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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 = 'BDBM50017299'   
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))
BDBM50017299
PNG
(CHEMBL3288011)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cn4c(C)cccc4n3)c2)C[C@@H](C)N1 |r,wU:30.35,27.28,48.54,1.0,(14.61,-38.85,;15.94,-38.08,;15.93,-36.55,;17.26,-35.78,;17.25,-34.25,;15.92,-33.49,;14.59,-34.26,;13.25,-33.5,;13.24,-31.96,;14.57,-31.17,;15.91,-31.94,;11.91,-31.19,;10.57,-31.98,;9.23,-31.2,;9.23,-29.66,;10.57,-28.89,;10.56,-27.35,;9.23,-26.58,;7.89,-27.36,;6.54,-26.58,;6.55,-25.03,;5.21,-24.26,;7.88,-24.26,;9.22,-25.02,;10.55,-24.25,;10.55,-22.71,;11.89,-25.01,;13.22,-24.24,;14.57,-25.01,;15.9,-24.25,;15.9,-22.7,;14.56,-21.93,;13.22,-22.71,;17.24,-21.93,;18.58,-22.7,;18.58,-24.25,;19.81,-21.78,;19.79,-20.26,;21.25,-19.76,;21.85,-18.36,;20.93,-17.13,;23.37,-18.17,;24.29,-19.41,;23.68,-20.82,;22.16,-21,;21.28,-22.25,;11.9,-29.65,;18.59,-36.53,;18.6,-38.07,;19.93,-38.84,;17.27,-38.85,)|
Show InChI InChI=1S/C40H44FN7O3/c1-25-21-47(22-26(2)43-25)23-28-10-12-29(13-11-28)30-7-5-8-34(18-30)51-40-35(19-31(41)20-42-40)38(49)44-32-14-16-33(17-15-32)45-39(50)36-24-48-27(3)6-4-9-37(48)46-36/h4-13,18-20,24-26,32-33,43H,14-17,21-23H2,1-3H3,(H,44,49)(H,45,50)/t25-,26+,32-,33+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0631n/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