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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4B' and Ligand = 'BDBM50017319'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50017319
PNG
(CHEMBL3288005)
Show SMILES Cc1cc(C)n2ncc(C(=O)N[C@H]3CC[C@H](CC3)NC(=O)c3cc(F)cnc3Oc3cccc(c3)-c3ccc(O)cc3CN3CCOCC3)c2n1 |r,wU:12.11,15.18,(20.6,-25.45,;20.12,-23.99,;21.15,-22.84,;20.67,-21.39,;21.7,-20.25,;19.18,-21.08,;18.41,-19.75,;16.91,-20.07,;16.75,-21.58,;15.42,-22.35,;15.42,-23.89,;14.08,-21.57,;12.74,-22.35,;12.74,-23.89,;11.41,-24.66,;10.07,-23.88,;10.06,-22.35,;11.4,-21.57,;8.73,-24.66,;7.4,-23.89,;7.39,-22.35,;6.06,-24.67,;4.73,-23.91,;3.39,-24.67,;2.05,-23.91,;3.39,-26.22,;4.73,-27,;6.07,-26.22,;7.4,-26.99,;7.41,-28.54,;6.07,-29.3,;6.07,-30.84,;7.41,-31.62,;8.75,-30.83,;8.74,-29.29,;10.08,-31.6,;10.09,-33.14,;11.43,-33.9,;12.76,-33.13,;14.1,-33.89,;12.75,-31.58,;11.41,-30.82,;11.4,-29.27,;12.73,-28.49,;14.06,-29.26,;15.39,-28.49,;15.39,-26.95,;14.05,-26.19,;12.71,-26.96,;18.15,-22.22,;18.62,-23.67,)|
Show InChI InChI=1S/C38H40FN7O5/c1-23-16-24(2)46-35(42-23)34(21-41-46)37(49)44-29-8-6-28(7-9-29)43-36(48)33-19-27(39)20-40-38(33)51-31-5-3-4-25(18-31)32-11-10-30(47)17-26(32)22-45-12-14-50-15-13-45/h3-5,10-11,16-21,28-29,47H,6-9,12-15,22H2,1-2H3,(H,43,48)(H,44,49)/t28-,29+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0501n/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