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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 = 'BDBM50174017'   
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))
BDBM50174017
PNG
(8-(3-(2-(3-methylcyclopenta-1,3-dienyl)-2-(4-(meth...)
Show SMILES COc1cccc(c1)-c1cc(Cc2ccncc2)cc2cccnc12
Show InChI InChI=1S/C22H18N2O/c1-25-20-6-2-4-18(15-20)21-14-17(12-16-7-10-23-11-8-16)13-19-5-3-9-24-22(19)21/h2-11,13-15H,12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50174017
PNG
(8-(3-(2-(3-methylcyclopenta-1,3-dienyl)-2-(4-(meth...)
Show SMILES COc1cccc(c1)-c1cc(Cc2ccncc2)cc2cccnc12
Show InChI InChI=1S/C22H18N2O/c1-25-20-6-2-4-18(15-20)21-14-17(12-16-7-10-23-11-8-16)13-19-5-3-9-24-22(19)21/h2-11,13-15H,12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair