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PubMed code 19854649

Compile data set for download or QSAR
Found 49 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
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50026028
PNG
(CHEMBL1087001)
Show SMILES [H][C@]12CN(c3ccc(c(C)c3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3cccc(O)c3)[C@]([H])(CN1)C2 |r|
Show InChI InChI=1/C29H26N6O/c1-18-13-22(34-17-21-15-23(34)16-32-21)5-6-25(18)26-9-12-31-29-27(20-3-2-4-24(36)14-20)28(33-35(26)29)19-7-10-30-11-8-19/h2-14,21,23,32,36H,15-17H2,1H3/t21-,23-/s2
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50025947
PNG
(CHEMBL1088438)
Show SMILES [H][C@]12CN(c3ccc(c(Cl)c3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3cccc(O)c3)[C@]([H])(CN1)C2 |r|
Show InChI InChI=1/C28H23ClN6O/c29-24-14-20(34-16-19-13-21(34)15-32-19)4-5-23(24)25-8-11-31-28-26(18-2-1-3-22(36)12-18)27(33-35(25)28)17-6-9-30-10-7-17/h1-12,14,19,21,32,36H,13,15-16H2/t19-,21-/s2
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50026022
PNG
(CHEMBL1081283)
Show SMILES [H][C@]12CN(c3ccc(cc3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3ccc(F)c(O)c3)[C@]([H])(CN1C)C2 |r|
Show InChI InChI=1/C29H25FN6O/c1-34-16-23-15-22(34)17-35(23)21-5-2-18(3-6-21)25-10-13-32-29-27(20-4-7-24(30)26(37)14-20)28(33-36(25)29)19-8-11-31-12-9-19/h2-14,22-23,37H,15-17H2,1H3/t22-,23-/s2
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50025938
PNG
(CHEMBL1088439)
Show SMILES [H][C@]12CN(c3ccc(cc3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3ccc(F)c(O)c3)[C@]([H])(CN1)C2 |r|
Show InChI InChI=1/C28H23FN6O/c29-23-6-3-19(13-25(23)36)26-27(18-7-10-30-11-8-18)33-35-24(9-12-31-28(26)35)17-1-4-21(5-2-17)34-16-20-14-22(34)15-32-20/h1-13,20,22,32,36H,14-16H2/t20-,22-/s2
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50026014
PNG
(CHEMBL1081284)
Show SMILES [H][C@]12CN(c3ccc(c(C)c3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3ccc(F)c(O)c3)[C@]([H])(CN1C)C2 |r|
Show InChI InChI=1/C30H27FN6O/c1-18-13-21(36-17-22-15-23(36)16-35(22)2)4-5-24(18)26-9-12-33-30-28(20-3-6-25(31)27(38)14-20)29(34-37(26)30)19-7-10-32-11-8-19/h3-14,22-23,38H,15-17H2,1-2H3/t22-,23-/s2
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50026030
PNG
(CHEMBL1080833)
Show SMILES CN1C2CCC1CN(C2)c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(Cl)c(O)c1 |TLB:0:1:3.4:8.7.6|
Show InChI InChI=1/C30H27ClN6O/c1-35-23-7-8-24(35)18-36(17-23)22-5-2-19(3-6-22)26-12-15-33-30-28(21-4-9-25(31)27(38)16-21)29(34-37(26)30)20-10-13-32-14-11-20/h2-6,9-16,23-24,38H,7-8,17-18H2,1H3
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50026013
PNG
(CHEMBL1086882)
Show SMILES [H][C@]12CN(c3ccc(c(C)c3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3cccc(O)c3)[C@]([H])(CN1C)C2 |r|
Show InChI InChI=1/C30H28N6O/c1-19-14-22(35-18-23-16-24(35)17-34(23)2)6-7-26(19)27-10-13-32-30-28(21-4-3-5-25(37)15-21)29(33-36(27)30)20-8-11-31-12-9-20/h3-15,23-24,37H,16-18H2,1-2H3/t23-,24-/s2
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50026023
PNG
(CHEMBL1080931)
Show SMILES [H][C@]12CN(c3ccc(c(Cl)c3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3cccc(O)c3)[C@]([H])(CN1C)C2 |r|
Show InChI InChI=1/C29H25ClN6O/c1-34-16-22-14-21(34)17-35(22)20-5-6-24(25(30)15-20)26-9-12-32-29-27(19-3-2-4-23(37)13-19)28(33-36(26)29)18-7-10-31-11-8-18/h2-13,15,21-22,37H,14,16-17H2,1H3/t21-,22-/s2
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50025981
PNG
(CHEMBL1088437)
