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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 = 'BDBM50017324'   
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))
BDBM50017324
PNG
(CHEMBL3288012)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-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:1.0,45.50,30.35,27.28,(21.25,-53.01,;19.92,-52.24,;18.6,-53.01,;17.27,-52.24,;15.95,-53.02,;14.62,-52.26,;13.28,-53.03,;11.95,-52.27,;11.94,-50.73,;13.26,-49.95,;14.6,-50.71,;10.61,-49.96,;9.27,-50.75,;7.93,-49.97,;7.93,-48.43,;9.26,-47.67,;9.26,-46.12,;7.93,-45.35,;6.59,-46.13,;5.25,-45.35,;5.25,-43.81,;3.91,-43.04,;6.58,-43.04,;7.92,-43.8,;9.25,-43.03,;9.25,-41.48,;10.59,-43.79,;11.92,-43.02,;13.26,-43.79,;14.59,-43.02,;14.59,-41.48,;13.26,-40.71,;11.92,-41.48,;15.94,-40.7,;17.27,-41.48,;17.27,-43.02,;18.49,-40.53,;18.44,-39.01,;19.89,-38.48,;20.32,-37.01,;20.83,-39.7,;22.36,-39.65,;19.97,-40.98,;10.6,-48.42,;17.26,-50.71,;18.59,-49.94,;18.59,-48.41,;19.92,-50.71,)|
Show InChI InChI=1S/C37H44FN7O3/c1-23-20-45(21-24(2)40-23)22-26-8-10-27(11-9-26)28-6-5-7-32(17-28)48-37-33(18-29(38)19-39-37)35(46)41-30-12-14-31(15-13-30)42-36(47)34-16-25(3)44(4)43-34/h5-11,16-19,23-24,30-31,40H,12-15,20-22H2,1-4H3,(H,41,46)(H,42,47)/t23-,24+,30-,31+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0251n/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