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Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'abouzid' and Initial = 'km'   
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 3 (PDE3)


(Homo sapiens (human))
BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
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KEGG
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PC cid
PC sid
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Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A assessed as cGMP hydrolysis after 60 mins by fluorescence polarization assay using tetramethylrhodamine-tagged ...


Bioorg Med Chem 17: 5974-82 (2009)


Article DOI: 10.1016/j.bmc.2009.06.063
BindingDB Entry DOI: 10.7270/Q2125SRW
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
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CHEMBL
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KEGG
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PC cid
PC sid
PDB
UniChem

Patents


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Article
PubMed
n/an/a 1.14E+4n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A assessed as cAMP hydrolysis after 60 mins by fluorescence polarization assay using fluorescein-tagged cAMP as s...


Bioorg Med Chem 17: 5974-82 (2009)


Article DOI: 10.1016/j.bmc.2009.06.063
BindingDB Entry DOI: 10.7270/Q2125SRW
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50300897
PNG
(6-(4-Bromophenyl)-4-(2-ethoxyphenyl)-2-imino-1,2-d...)
Show SMILES CCOc1ccccc1-c1cc(nc(N)c1C#N)-c1ccc(Br)cc1
Show InChI InChI=1S/C20H16BrN3O/c1-2-25-19-6-4-3-5-15(19)16-11-18(24-20(23)17(16)12-22)13-7-9-14(21)10-8-13/h3-11H,2H2,1H3,(H2,23,24)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A assessed as cGMP hydrolysis after 60 mins by fluorescence polarization assay using tetramethylrhodamine-tagged ...


Bioorg Med Chem 17: 5974-82 (2009)


Article DOI: 10.1016/j.bmc.2009.06.063
BindingDB Entry DOI: 10.7270/Q2125SRW
More data for this
Ligand-Target Pair