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BDBM50017336 CHEMBL3288025

SMILES: C[C@H]1CN(Cc2cc(O)cc(c2)-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

InChI Key: InChIKey=IPAJHMLMONLPPL-JFAUGGILSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017336   
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))
BDBM50017336
PNG
(CHEMBL3288025)
Show SMILES C[C@H]1CN(Cc2cc(O)cc(c2)-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:46.51,1.0,31.36,28.29,(42.43,-41.61,;42.45,-40.08,;41.13,-39.3,;41.14,-37.77,;39.79,-37.06,;38.46,-37.83,;38.47,-39.39,;37.14,-40.16,;37.15,-41.69,;35.81,-39.4,;35.8,-37.85,;37.12,-37.07,;34.46,-37.09,;33.13,-37.88,;31.79,-37.1,;31.79,-35.56,;33.12,-34.8,;33.12,-33.25,;31.79,-32.48,;30.45,-33.26,;29.1,-32.48,;29.11,-30.93,;27.77,-30.17,;30.44,-30.17,;31.78,-30.93,;33.11,-30.16,;33.11,-28.61,;34.45,-30.92,;35.78,-30.15,;37.12,-30.92,;38.45,-30.15,;38.45,-28.61,;37.12,-27.83,;35.78,-28.61,;39.8,-27.83,;41.13,-28.61,;41.13,-30.15,;42.35,-27.66,;42.3,-26.13,;43.75,-25.61,;44.18,-24.14,;44.69,-26.83,;46.23,-26.78,;43.83,-28.11,;34.46,-35.55,;42.47,-37,;43.79,-37.79,;45.13,-37.03,;43.78,-39.32,)|
Show InChI InChI=1S/C37H44FN7O4/c1-22-19-45(20-23(2)40-22)21-25-13-27(15-31(46)14-25)26-6-5-7-32(16-26)49-37-33(17-28(38)18-39-37)35(47)41-29-8-10-30(11-9-29)42-36(48)34-12-24(3)44(4)43-34/h5-7,12-18,22-23,29-30,40,46H,8-11,19-21H2,1-4H3,(H,41,47)(H,42,48)/t22-,23+,29-,30+
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