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PubMed code 19836860

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM26673
PNG
(6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dih...)
Show SMILES Oc1ccc(Br)cc1-c1cc(-c2ccccc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)
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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Eur J Med Chem 45: 90-7 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.029
BindingDB Entry DOI: 10.7270/Q20K28N2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50299695
PNG
(4-(4-Ethoxyphenyl)-2-imino-6-(thiophen-3-yl)-1,2-d...)
Show SMILES CCOc1ccc(cc1)-c1cc(nc(N)c1C#N)-c1ccsc1
Show InChI InChI=1S/C18H15N3OS/c1-2-22-14-5-3-12(4-6-14)15-9-17(13-7-8-23-11-13)21-18(20)16(15)10-19/h3-9,11H,2H2,1H3,(H2,20,21)
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n/an/a 1.33E+4n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A by fluorescence polarization assay using cAMP as substrate


Eur J Med Chem 45: 90-7 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.029
BindingDB Entry DOI: 10.7270/Q20K28N2
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50299695
PNG
(4-(4-Ethoxyphenyl)-2-imino-6-(thiophen-3-yl)-1,2-d...)
Show SMILES CCOc1ccc(cc1)-c1cc(nc(N)c1C#N)-c1ccsc1
Show InChI InChI=1S/C18H15N3OS/c1-2-22-14-5-3-12(4-6-14)15-9-17(13-7-8-23-11-13)21-18(20)16(15)10-19/h3-9,11H,2H2,1H3,(H2,20,21)
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n/an/a 1.35E+4n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A by fluorescence polarization assay using cGMP as substrate


Eur J Med Chem 45: 90-7 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.029
BindingDB Entry DOI: 10.7270/Q20K28N2
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 5


(Homo sapiens)
BDBM26673
PNG
(6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dih...)
Show SMILES Oc1ccc(Br)cc1-c1cc(-c2ccccc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)
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n/an/an/a 5.70E+3n/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of survivin


Eur J Med Chem 45: 90-7 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.029
BindingDB Entry DOI: 10.7270/Q20K28N2
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 5


(Homo sapiens)
BDBM50209209
PNG
(6-(5-bromo-2-hydroxyphenyl)-4-(2,5-dichlorophenyl)...)
Show SMILES Oc1ccc(Br)cc1-c1cc(-c2cc(Cl)ccc2Cl)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C18H9BrCl2N2O2/c19-9-1-4-17(24)13(5-9)16-7-11(14(8-22)18(25)23-16)12-6-10(20)2-3-15(12)21/h1-7,24H,(H,23,25)
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PubMed
n/an/an/a 800n/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of survivin


Eur J Med Chem 45: 90-7 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.029
BindingDB Entry DOI: 10.7270/Q20K28N2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%