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BDBM50017300 CHEMBL3287987

SMILES: Cc1cc(nn1C)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCCOCC1

InChI Key: InChIKey=KZOXYCHDEODHMX-HNRBIFIRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017300   
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))
BDBM50017300
PNG
(CHEMBL3287987)
Show SMILES Cc1cc(nn1C)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCCOCC1 |r,wU:13.17,10.10,(38.69,-2.82,;38.26,-4.29,;36.82,-4.82,;36.87,-6.34,;38.34,-6.79,;39.21,-5.51,;40.75,-5.46,;35.65,-7.29,;35.65,-8.83,;34.31,-6.52,;32.98,-7.29,;32.98,-8.83,;31.65,-9.6,;30.31,-8.82,;30.31,-7.29,;31.64,-6.52,;28.98,-9.6,;27.64,-8.83,;27.64,-7.29,;26.31,-9.61,;24.98,-8.84,;23.65,-9.61,;22.31,-8.84,;23.65,-11.16,;24.98,-11.93,;26.32,-11.16,;27.65,-11.92,;27.65,-13.46,;26.32,-14.23,;26.32,-15.77,;27.66,-16.54,;28.99,-15.76,;28.99,-14.22,;30.33,-16.52,;30.33,-18.06,;31.67,-18.82,;33,-18.05,;34.34,-18.81,;32.99,-16.5,;31.65,-15.74,;31.64,-14.2,;32.97,-13.42,;32.84,-11.9,;33.96,-10.84,;35.48,-11.04,;36.26,-12.37,;35.72,-13.81,;34.25,-14.28,)|
Show InChI InChI=1S/C36H41FN6O5/c1-23-17-33(41-42(23)2)35(46)40-28-9-7-27(8-10-28)39-34(45)32-20-26(37)21-38-36(32)48-30-6-3-5-24(19-30)31-12-11-29(44)18-25(31)22-43-13-4-15-47-16-14-43/h3,5-6,11-12,17-21,27-28,44H,4,7-10,13-16,22H2,1-2H3,(H,39,45)(H,40,46)/t27-,28+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0100n/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