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2 similar compounds to monomer 50379530

Wt: 469.0
BDBM50380933
Wt: 482.9
BDBM50379532

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50380933,50379532   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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
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)
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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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM50380933
PNG
(CHEMBL2012699)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN4CCCC4)c3C)c12
Show InChI InChI=1S/C24H33ClN8/c1-3-19-22-23(30-29-19)27-16-28-24(22)33-12-10-32(11-13-33)21-15-18(25)14-20(17(21)2)26-6-9-31-7-4-5-8-31/h14-16,26H,3-13H2,1-2H3,(H,27,28,29,30)
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n/an/a 3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay


Bioorg Med Chem Lett 22: 2693-7 (2012)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM50380933
PNG
(CHEMBL2012699)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN4CCCC4)c3C)c12
Show InChI InChI=1S/C24H33ClN8/c1-3-19-22-23(30-29-19)27-16-28-24(22)33-12-10-32(11-13-33)21-15-18(25)14-20(17(21)2)26-6-9-31-7-4-5-8-31/h14-16,26H,3-13H2,1-2H3,(H,27,28,29,30)
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n/an/a 80n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of p70S6K-mediated ribosomal protein S6 phosphorylation in human A549 cells after 3 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 2693-7 (2012)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM50380933
PNG
(CHEMBL2012699)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN4CCCC4)c3C)c12
Show InChI InChI=1S/C24H33ClN8/c1-3-19-22-23(30-29-19)27-16-28-24(22)33-12-10-32(11-13-33)21-15-18(25)14-20(17(21)2)26-6-9-31-7-4-5-8-31/h14-16,26H,3-13H2,1-2H3,(H,27,28,29,30)
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n/an/a 832n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of p70S6K-mediated ribosomal protein S6 phosphorylation in human PC3 cells after 3 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 2693-7 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50380933
PNG
(CHEMBL2012699)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN4CCCC4)c3C)c12
Show InChI InChI=1S/C24H33ClN8/c1-3-19-22-23(30-29-19)27-16-28-24(22)33-12-10-32(11-13-33)21-15-18(25)14-20(17(21)2)26-6-9-31-7-4-5-8-31/h14-16,26H,3-13H2,1-2H3,(H,27,28,29,30)
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n/an/a 3.59E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of AKT1-mediated GSK3beta phosphorylation in human PC3 cells after 3 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 2693-7 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50380933
PNG
(CHEMBL2012699)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN4CCCC4)c3C)c12
Show InChI InChI=1S/C24H33ClN8/c1-3-19-22-23(30-29-19)27-16-28-24(22)33-12-10-32(11-13-33)21-15-18(25)14-20(17(21)2)26-6-9-31-7-4-5-8-31/h14-16,26H,3-13H2,1-2H3,(H,27,28,29,30)
PDB
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PubMed
n/an/a 434n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 3 hrs by luciferase based chemiluminescence assay


Bioorg Med Chem Lett 22: 2693-7 (2012)

More data for this
Ligand-Target Pair