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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 = 'BDBM50017328'   
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))
BDBM50017328
PNG
(CHEMBL3288017)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3csc(CO)n3)c2)C[C@@H](C)N1 |r,wU:30.35,27.28,1.0,45.50,(31.33,-40.56,;32.66,-39.79,;32.65,-38.27,;33.98,-37.5,;33.97,-35.96,;32.63,-35.2,;31.3,-35.98,;29.97,-35.22,;29.96,-33.67,;31.28,-32.89,;32.62,-33.65,;28.62,-32.91,;27.29,-33.7,;25.95,-32.92,;25.95,-31.38,;27.28,-30.61,;27.28,-29.07,;25.95,-28.3,;24.61,-29.08,;23.27,-28.3,;23.27,-26.75,;21.93,-25.99,;24.61,-25.99,;25.94,-26.75,;27.27,-25.98,;27.27,-24.43,;28.61,-26.74,;29.94,-25.97,;31.28,-26.74,;32.61,-25.97,;32.61,-24.43,;31.28,-23.65,;29.94,-24.43,;33.95,-23.65,;35.29,-24.43,;35.29,-25.97,;36.51,-23.48,;36.46,-21.96,;37.91,-21.43,;38.85,-22.65,;40.39,-22.6,;41.2,-23.91,;37.99,-23.93,;28.62,-31.37,;35.31,-38.25,;35.32,-39.79,;36.65,-40.55,;33.99,-40.56,)|
Show InChI InChI=1S/C36H41FN6O4S/c1-22-17-43(18-23(2)39-22)19-24-6-8-25(9-7-24)26-4-3-5-30(14-26)47-36-31(15-27(37)16-38-36)34(45)40-28-10-12-29(13-11-28)41-35(46)32-21-48-33(20-44)42-32/h3-9,14-16,21-23,28-29,39,44H,10-13,17-20H2,1-2H3,(H,40,45)(H,41,46)/t22-,23+,28-,29+
PDB

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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