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BDBM50017333 CHEMBL3288022

SMILES: C[C@H]1CN(Cc2ccc(cc2O)-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=YMDDNHVKLZLDFS-JFAUGGILSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017333   
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))
BDBM50017333
PNG
(CHEMBL3288022)
Show SMILES C[C@H]1CN(Cc2ccc(cc2O)-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:31.36,28.29,46.51,1.0,(19.64,-20.1,;18.31,-19.33,;16.99,-20.1,;15.66,-19.33,;14.33,-20.11,;13,-19.35,;11.67,-20.12,;10.33,-19.36,;10.33,-17.82,;11.65,-17.04,;12.99,-17.8,;14.31,-17.02,;8.99,-17.05,;7.65,-17.84,;6.32,-17.06,;6.32,-15.52,;7.65,-14.76,;7.65,-13.22,;6.31,-12.44,;4.97,-13.22,;3.63,-12.44,;3.63,-10.9,;2.3,-10.13,;4.97,-10.13,;6.31,-10.89,;7.64,-10.12,;7.63,-8.58,;8.98,-10.88,;10.31,-10.11,;11.65,-10.88,;12.98,-10.11,;12.98,-8.57,;11.64,-7.8,;10.3,-8.57,;14.32,-7.8,;15.66,-8.57,;15.66,-10.11,;16.87,-7.62,;16.82,-6.1,;18.27,-5.58,;18.7,-4.1,;19.22,-6.79,;20.76,-6.74,;18.35,-8.07,;8.98,-15.52,;15.64,-17.8,;16.97,-17.03,;16.97,-15.5,;18.31,-17.8,)|
Show InChI InChI=1S/C37H44FN7O4/c1-22-19-45(20-23(2)40-22)21-27-9-8-26(16-34(27)46)25-6-5-7-31(15-25)49-37-32(17-28(38)18-39-37)35(47)41-29-10-12-30(13-11-29)42-36(48)33-14-24(3)44(4)43-33/h5-9,14-18,22-23,29-30,40,46H,10-13,19-21H2,1-4H3,(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