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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 4D' and Ligand = 'BDBM50491754'   
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 4D


(Homo sapiens (Human))
BDBM50491754
PNG
(CHEMBL2385756)
Show SMILES CCCCNC(=O)Cc1ccc(Nc2nc(nc3CCCS(=O)(=O)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C25H28N4O3S/c1-2-3-15-26-22(30)17-18-11-13-20(14-12-18)27-25-23-21(10-7-16-33(23,31)32)28-24(29-25)19-8-5-4-6-9-19/h4-6,8-9,11-14H,2-3,7,10,15-17H2,1H3,(H,26,30)(H,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibition of full-length human PDE4D2 assessed as cAMP hydrolysis preincubated for 20 mins followed by cAMP addition measured after 30 mins


Bioorg Med Chem Lett 24: 893-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.076
BindingDB Entry DOI: 10.7270/Q2GX4FHW
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50491754
PNG
(CHEMBL2385756)
Show SMILES CCCCNC(=O)Cc1ccc(Nc2nc(nc3CCCS(=O)(=O)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C25H28N4O3S/c1-2-3-15-26-22(30)17-18-11-13-20(14-12-18)27-25-23-21(10-7-16-33(23,31)32)28-24(29-25)19-8-5-4-6-9-19/h4-6,8-9,11-14H,2-3,7,10,15-17H2,1H3,(H,26,30)(H,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4D (78 to 508)


Bioorg Med Chem Lett 24: 893-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.076
BindingDB Entry DOI: 10.7270/Q2GX4FHW
More data for this
Ligand-Target Pair