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PubMed code 19604696

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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 AKT


(Homo sapiens (human))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibition of AKT3 by FRET based assay


Bioorg Med Chem Lett 19: 4634-8 (2009)

Checked by Author
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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PubMed
n/an/a 300n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibition of AKT2 by FRET based assay


Bioorg Med Chem Lett 19: 4634-8 (2009)

Checked by Author
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50296931
PNG
(6-(6-(2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-4-phen...)
Show SMILES O=C1COc2ccc(cc2N1)-c1cc(cc(n1)-c1ccc2oc(=O)[nH]c2c1)-c1ccccc1
Show InChI InChI=1S/C26H17N3O4/c30-25-14-32-23-8-6-16(10-21(23)28-25)19-12-18(15-4-2-1-3-5-15)13-20(27-19)17-7-9-24-22(11-17)29-26(31)33-24/h1-13H,14H2,(H,28,30)(H,29,31)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibition of AKT2 by FRET based assay


Bioorg Med Chem Lett 19: 4634-8 (2009)

Checked by Author
More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibition of AKT1 by FRET based assay


Bioorg Med Chem Lett 19: 4634-8 (2009)

Checked by Author
More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50296931
PNG
(6-(6-(2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-4-phen...)
Show SMILES O=C1COc2ccc(cc2N1)-c1cc(cc(n1)-c1ccc2oc(=O)[nH]c2c1)-c1ccccc1
Show InChI InChI=1S/C26H17N3O4/c30-25-14-32-23-8-6-16(10-21(23)28-25)19-12-18(15-4-2-1-3-5-15)13-20(27-19)17-7-9-24-22(11-17)29-26(31)33-24/h1-13H,14H2,(H,28,30)(H,29,31)
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Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibition of AKT1 by FRET based assay


Bioorg Med Chem Lett 19: 4634-8 (2009)

Checked by Author
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50296931
PNG
(6-(6-(2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-4-phen...)
Show SMILES O=C1COc2ccc(cc2N1)-c1cc(cc(n1)-c1ccc2oc(=O)[nH]c2c1)-c1ccccc1
Show InChI InChI=1S/C26H17N3O4/c30-25-14-32-23-8-6-16(10-21(23)28-25)19-12-18(15-4-2-1-3-5-15)13-20(27-19)17-7-9-24-22(11-17)29-26(31)33-24/h1-13H,14H2,(H,28,30)(H,29,31)
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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibition of AKT3 by FRET based assay


Bioorg Med Chem Lett 19: 4634-8 (2009)

Checked by Author
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%