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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 = 'BDBM50393517'   
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))
BDBM50393517
PNG
(CHEMBL2158063)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(Cc2ccccc2)C(=O)C1 |r|
Show InChI InChI=1S/C23H27NO3/c1-26-21-12-11-18(13-22(21)27-20-9-5-6-10-20)19-14-23(25)24(16-19)15-17-7-3-2-4-8-17/h2-4,7-8,11-13,19-20H,5-6,9-10,14-16H2,1H3/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30E+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
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50393517
PNG
(CHEMBL2158063)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(Cc2ccccc2)C(=O)C1 |r|
Show InChI InChI=1S/C23H27NO3/c1-26-21-12-11-18(13-22(21)27-20-9-5-6-10-20)19-14-23(25)24(16-19)15-17-7-3-2-4-8-17/h2-4,7-8,11-13,19-20H,5-6,9-10,14-16H2,1H3/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.10E+3n/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
More data for this
Ligand-Target Pair