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BDBM50017335 CHEMBL3288024

SMILES: C[C@H]1CN(Cc2cc(ccc2O)-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=GMTGEEMBGWOFAJ-JFAUGGILSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017335   
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))
BDBM50017335
PNG
(CHEMBL3288024)
Show SMILES C[C@H]1CN(Cc2cc(ccc2O)-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,(17.3,-40.69,;17.31,-39.15,;16,-38.38,;16.01,-36.85,;14.65,-36.13,;13.33,-36.91,;11.99,-36.15,;10.67,-36.93,;10.67,-38.47,;12.01,-39.23,;13.34,-38.46,;14.68,-39.22,;9.33,-36.17,;8,-36.95,;6.66,-36.18,;6.66,-34.64,;7.99,-33.87,;7.99,-32.33,;6.65,-31.56,;5.32,-32.33,;3.97,-31.56,;3.98,-30.01,;2.64,-29.24,;5.31,-29.24,;6.65,-30,;7.98,-29.23,;7.97,-27.69,;9.32,-29.99,;10.65,-29.22,;11.99,-29.99,;13.32,-29.23,;13.32,-27.68,;11.98,-26.91,;10.65,-27.69,;14.66,-26.91,;16,-27.68,;16,-29.23,;17.22,-26.73,;17.17,-25.21,;18.62,-24.69,;19.05,-23.21,;19.56,-25.91,;21.1,-25.86,;18.7,-27.18,;9.32,-34.63,;17.33,-36.08,;18.66,-36.86,;20,-36.1,;18.65,-38.4,)|
Show InChI InChI=1S/C37H44FN7O4/c1-22-19-45(20-23(2)40-22)21-27-15-26(8-13-34(27)46)25-6-5-7-31(16-25)49-37-32(17-28(38)18-39-37)35(47)41-29-9-11-30(12-10-29)42-36(48)33-14-24(3)44(4)43-33/h5-8,13-18,22-23,29-30,40,46H,9-12,19-21H2,1-4H3,(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 0.0200n/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