Show SMILES [H][C@]12CN(c3ccc(c(F)c3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3cccc(O)c3)[C@]([H])(CN1)C2 |r|
Show InChI InChI=1/C28H23FN6O/c29-24-14-20(34-16-19-13-21(34)15-32-19)4-5-23(24)25-8-11-31-28-26(18-2-1-3-22(36)12-18)27(33-35(25)28)17-6-9-30-10-7-17/h1-12,14,19,21,32,36H,13,15-16H2/t19-,21-/s2
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50026010
PNG
(CHEMBL1087013)
Show SMILES [H][C@]12CN(c3ccc(c(F)c3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3cccc(O)c3)[C@]([H])(CN1C)C2 |r|
Show InChI InChI=1/C29H25FN6O/c1-34-16-22-14-21(34)17-35(22)20-5-6-24(25(30)15-20)26-9-12-32-29-27(19-3-2-4-23(37)13-19)28(33-36(26)29)18-7-10-31-11-8-18/h2-13,15,21-22,37H,14,16-17H2,1H3/t21-,22-/s2
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50311989
PNG
(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-...)
Show SMILES COc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(cc1F)N1C[C@@H]2C[C@H]1CN2)-c1ccncc1 |r|
Show InChI InChI=1S/C29H25FN6O/c1-37-23-4-2-3-19(13-23)27-28(18-7-10-31-11-8-18)34-36-26(9-12-32-29(27)36)24-6-5-21(15-25(24)30)35-17-20-14-22(35)16-33-20/h2-13,15,20,22,33H,14,16-17H2,1H3/t20-,22-/m0/s1
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n/an/a 0.440n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50311984
PNG
(3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-y...)
Show SMILES Oc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(cc1)N1C[C@@H]2C[C@H]1CN2)-c1ccncc1 |r|
Show InChI InChI=1S/C28H24N6O/c35-24-3-1-2-20(14-24)26-27(19-8-11-29-12-9-19)32-34-25(10-13-30-28(26)34)18-4-6-22(7-5-18)33-17-21-15-23(33)16-31-21/h1-14,21,23,31,35H,15-17H2/t21-,23-/m0/s1
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n/an/a 0.490n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50311987
PNG
(1-((1S,4S)-5-(4-(3-(4-fluoro-3-hydroxyphenyl)-2-(p...)
Show SMILES CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(F)c(O)c1 |r|
Show InChI InChI=1S/C30H25FN6O2/c1-18(38)35-16-24-15-23(35)17-36(24)22-5-2-19(3-6-22)26-10-13-33-30-28(21-4-7-25(31)27(39)14-21)29(34-37(26)30)20-8-11-32-12-9-20/h2-14,23-24,39H,15-17H2,1H3/t23-,24-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50311986
PNG
(5-(7-(4-((1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]he...)
Show SMILES CCN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(F)c(O)c1 |r|
Show InChI InChI=1S/C30H27FN6O/c1-2-35-17-24-16-23(35)18-36(24)22-6-3-19(4-7-22)26-11-14-33-30-28(21-5-8-25(31)27(38)15-21)29(34-37(26)30)20-9-12-32-13-10-20/h3-15,23-24,38H,2,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 0.510n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50311978
PNG
(3-(3-hydroxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a...)
Show SMILES CN1C2CCC1CN(C2)c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |TLB:0:1:3.4:8.7.6|
Show InChI InChI=1S/C30H28N6O/c1-34-24-9-10-25(34)19-35(18-24)23-7-5-20(6-8-23)27-13-16-32-30-28(22-3-2-4-26(37)17-22)29(33-36(27)30)21-11-14-31-15-12-21/h2-8,11-17,24-25,37H,9-10,18-19H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50311993
PNG
(3-(4-fluoro-3-methoxyphenyl)-7-(2-methyl-4-((1S,4S...)
Show SMILES COc1cc(ccc1F)-c1c(nn2c(ccnc12)-c1ccc(cc1C)N1C[C@@H]2C[C@H]1CN2C)-c1ccncc1 |r|
Show InChI InChI=1S/C31H29FN6O/c1-19-14-22(37-18-23-16-24(37)17-36(23)2)5-6-25(19)27-10-13-34-31-29(21-4-7-26(32)28(15-21)39-3)30(35-38(27)31)20-8-11-33-12-9-20/h4-15,23-24H,16-18H2,1-3H3/t23-,24-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50311983
PNG
