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BDBM50017334 CHEMBL3288023

SMILES: C[C@H]1CN(Cc2cccc(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=INVRHWDUKKEWBU-SWBIORQWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017334   
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))
BDBM50017334
PNG
(CHEMBL3288023)
Show SMILES C[C@H]1CN(Cc2cccc(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:45.50,1.0,30.35,27.28,(39.54,-20.15,;39.6,-18.61,;38.31,-17.8,;38.37,-16.27,;37.04,-15.51,;35.71,-16.29,;35.73,-17.84,;34.39,-18.61,;33.06,-17.85,;33.05,-16.3,;34.38,-15.52,;31.72,-15.54,;30.38,-16.33,;29.04,-15.55,;29.04,-14.01,;30.38,-13.25,;30.37,-11.7,;29.04,-10.93,;27.7,-11.71,;26.36,-10.93,;26.36,-9.39,;25.02,-8.62,;27.7,-8.62,;29.03,-9.38,;30.36,-8.61,;30.36,-7.06,;31.7,-9.37,;33.03,-8.6,;34.37,-9.37,;35.7,-8.6,;35.7,-7.06,;34.37,-6.29,;33.03,-7.06,;37.05,-6.28,;38.38,-7.06,;38.38,-8.6,;39.6,-6.11,;39.55,-4.59,;41,-4.06,;41.43,-2.59,;41.94,-5.28,;43.49,-5.23,;41.08,-6.56,;31.71,-14,;39.72,-15.54,;41.02,-16.37,;42.38,-15.65,;40.96,-17.9,)|
Show InChI InChI=1S/C37H44FN7O3/c1-23-20-45(21-24(2)40-23)22-26-7-5-8-27(16-26)28-9-6-10-32(17-28)48-37-33(18-29(38)19-39-37)35(46)41-30-11-13-31(14-12-30)42-36(47)34-15-25(3)44(4)43-34/h5-10,15-19,23-24,30-31,40H,11-14,20-22H2,1-4H3,(H,41,46)(H,42,47)/t23-,24+,30-,31+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0631n/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