33.43,-10.39,;34.76,-8.08,;36.09,-8.86,;37.42,-8.09,;37.42,-6.55,;36.08,-5.79,;34.76,-6.55,;33.42,-5.79,;26.76,-15.79,)|
Show InChI InChI=1S/C35H36FN5O6/c36-24-19-30(33(44)39-25-6-8-26(9-7-25)40-34(45)32-31(43)5-2-12-37-32)35(38-20-24)47-28-4-1-3-22(18-28)29-11-10-27(42)17-23(29)21-41-13-15-46-16-14-41/h1-5,10-12,17-20,25-26,42-43H,6-9,13-16,21H2,(H,39,44)(H,40,45)/t25-,26+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.126n/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