((R)-3-(2-(pyridin-4-yl)-7-(4-(quinuclidin-3-ylamin...)
Show SMILES Oc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(N[C@H]2CN3CCC2CC3)cc1)-c1ccncc1 |r,wU:21.23,(27.09,-49.36,;27.87,-48.04,;29.41,-48.05,;30.19,-46.72,;29.43,-45.38,;27.9,-45.37,;27.11,-46.7,;27.16,-44.03,;28.07,-42.79,;27.17,-41.54,;25.71,-42,;24.37,-41.24,;23.04,-42,;23.03,-43.54,;24.36,-44.31,;25.7,-43.54,;24.37,-39.7,;23.04,-38.93,;23.05,-37.39,;24.37,-36.62,;24.39,-35.08,;25.74,-34.33,;25.77,-32.78,;27.12,-32.02,;28.45,-32.82,;28.42,-34.36,;27.07,-35.12,;27.58,-33.8,;26.3,-33.23,;25.71,-37.38,;25.72,-38.93,;29.61,-42.8,;30.37,-44.14,;31.91,-44.15,;32.69,-42.82,;31.92,-41.48,;30.38,-41.47,)|
Show InChI InChI=1S/C30H28N6O/c37-25-3-1-2-23(18-25)28-29(22-8-13-31-14-9-22)34-36-27(10-15-32-30(28)36)21-4-6-24(7-5-21)33-26-19-35-16-11-20(26)12-17-35/h1-10,13-15,18,20,26,33,37H,11-12,16-17,19H2/t26-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50311982
PNG
((S)-3-(2-(pyridin-4-yl)-7-(4-(quinuclidin-3-ylamin...)
Show SMILES Oc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(N[C@@H]2CN3CCC2CC3)cc1)-c1ccncc1 |r,wD:21.23,(12.65,-48.79,;13.43,-47.46,;14.97,-47.48,;15.75,-46.14,;14.99,-44.81,;13.46,-44.8,;12.67,-46.12,;12.72,-43.45,;13.63,-42.21,;12.73,-40.96,;11.26,-41.43,;9.93,-40.66,;8.59,-41.43,;8.59,-42.96,;9.92,-43.74,;11.26,-42.97,;9.93,-39.13,;8.6,-38.36,;8.6,-36.81,;9.93,-36.04,;9.95,-34.5,;11.3,-33.75,;11.33,-32.2,;12.68,-31.45,;14,-32.25,;13.98,-33.79,;12.63,-34.54,;13.14,-33.23,;11.85,-32.65,;11.27,-36.81,;11.28,-38.36,;15.17,-42.22,;15.93,-43.56,;17.47,-43.57,;18.25,-42.24,;17.47,-40.9,;15.94,-40.9,)|
Show InChI InChI=1S/C30H28N6O/c37-25-3-1-2-23(18-25)28-29(22-8-13-31-14-9-22)34-36-27(10-15-32-30(28)36)21-4-6-24(7-5-21)33-26-19-35-16-11-20(26)12-17-35/h1-10,13-15,18,20,26,33,37H,11-12,16-17,19H2/t26-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50311981
PNG
(3-(2-(pyridin-4-yl)-7-(4-(quinuclidin-4-ylmethylam...)
Show SMILES Oc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(NCC23CCN(CC2)CC3)cc1)-c1ccncc1
Show InChI InChI=1S/C31H30N6O/c38-26-3-1-2-24(20-26)28-29(23-8-14-32-15-9-23)35-37-27(10-16-33-30(28)37)22-4-6-25(7-5-22)34-21-31-11-17-36(18-12-31)19-13-31/h1-10,14-16,20,34,38H,11-13,17-19,21H2
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50311991
PNG
(3-(3-methoxyphenyl)-7-(4-((1S,4S)-5-methyl-2,5-dia...)
Show SMILES COc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(cc1)N1C[C@@H]2C[C@H]1CN2C)-c1ccncc1 |r|
Show InChI InChI=1S/C30H28N6O/c1-34-18-25-17-24(34)19-35(25)23-8-6-20(7-9-23)27-12-15-32-30-28(22-4-3-5-26(16-22)37-2)29(33-36(27)30)21-10-13-31-14-11-21/h3-16,24-25H,17-19H2,1-2H3/t24-,25-/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50311990
PNG
(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)p...)
Show SMILES COc1cc(ccc1F)-c1c(nn2c(ccnc12)-c1ccc(cc1)N1C[C@@H]2C[C@H]1CN2)-c1ccncc1 |r|
Show InChI InChI=1S/C29H25FN6O/c1-37-26-14-20(4-7-24(26)30)27-28(19-8-11-31-12-9-19)34-36-25(10-13-32-29(27)36)18-2-5-22(6-3-18)35-17-21-15-23(35)16-33-21/h2-14,21,23,33H,15-17H2,1H3/t21-,23-/m0/s1
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n/an/a 8.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50311980
PNG
(3-(4-chloro-3-methoxyphenyl)-7-(4-(8-methyl-3,8-di...)
Show SMILES COc1cc(ccc1Cl)-c1c(nn2c(ccnc12)-c1ccc(cc1)N1CC2CCC(C1)N2C)-c1ccncc1 |TLB:32:31:27.28:25.24.30|
Show InChI InChI=1S/C31H29ClN6O/c1-36-24-8-9-25(36)19-37(18-24)23-6-3-20(4-7-23)27-13-16-34-31-29(22-5-10-26(32)28(17-22)39-2)30(35-38(27)31)21-11-14-33-15-12-21/h3-7,10-17,24-25H,8-9,18-19H2,1-2H3
