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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 4A' and Ligand = 'BDBM50128685'   
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 4A


(Homo sapiens (Human))
BDBM50128685
PNG
(2-{5-[1-(3-Cyclobutoxy-4-difluoromethoxy-phenyl)-2...)
Show SMILES CC(C)(O)c1ncc(s1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CCC2)c1
Show InChI InChI=1S/C24H26F2N2O4S/c1-24(2,29)22-27-14-21(33-22)18(12-15-8-10-28(30)11-9-15)16-6-7-19(32-23(25)26)20(13-16)31-17-4-3-5-17/h6-11,13-14,17-18,23,29H,3-5,12H2,1-2H3
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MMDB

KEGG

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PC cid
PC sid
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Patents

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was determined against human Phosphodiesterase 4 isoform using a construct representing the common region of spliced var...


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
More data for this
Ligand-Target Pair