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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 = 'BDBM50017330'   
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))
BDBM50017330
PNG
(CHEMBL3288019)
Show SMILES Cc1cccc2nc(cn12)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(CN2CCCOCC2)cc1 |r,wU:13.14,16.21,(42.74,-.17,;43.68,-1.37,;45.21,-1.16,;46.16,-2.39,;45.58,-3.82,;44.05,-4.02,;43.18,-5.29,;41.7,-4.84,;41.65,-3.32,;43.1,-2.79,;40.48,-5.79,;40.48,-7.33,;39.15,-5.01,;37.81,-5.79,;37.81,-7.33,;36.48,-8.1,;35.14,-7.32,;35.13,-5.79,;36.47,-5.01,;33.81,-8.1,;32.47,-7.33,;32.46,-5.79,;31.14,-8.11,;29.8,-7.35,;28.47,-8.11,;27.13,-7.35,;28.47,-9.66,;29.81,-10.43,;31.14,-9.66,;32.48,-10.43,;32.48,-11.97,;31.15,-12.74,;31.15,-14.28,;32.49,-15.05,;33.82,-14.27,;33.81,-12.73,;35.16,-15.03,;35.16,-16.57,;36.5,-17.33,;37.83,-16.56,;39.16,-17.32,;39.17,-18.85,;40.55,-19.51,;40.9,-21,;39.96,-22.21,;38.43,-22.22,;37.46,-21.03,;37.79,-19.53,;37.82,-15.01,;36.48,-14.25,)|
Show InChI InChI=1S/C39H41FN6O4/c1-26-5-2-8-36-44-35(25-46(26)36)38(48)43-32-15-13-31(14-16-32)42-37(47)34-22-30(40)23-41-39(34)50-33-7-3-6-29(21-33)28-11-9-27(10-12-28)24-45-17-4-19-49-20-18-45/h2-3,5-12,21-23,25,31-32H,4,13-20,24H2,1H3,(H,42,47)(H,43,48)/t31-,32+
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