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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 = 'BDBM50393511'   
Target
(Institution)
LigandTarget
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))
BDBM50393511
PNG
(CHEMBL2158056)
Show SMILES CC(C)=CCn1nc(-c2cccc(c2)[N+]([O-])=O)c2ncccc2c1=O
Show InChI InChI=1S/C18H16N4O3/c1-12(2)8-10-21-18(23)15-7-4-9-19-17(15)16(20-21)13-5-3-6-14(11-13)22(24)25/h3-9,11H,10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 11n/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)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393511
PNG
(CHEMBL2158056)
Show SMILES CC(C)=CCn1nc(-c2cccc(c2)[N+]([O-])=O)c2ncccc2c1=O
Show InChI InChI=1S/C18H16N4O3/c1-12(2)8-10-21-18(23)15-7-4-9-19-17(15)16(20-21)13-5-3-6-14(11-13)22(24)25/h3-9,11H,10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 15n/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)

More data for this
Ligand-Target Pair