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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 = 'BDBM50017337'   
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))
BDBM50017337
PNG
(CHEMBL3288026)
Show SMILES C[C@H]1CN(Cc2cccc(c2O)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc(C)n(C)n3)c2)C[C@@H](C)N1 |r,wU:46.51,1.0,31.36,28.29,(20.28,-61.8,;20.29,-60.27,;18.98,-59.49,;18.99,-57.96,;17.63,-57.24,;16.31,-58.02,;16.32,-59.57,;14.99,-60.35,;13.65,-59.59,;13.65,-58.04,;14.97,-57.26,;14.96,-55.73,;12.31,-57.28,;10.97,-58.06,;9.64,-57.29,;9.64,-55.75,;10.97,-54.98,;10.97,-53.44,;9.63,-52.67,;8.29,-53.44,;6.95,-52.67,;6.95,-51.12,;5.62,-50.35,;8.29,-50.35,;9.63,-51.11,;10.96,-50.34,;10.95,-48.8,;12.3,-51.1,;13.63,-50.33,;14.97,-51.1,;16.3,-50.34,;16.3,-48.79,;14.96,-48.02,;13.62,-48.8,;17.64,-48.02,;18.98,-48.79,;18.98,-50.34,;20.2,-47.84,;20.15,-46.32,;21.6,-45.8,;22.03,-44.32,;22.54,-47.02,;24.08,-46.97,;21.68,-48.29,;12.3,-55.74,;20.31,-57.19,;21.64,-57.97,;22.98,-57.21,;21.63,-59.51,)|
Show InChI InChI=1S/C37H44FN7O4/c1-22-19-45(20-23(2)40-22)21-26-8-6-10-31(34(26)46)25-7-5-9-30(16-25)49-37-32(17-27(38)18-39-37)35(47)41-28-11-13-29(14-12-28)42-36(48)33-15-24(3)44(4)43-33/h5-10,15-18,22-23,28-29,40,46H,11-14,19-21H2,1-4H3,(H,41,47)(H,42,48)/t22-,23+,28-,29+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0794n/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