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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4A' and Ligand = 'BDBM50393509'   
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))
BDBM50393509
PNG
(PYRIDOPYRIDAZINONE)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nn(Cc2ccncc2)c(=O)c2cccnc12
Show InChI InChI=1S/C19H13N5O3/c25-19-16-5-2-8-21-18(16)17(14-3-1-4-15(11-14)24(26)27)22-23(19)12-13-6-9-20-10-7-13/h1-11H,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 340n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50393509
PNG
(PYRIDOPYRIDAZINONE)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nn(Cc2ccncc2)c(=O)c2cccnc12
Show InChI InChI=1S/C19H13N5O3/c25-19-16-5-2-8-21-18(16)17(14-3-1-4-15(11-14)24(26)27)22-23(19)12-13-6-9-20-10-7-13/h1-11H,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 220n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair