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Compile Data Set for Download or QSAR

Found 28 hits of ki data for polymerid = 2111   
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 (P70S6K)


(Homo sapiens (Human))
BDBM50310456
PNG
(4-(1-cyclobutyl-1H-benzo[d]imidazol-2-yl)-1,2,5-ox...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1C1CCC1
Show InChI InChI=1S/C13H13N5O/c14-12-11(16-19-17-12)13-15-9-6-1-2-7-10(9)18(13)8-4-3-5-8/h1-2,6-8H,3-5H2,(H2,14,17)
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4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310458
PNG
(4-(1-cyclohexyl-1H-benzo[d]imidazol-2-yl)-1,2,5-ox...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1C1CCCCC1
Show InChI InChI=1S/C15H17N5O/c16-14-13(18-21-19-14)15-17-11-8-4-5-9-12(11)20(15)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,16,19)
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12n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310459
PNG
(4-(1-(cyclopropylmethyl)-1H-benzo[d]imidazol-2-yl)...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1CC1CC1
Show InChI InChI=1S/C13H13N5O/c14-12-11(16-19-17-12)13-15-9-3-1-2-4-10(9)18(13)7-8-5-6-8/h1-4,8H,5-7H2,(H2,14,17)
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12n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310457
PNG
(4-(1-cyclopentyl-1H-benzo[d]imidazol-2-yl)-1,2,5-o...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1C1CCCC1
Show InChI InChI=1S/C14H15N5O/c15-13-12(17-20-18-13)14-16-10-7-3-4-8-11(10)19(14)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,15,18)
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13n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310475
PNG
((2-(4-amino-1,2,5-oxadiazol-3-yl)-1-cyclobutyl-1H-...)
Show SMILES Nc1nonc1-c1nc2cc(CO)ccc2n1C1CCC1
Show InChI InChI=1S/C14H15N5O2/c15-13-12(17-21-18-13)14-16-10-6-8(7-20)4-5-11(10)19(14)9-2-1-3-9/h4-6,9,20H,1-3,7H2,(H2,15,18)
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16n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310474
PNG
(4-(1-cyclobutyl-5-methyl-1H-benzo[d]imidazol-2-yl)...)
Show SMILES Cc1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N
Show InChI InChI=1S/C14H15N5O/c1-8-5-6-11-10(7-8)16-14(12-13(15)18-20-17-12)19(11)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H2,15,18)
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19n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310461
PNG
(4-(1-isobutyl-1H-benzo[d]imidazol-2-yl)-1,2,5-oxad...)
Show SMILES CC(C)Cn1c(nc2ccccc12)-c1nonc1N
Show InChI InChI=1S/C13H15N5O/c1-8(2)7-18-10-6-4-3-5-9(10)15-13(18)11-12(14)17-19-16-11/h3-6,8H,7H2,1-2H3,(H2,14,17)
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22n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310463
PNG
(2-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzo[d]imi...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1-c1ccccc1C#N
Show InChI InChI=1S/C16H10N6O/c17-9-10-5-1-3-7-12(10)22-13-8-4-2-6-11(13)19-16(22)14-15(18)21-23-20-14/h1-8H,(H2,18,21)
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26n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310466
PNG
(4-(1-(2-methoxyphenyl)-1H-benzo[d]imidazol-2-yl)-1...)
Show SMILES COc1ccccc1-n1c(nc2ccccc12)-c1nonc1N
Show InChI InChI=1S/C16H13N5O2/c1-22-13-9-5-4-8-12(13)21-11-7-3-2-6-10(11)18-16(21)14-15(17)20-23-19-14/h2-9H,1H3,(H2,17,20)
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31n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310471
PNG
(4-(1-cyclobutyl-5-methoxy-1H-benzo[d]imidazol-2-yl...)
Show SMILES COc1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N
Show InChI InChI=1S/C14H15N5O2/c1-20-9-5-6-11-10(7-9)16-14(12-13(15)18-21-17-12)19(11)8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,15,18)
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39n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310454
PNG
(4-(1-isopropyl-1H-benzo[d]imidazol-2-yl)-1,2,5-oxa...)
Show SMILES CC(C)n1c(nc2ccccc12)-c1nonc1N
Show InChI InChI=1S/C12H13N5O/c1-7(2)17-9-6-4-3-5-8(9)14-12(17)10-11(13)16-18-15-10/h3-7H,1-2H3,(H2,13,16)
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40n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50168588
PNG
(4-(1-Ethyl-1H-benzoimidazol-2-yl)-furazan-3-ylamin...)
Show SMILES CCn1c(nc2ccccc12)-c1nonc1N
Show InChI InChI=1S/C11H11N5O/c1-2-16-8-6-4-3-5-7(8)13-11(16)9-10(12)15-17-14-9/h3-6H,2H2,1H3,(H2,12,15)
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50n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310460
PNG
(4-(1-(cyclobutylmethyl)-1H-benzo[d]imidazol-2-yl)-...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1CC1CCC1
Show InChI InChI=1S/C14H15N5O/c15-13-12(17-20-18-13)14-16-10-6-1-2-7-11(10)19(14)8-9-4-3-5-9/h1-2,6-7,9H,3-5,8H2,(H2,15,18)
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69n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310476
PNG
(4-(1-isobutyl-4-phenyl-1H-imidazol-2-yl)-1,2,5-oxa...)
Show SMILES CC(C)Cn1cc(nc1-c1nonc1N)-c1ccccc1
Show InChI InChI=1S/C15H17N5O/c1-10(2)8-20-9-12(11-6-4-3-5-7-11)17-15(20)13-14(16)19-21-18-13/h3-7,9-10H,8H2,1-2H3,(H2,16,19)
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89n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310455
PNG
(4-(1-cyclopropyl-1H-benzo[d]imidazol-2-yl)-1,2,5-o...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1C1CC1
Show InChI InChI=1S/C12H11N5O/c13-11-10(15-18-16-11)12-14-8-3-1-2-4-9(8)17(12)7-5-6-7/h1-4,7H,5-6H2,(H2,13,16)
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95n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310462
PNG
(4-(1-phenyl-1H-benzo[d]imidazol-2-yl)-1,2,5-oxadia...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1-c1ccccc1
Show InChI InChI=1S/C15H11N5O/c16-14-13(18-21-19-14)15-17-11-8-4-5-9-12(11)20(15)10-6-2-1-3-7-10/h1-9H,(H2,16,19)
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110n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310477
PNG
(4-(1-isobutyl-4-methyl-1H-imidazol-2-yl)-1,2,5-oxa...)
Show SMILES CC(C)Cn1cc(C)nc1-c1nonc1N
Show InChI InChI=1S/C10H15N5O/c1-6(2)4-15-5-7(3)12-10(15)8-9(11)14-16-13-8/h5-6H,4H2,1-3H3,(H2,11,14)
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340n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310472
PNG
(CHEMBL1080073 | methyl 2-(4-amino-1,2,5-oxadiazol-...)
Show SMILES COC(=O)c1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N
Show InChI InChI=1S/C15H15N5O3/c1-22-15(21)8-5-6-11-10(7-8)17-14(12-13(16)19-23-18-12)20(11)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H2,16,19)
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410n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310453
PNG
(4-(1-methyl-1H-benzo[d]imidazol-2-yl)-1,2,5-oxadia...)
Show SMILES Cn1c(nc2ccccc12)-c1nonc1N
Show InChI InChI=1S/C10H9N5O/c1-15-7-5-3-2-4-6(7)12-10(15)8-9(11)14-16-13-8/h2-5H,1H3,(H2,11,14)
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540n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50277583
PNG
(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)
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540n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K