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n/an/a 9.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50311988
PNG
(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)p...)
Show SMILES COc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(cc1)N1C[C@@H]2C[C@H]1CN2)-c1ccncc1 |r|
Show InChI InChI=1S/C29H26N6O/c1-36-25-4-2-3-21(15-25)27-28(20-9-12-30-13-10-20)33-35-26(11-14-31-29(27)35)19-5-7-23(8-6-19)34-18-22-16-24(34)17-32-22/h2-15,22,24,32H,16-18H2,1H3/t22-,24-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50311979
PNG
(3-(3-methoxyphenyl)-7-(4-(8-methyl-3,8-diazabicycl...)
Show SMILES COc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(cc1)N1CC2CCC(C1)N2C)-c1ccncc1 |TLB:31:30:26.27:24.23.29|
Show InChI InChI=1S/C31H30N6O/c1-35-25-10-11-26(35)20-36(19-25)24-8-6-21(7-9-24)28-14-17-33-31-29(23-4-3-5-27(18-23)38-2)30(34-37(28)31)22-12-15-32-16-13-22/h3-9,12-18,25-26H,10-11,19-20H2,1-2H3
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n/an/a 17n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50311992
PNG
(3-(4-fluoro-3-methoxyphenyl)-7-(4-((1S,4S)-5-methy...)
Show SMILES COc1cc(ccc1F)-c1c(nn2c(ccnc12)-c1ccc(cc1)N1C[C@@H]2C[C@H]1CN2C)-c1ccncc1 |r|
Show InChI InChI=1S/C30H27FN6O/c1-35-17-24-16-23(35)18-36(24)22-6-3-19(4-7-22)26-11-14-33-30-28(21-5-8-25(31)27(15-21)38-2)29(34-37(26)30)20-9-12-32-13-10-20/h3-15,23-24H,16-18H2,1-2H3/t23-,24-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 69n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 119n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCbeta


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 563n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ABL1


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 675n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of SRC


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 1.24E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCK


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50294451
PNG
(CHEMBL565061 | ethyl 7-(3-(3-(trifluoromethyl)benz...)
Show SMILES CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N4O3/c1-2-33-22(32)18-13-28-30-19(9-10-27-20(18)30)14-5-4-8-17(12-14)29-21(31)15-6-3-7-16(11-15)23(24,25)26/h3-13H,2H2,1H3,(H,29,31)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of LYN


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 1.94E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of FYN


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 2.46E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Met


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GCK


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 6.56E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 9.51E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CK1gamma1


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 9.71E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of RSk1


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 1.71E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 1.76E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 1.86E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 2.55E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 2.64E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 2.84E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of IKKalpha


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%