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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 = 'BDBM50017306'   
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))
BDBM50017306
PNG
(CHEMBL3287993)
Show SMILES CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)n2)c1 |r,wU:30.35,27.28,(21.27,-30.02,;19.93,-29.26,;19.92,-27.72,;18.6,-30.03,;18.61,-31.58,;19.95,-32.34,;19.97,-33.89,;21.31,-34.65,;18.63,-34.66,;17.3,-33.9,;17.29,-32.36,;15.96,-31.59,;14.62,-32.38,;13.28,-31.6,;13.28,-30.06,;14.61,-29.3,;14.61,-27.76,;13.28,-26.98,;11.94,-27.76,;10.6,-26.98,;10.6,-25.44,;9.26,-24.67,;11.94,-24.67,;13.27,-25.43,;14.6,-24.66,;14.6,-23.12,;15.94,-25.42,;17.27,-24.65,;18.61,-25.42,;19.94,-24.65,;19.94,-23.11,;18.61,-22.34,;17.27,-23.11,;21.29,-22.34,;22.62,-23.11,;22.62,-24.65,;23.95,-22.34,;23.95,-20.81,;25.27,-20.05,;26.61,-20.81,;26.6,-22.35,;27.93,-23.12,;25.27,-23.12,;15.95,-30.06,)|
Show InChI InChI=1S/C34H36FN5O4/c1-21-6-4-9-31(37-21)33(43)39-26-12-10-25(11-13-26)38-32(42)30-18-24(35)19-36-34(30)44-28-8-5-7-22(17-28)29-15-14-27(41)16-23(29)20-40(2)3/h4-9,14-19,25-26,41H,10-13,20H2,1-3H3,(H,38,42)(H,39,43)/t25-,26+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0316n/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