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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 = 'BDBM50040348'   
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))
BDBM50040348
PNG
(8-Amino-1,3-bis-cyclopropylmethyl-3,7-dihydro-puri...)
Show SMILES Nc1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1
Show InChI InChI=1S/C13H17N5O2/c14-12-15-9-10(16-12)17(5-7-1-2-7)13(20)18(11(9)19)6-8-3-4-8/h7-8H,1-6H2,(H3,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.60E+3n/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))
BDBM50040348
PNG
(8-Amino-1,3-bis-cyclopropylmethyl-3,7-dihydro-puri...)
Show SMILES Nc1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1
Show InChI InChI=1S/C13H17N5O2/c14-12-15-9-10(16-12)17(5-7-1-2-7)13(20)18(11(9)19)6-8-3-4-8/h7-8H,1-6H2,(H3,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 910n/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