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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 7' and Ligand = 'BDBM50032540'   
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
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50032540
PNG
(CHEMBL3354179)
Show SMILES CCn1c(NC2CCCC2)nc2c(csc2c1=O)-c1cccnc1
Show InChI InChI=1S/C18H20N4OS/c1-2-22-17(23)16-15(21-18(22)20-13-7-3-4-8-13)14(11-24-16)12-6-5-9-19-10-12/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,20,21)
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PC cid
PC sid
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)


Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50032540
PNG
(CHEMBL3354179)
Show SMILES CCn1c(NC2CCCC2)nc2c(csc2c1=O)-c1cccnc1
Show InChI InChI=1S/C18H20N4OS/c1-2-22-17(23)16-15(21-18(22)20-13-7-3-4-8-13)14(11-24-16)12-6-5-9-19-10-12/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in insect cells assessed as inhibition of [3H]cAMP to [3H]AMP hydrolysis after 30 mins by scintillation counting


J Med Chem 57: 9844-54 (2014)


Article DOI: 10.1021/jm5008215
BindingDB Entry DOI: 10.7270/Q228096D
More data for this
Ligand-Target Pair