J Med Chem 53: 4367-78 (2010)

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


(Homo sapiens (Human))
BDBM50310468
PNG
(4-(1-(4-methoxyphenyl)-1H-benzo[d]imidazol-2-yl)-1...)
Show SMILES COc1ccc(cc1)-n1c(nc2ccccc12)-c1nonc1N
Show InChI InChI=1S/C16H13N5O2/c1-22-11-8-6-10(7-9-11)21-13-5-3-2-4-12(13)18-16(21)14-15(17)20-23-19-14/h2-9H,1H3,(H2,17,20)
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550n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310464
PNG
(3-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzo[d]imi...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1-c1cccc(c1)C#N
Show InChI InChI=1S/C16H10N6O/c17-9-10-4-3-5-11(8-10)22-13-7-2-1-6-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,(H2,18,21)
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800n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310465
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzo[d]imi...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H10N6O/c17-9-10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,(H2,18,21)
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800n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of P70S6K1


J Med Chem 54: 2341-50 (2011)

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


(Homo sapiens (Human))
BDBM50310478
PNG
(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-isobutyl-1H-imi...)
Show SMILES CC(C)Cn1cc(nc1-c1nonc1N)C#N
Show InChI InChI=1S/C10H12N6O/c1-6(2)4-16-5-7(3-11)13-10(16)8-9(12)15-17-14-8/h5-6H,4H2,1-2H3,(H2,12,15)
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1.60E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310467
PNG
(4-(1-(3-methoxyphenyl)-1H-benzo[d]imidazol-2-yl)-1...)
Show SMILES COc1cccc(c1)-n1c(nc2ccccc12)-c1nonc1N
Show InChI InChI=1S/C16H13N5O2/c1-22-11-6-4-5-10(9-11)21-13-8-3-2-7-12(13)18-16(21)14-15(17)20-23-19-14/h2-9H,1H3,(H2,17,20)
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1.90E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50310473
PNG
(CHEMBL1080245 | N-(2-(4-amino-1,2,5-oxadiazol-3-yl...)
Show SMILES CC(=O)Nc1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N
Show InChI InChI=1S/C15H16N6O2/c1-8(22)17-9-5-6-12-11(7-9)18-15(13-14(16)20-23-19-13)21(12)10-3-2-4-10/h5-7,10H,2-4H2,1H3,(H2,16,20)(H,17,22)
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2.20E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)

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


(Homo sapiens (Human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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>6.67E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of P70S6K


Bioorg Med Chem Lett 17: 6593-601 (2007)

More data for this
Ligand-Target Pair