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BDBM50017316 CHEMBL3288002

SMILES: Oc1ccc(c(CN2CCOCC2)c1)-c1cccc(Oc2ncc(F)cc2C(=O)N[C@H]2CC[C@H](CC2)NC(=O)c2nc3ccccc3[nH]c2=O)c1

InChI Key: InChIKey=LPUHBMMPHHFHAH-MKPDMIMOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017316   
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))
BDBM50017316
PNG
(CHEMBL3288002)
Show SMILES Oc1ccc(c(CN2CCOCC2)c1)-c1cccc(Oc2ncc(F)cc2C(=O)N[C@H]2CC[C@H](CC2)NC(=O)c2nc3ccccc3[nH]c2=O)c1 |r,wU:33.39,30.32,(14.51,-17.07,;13.17,-16.31,;11.84,-17.09,;10.5,-16.33,;10.5,-14.78,;11.82,-14,;11.81,-12.46,;13.14,-11.69,;14.47,-12.45,;15.79,-11.68,;15.79,-10.14,;14.46,-9.38,;13.12,-10.15,;13.16,-14.76,;9.16,-14.02,;7.83,-14.81,;6.49,-14.03,;6.49,-12.49,;7.82,-11.73,;7.82,-10.19,;6.49,-9.41,;5.15,-10.19,;3.81,-9.41,;3.81,-7.87,;2.48,-7.1,;5.15,-7.1,;6.48,-7.86,;7.81,-7.09,;7.81,-5.55,;9.15,-7.85,;10.48,-7.08,;10.48,-5.55,;11.81,-4.77,;13.15,-5.54,;13.15,-7.09,;11.82,-7.85,;14.49,-4.77,;15.82,-5.54,;15.82,-7.09,;17.15,-4.78,;18.48,-5.55,;19.8,-4.79,;21.13,-5.57,;22.47,-4.8,;22.47,-3.25,;21.14,-2.48,;19.81,-3.25,;18.47,-2.48,;17.15,-3.25,;15.82,-2.49,;9.16,-12.48,)|
Show InChI InChI=1S/C38H37FN6O6/c39-25-20-31(35(47)41-26-8-10-27(11-9-26)42-36(48)34-37(49)44-33-7-2-1-6-32(33)43-34)38(40-21-25)51-29-5-3-4-23(19-29)30-13-12-28(46)18-24(30)22-45-14-16-50-17-15-45/h1-7,12-13,18-21,26-27,46H,8-11,14-17,22H2,(H,41,47)(H,42,48)(H,44,49)/t26-,27+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.316n/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