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PubMed code 22342124

Compile data set for download or QSAR
Found 9 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
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50379532
PNG
(CHEMBL2012703)
Show SMILES CN(C)CCNc1cc(Cl)cc(N2CCN(CC2)c2ncnc3n[nH]c(c23)C(F)(F)F)c1C
Show InChI InChI=1S/C21H26ClF3N8/c1-13-15(26-4-5-31(2)3)10-14(22)11-16(13)32-6-8-33(9-7-32)20-17-18(21(23,24)25)29-30-19(17)27-12-28-20/h10-12,26H,4-9H2,1-3H3,(H,27,28,29,30)
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n/an/a 24n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of Rsk2


Bioorg Med Chem Lett 22: 2283-6 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50379531
PNG
(CHEMBL2012702)
Show SMILES CN(C)CCNc1cc(Cl)cc(N2CCN(CC2)c2ncnc3n[nH]c(Br)c23)c1C
Show InChI InChI=1S/C20H26BrClN8/c1-13-15(23-4-5-28(2)3)10-14(22)11-16(13)29-6-8-30(9-7-29)20-17-18(21)26-27-19(17)24-12-25-20/h10-12,23H,4-9H2,1-3H3,(H,24,25,26,27)
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n/an/a 53n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of Akt1


Bioorg Med Chem Lett 22: 2283-6 (2012)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50379530
PNG
(CHEMBL2012701)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN(C)C)c3C)c12
Show InChI InChI=1S/C22H31ClN8/c1-5-17-20-21(28-27-17)25-14-26-22(20)31-10-8-30(9-11-31)19-13-16(23)12-18(15(19)2)24-6-7-29(3)4/h12-14,24H,5-11H2,1-4H3,(H,25,26,27,28)
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n/an/a 68n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of Rsk2


Bioorg Med Chem Lett 22: 2283-6 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50379532
PNG
(CHEMBL2012703)
Show SMILES CN(C)CCNc1cc(Cl)cc(N2CCN(CC2)c2ncnc3n[nH]c(c23)C(F)(F)F)c1C
Show InChI InChI=1S/C21H26ClF3N8/c1-13-15(26-4-5-31(2)3)10-14(22)11-16(13)32-6-8-33(9-7-32)20-17-18(21(23,24)25)29-30-19(17)27-12-28-20/h10-12,26H,4-9H2,1-3H3,(H,27,28,29,30)
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n/an/a 74n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of Akt1


Bioorg Med Chem Lett 22: 2283-6 (2012)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50379531
PNG
(CHEMBL2012702)
Show SMILES CN(C)CCNc1cc(Cl)cc(N2CCN(CC2)c2ncnc3n[nH]c(Br)c23)c1C
Show InChI InChI=1S/C20H26BrClN8/c1-13-15(23-4-5-28(2)3)10-14(22)11-16(13)29-6-8-30(9-7-29)20-17-18(21)26-27-19(17)24-12-25-20/h10-12,23H,4-9H2,1-3H3,(H,24,25,26,27)
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PubMed
n/an/a 248n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of Rsk2


Bioorg Med Chem Lett 22: 2283-6 (2012)

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


(Homo sapiens (human))
BDBM50379531
PNG
(CHEMBL2012702)
Show SMILES CN(C)CCNc1cc(Cl)cc(N2CCN(CC2)c2ncnc3n[nH]c(Br)c23)c1C
Show InChI InChI=1S/C20H26BrClN8/c1-13-15(23-4-5-28(2)3)10-14(22)11-16(13)29-6-8-30(9-7-29)20-17-18(21)26-27-19(17)24-12-25-20/h10-12,23H,4-9H2,1-3H3,(H,24,25,26,27)
PDB
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PubMed
n/an/a 311n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of Akt2


Bioorg Med Chem Lett 22: 2283-6 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50379530
PNG
(CHEMBL2012701)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN(C)C)c3C)c12
Show InChI InChI=1S/C22H31ClN8/c1-5-17-20-21(28-27-17)25-14-26-22(20)31-10-8-30(9-11-31)19-13-16(23)12-18(15(19)2)24-6-7-29(3)4/h12-14,24H,5-11H2,1-4H3,(H,25,26,27,28)
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PubMed
n/an/a 371n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of Akt1


Bioorg Med Chem Lett 22: 2283-6 (2012)

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


(Homo sapiens (human))
BDBM50379532
PNG
(CHEMBL2012703)
Show SMILES CN(C)CCNc1cc(Cl)cc(N2CCN(CC2)c2ncnc3n[nH]c(c23)C(F)(F)F)c1C
Show InChI InChI=1S/C21H26ClF3N8/c1-13-15(26-4-5-31(2)3)10-14(22)11-16(13)32-6-8-33(9-7-32)20-17-18(21(23,24)25)29-30-19(17)27-12-28-20/h10-12,26H,4-9H2,1-3H3,(H,27,28,29,30)
PDB
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PubMed
n/an/a 477n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of Akt2


Bioorg Med Chem Lett 22: 2283-6 (2012)

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


(Homo sapiens (human))
BDBM50379530
PNG
(CHEMBL2012701)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN(C)C)c3C)c12
Show InChI InChI=1S/C22H31ClN8/c1-5-17-20-21(28-27-17)25-14-26-22(20)31-10-8-30(9-11-31)19-13-16(23)12-18(15(19)2)24-6-7-29(3)4/h12-14,24H,5-11H2,1-4H3,(H,25,26,27,28)
PDB
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PubMed
n/an/a 3.02E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of Akt2


Bioorg Med Chem Lett 22: 2283-6 (2012)

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