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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 = 'BDBM50017326'   
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))
BDBM50017326
PNG
(CHEMBL3288015)
Show SMILES Cc1nc(cs1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(CN2CCCOCC2)cc1 |r,wU:9.9,12.16,(49.63,.92,;48.09,.87,;47.23,-.41,;45.75,.04,;45.7,1.57,;47.15,2.09,;44.53,-.91,;44.53,-2.46,;43.2,-.14,;41.85,-.91,;41.85,-2.46,;40.52,-3.22,;39.18,-2.45,;39.18,-.92,;40.52,-.14,;37.85,-3.22,;36.51,-2.46,;36.51,-.92,;35.18,-3.23,;33.84,-2.47,;32.51,-3.24,;31.17,-2.47,;32.5,-4.79,;33.85,-5.56,;35.19,-4.79,;36.52,-5.56,;36.52,-7.1,;35.19,-7.87,;35.19,-9.41,;36.53,-10.18,;37.86,-9.4,;37.86,-7.86,;39.2,-10.16,;39.2,-11.7,;40.54,-12.46,;41.87,-11.69,;43.21,-12.45,;43.22,-13.99,;44.59,-14.64,;44.95,-16.14,;44.01,-17.35,;42.47,-17.35,;41.5,-16.16,;41.83,-14.66,;41.86,-10.14,;40.52,-9.38,)|
Show InChI InChI=1S/C35H38FN5O4S/c1-23-38-32(22-46-23)34(43)40-29-12-10-28(11-13-29)39-33(42)31-19-27(36)20-37-35(31)45-30-5-2-4-26(18-30)25-8-6-24(7-9-25)21-41-14-3-16-44-17-15-41/h2,4-9,18-20,22,28-29H,3,10-17,21H2,1H3,(H,39,42)(H,40,43)/t28-,29+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/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