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BDBM50017327 CHEMBL3288016

SMILES: C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3nc(C)cs3)c2)C[C@@H](C)N1

InChI Key: InChIKey=SEJPEMTVJDFOTD-JFAUGGILSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017327   
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))
BDBM50017327
PNG
(CHEMBL3288016)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3nc(C)cs3)c2)C[C@@H](C)N1 |r,wU:30.35,27.28,1.0,44.49,(10.36,-38.26,;11.69,-37.49,;11.68,-35.96,;13.01,-35.19,;13,-33.66,;11.67,-32.9,;10.33,-33.67,;9,-32.91,;8.99,-31.37,;10.32,-30.59,;11.65,-31.35,;7.66,-30.6,;6.32,-31.39,;4.98,-30.62,;4.98,-29.08,;6.32,-28.31,;6.32,-26.77,;4.98,-26,;3.64,-26.77,;2.3,-26,;2.3,-24.45,;.97,-23.68,;3.64,-23.68,;4.98,-24.44,;6.31,-23.67,;6.3,-22.13,;7.64,-24.43,;8.97,-23.66,;10.32,-24.43,;11.64,-23.67,;11.64,-22.13,;10.31,-21.35,;8.97,-22.13,;12.99,-21.35,;14.32,-22.13,;14.32,-23.67,;15.54,-21.18,;17.02,-21.62,;17.88,-20.35,;19.42,-20.3,;16.94,-19.13,;15.49,-19.65,;7.65,-29.07,;14.34,-35.94,;14.35,-37.48,;15.68,-38.25,;13.02,-38.25,)|
Show InChI InChI=1S/C36H41FN6O3S/c1-22-18-43(19-23(2)39-22)20-25-7-9-26(10-8-25)27-5-4-6-31(15-27)46-35-32(16-28(37)17-38-35)33(44)41-29-11-13-30(14-12-29)42-34(45)36-40-24(3)21-47-36/h4-10,15-17,21-23,29-30,39H,11-14,18-20H2,1-3H3,(H,41,44)(H,42,45)/t22-,23+,29-,30+
PDB

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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