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BDBM50017313 CHEMBL3287999

SMILES: Oc1ccc(c(CN2CCCOCC2)c1)-c1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c2cn3cc(F)ccc3n2)c1

InChI Key: InChIKey=ZNOLBJWRZRPJPY-ISILISOKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017313   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50017313
PNG
(CHEMBL3287999)
Show SMILES Oc1ccc(c(CN2CCCOCC2)c1)-c1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c2cn3cc(F)ccc3n2)c1 |r,wU:34.40,31.33,(13.4,-36.59,;12.06,-35.83,;10.73,-36.61,;9.39,-35.85,;9.39,-34.3,;10.71,-33.52,;10.7,-31.98,;12.02,-31.2,;11.9,-29.67,;13.02,-28.62,;14.54,-28.83,;15.32,-30.15,;14.77,-31.59,;13.3,-32.06,;12.05,-34.28,;8.05,-33.54,;6.71,-34.32,;5.38,-33.55,;5.38,-32.01,;6.71,-31.24,;6.71,-29.7,;5.37,-28.93,;4.04,-29.71,;2.69,-28.93,;2.7,-27.38,;1.36,-26.62,;4.03,-26.62,;5.37,-27.38,;6.7,-26.61,;6.69,-25.06,;8.04,-27.37,;9.37,-26.6,;10.71,-27.37,;12.03,-26.6,;12.04,-25.06,;10.7,-24.29,;9.36,-25.06,;13.38,-24.29,;14.71,-25.06,;14.71,-26.6,;15.93,-24.11,;15.88,-22.59,;17.33,-22.07,;17.91,-20.65,;19.42,-20.44,;20,-19.02,;20.37,-21.66,;19.79,-23.08,;18.27,-23.28,;17.41,-24.56,;8.04,-32,)|
Show InChI InChI=1S/C38H38F2N6O5/c39-26-5-12-35-44-34(23-46(35)22-26)37(49)43-29-8-6-28(7-9-29)42-36(48)33-19-27(40)20-41-38(33)51-31-4-1-3-24(18-31)32-11-10-30(47)17-25(32)21-45-13-2-15-50-16-14-45/h1,3-5,10-12,17-20,22-23,28-29,47H,2,6-9,13-16,21H2,(H,42,48)(H,43,49)/t28-,29+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0200n/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