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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 = 'BDBM50017322'   
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))
BDBM50017322
PNG
(CHEMBL3288007)
Show SMILES CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@H]2CC[C@H](CC2)NC(=O)c2cccc3ocnc23)c1 |r,wU:30.35,27.28,(12.24,-28.55,;10.9,-27.78,;10.89,-26.25,;9.57,-28.56,;9.58,-30.1,;10.92,-30.86,;10.94,-32.42,;12.28,-33.17,;9.6,-33.19,;8.27,-32.43,;8.26,-30.88,;6.92,-30.12,;5.59,-30.91,;4.25,-30.13,;4.25,-28.59,;5.58,-27.82,;5.58,-26.28,;4.24,-25.51,;2.91,-26.29,;1.56,-25.51,;1.56,-23.96,;.23,-23.2,;2.9,-23.19,;4.24,-23.96,;5.57,-23.18,;5.57,-21.64,;6.91,-23.95,;8.24,-23.17,;8.24,-21.64,;9.58,-20.86,;10.91,-21.64,;10.91,-23.18,;9.58,-23.94,;12.26,-20.86,;13.59,-21.64,;13.59,-23.18,;14.92,-20.87,;14.92,-19.34,;16.24,-18.57,;17.58,-19.34,;17.58,-20.88,;18.71,-21.91,;18.08,-23.3,;16.56,-23.13,;16.25,-21.64,;6.92,-28.58,)|
Show InChI InChI=1S/C35H34FN5O5/c1-41(2)19-22-15-26(42)13-14-28(22)21-5-3-6-27(16-21)46-35-30(17-23(36)18-37-35)34(44)40-25-11-9-24(10-12-25)39-33(43)29-7-4-8-31-32(29)38-20-45-31/h3-8,13-18,20,24-25,42H,9-12,19H2,1-2H3,(H,39,43)(H,40,44)/t24-,25+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.316n/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