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Compile Data Set for Download or QSAR

Found 329 hits with Last Name = 'le brazidec' and Initial = 'jy'   
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
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50042863
PNG
(CHEMBL3354513)
Show SMILES Fc1cccc(F)c1-c1nc(cs1)C(=O)Nc1cnccc1OC1CCNCC1
Show InChI InChI=1S/C20H18F2N4O2S/c21-13-2-1-3-14(22)18(13)20-26-16(11-29-20)19(27)25-15-10-24-9-6-17(15)28-12-4-7-23-8-5-12/h1-3,6,9-12,23H,4-5,7-8H2,(H,25,27)
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n/an/a 1n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


Bioorg Med Chem Lett 25: 474-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.041
BindingDB Entry DOI: 10.7270/Q2VQ34BW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50042864
PNG
(CHEMBL3354514)
Show SMILES Fc1cccc(F)c1-c1nc(cs1)C(=O)Nc1cnccc1OC1CCCCC1
Show InChI InChI=1S/C21H19F2N3O2S/c22-14-7-4-8-15(23)19(14)21-26-17(12-29-21)20(27)25-16-11-24-10-9-18(16)28-13-5-2-1-3-6-13/h4,7-13H,1-3,5-6H2,(H,25,27)
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n/an/a 1n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


Bioorg Med Chem Lett 25: 474-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.041
BindingDB Entry DOI: 10.7270/Q2VQ34BW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50042866
PNG
(CHEMBL3354516)
Show SMILES Fc1cccc(F)c1-c1nc(cs1)C(=O)Nc1cnccc1OCC1CCOCC1
Show InChI InChI=1S/C21H19F2N3O3S/c22-14-2-1-3-15(23)19(14)21-26-17(12-30-21)20(27)25-16-10-24-7-4-18(16)29-11-13-5-8-28-9-6-13/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,25,27)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


Bioorg Med Chem Lett 25: 474-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.041
BindingDB Entry DOI: 10.7270/Q2VQ34BW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50042867
PNG
(CHEMBL3354517)
Show SMILES O[C@H]1CC[C@@H](CC1)Oc1ccncc1NC(=O)c1csc(n1)-c1c(F)cccc1F |r,wU:4.7,wD:1.0,(22.36,-34.59,;21.11,-33.68,;21.28,-32.14,;20.03,-31.23,;18.63,-31.87,;18.46,-33.4,;19.7,-34.3,;17.39,-30.97,;17.55,-29.44,;18.95,-28.81,;19.11,-27.27,;17.85,-26.37,;16.45,-27.01,;16.3,-28.53,;14.9,-29.16,;13.65,-28.26,;13.8,-26.73,;12.24,-28.89,;10.91,-28.13,;9.77,-29.16,;10.4,-30.57,;11.93,-30.4,;9.63,-31.9,;10.41,-33.23,;11.95,-33.23,;9.64,-34.58,;8.09,-34.58,;7.32,-33.24,;8.1,-31.91,;7.33,-30.57,)|
Show InChI InChI=1/C21H19F2N3O3S/c22-14-2-1-3-15(23)19(14)21-26-17(11-30-21)20(28)25-16-10-24-9-8-18(16)29-13-6-4-12(27)5-7-13/h1-3,8-13,27H,4-7H2,(H,25,28)/t12-,13-
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n/an/a 1n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


Bioorg Med Chem Lett 25: 474-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.041
BindingDB Entry DOI: 10.7270/Q2VQ34BW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50042868
PNG
(CHEMBL3354518)
Show SMILES Nc1sc(nc1C(=O)Nc1cnccc1O[C@H]1CCNC1)-c1c(F)cccc1F |r|
Show InChI InChI=1/C19H17F2N5O2S/c20-11-2-1-3-12(21)15(11)19-26-16(17(22)29-19)18(27)25-13-9-24-7-5-14(13)28-10-4-6-23-8-10/h1-3,5,7,9-10,23H,4,6,8,22H2,(H,25,27)/t10-/s2
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


Bioorg Med Chem Lett 25: 474-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.041
BindingDB Entry DOI: 10.7270/Q2VQ34BW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50042868
PNG
(CHEMBL3354518)
Show SMILES Nc1sc(nc1C(=O)Nc1cnccc1O[C@H]1CCNC1)-c1c(F)cccc1F |r|
Show InChI InChI=1/C19H17F2N5O2S/c20-11-2-1-3-12(21)15(11)19-26-16(17(22)29-19)18(27)25-13-9-24-7-5-14(13)28-10-4-6-23-8-10/h1-3,5,7,9-10,23H,4,6,8,22H2,(H,25,27)/t10-/s2
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin)


Bioorg Med Chem Lett 25: 474-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.041
BindingDB Entry DOI: 10.7270/Q2VQ34BW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50042863
PNG
(CHEMBL3354513)
Show SMILES Fc1cccc(F)c1-c1nc(cs1)C(=O)Nc1cnccc1OC1CCNCC1
Show InChI InChI=1S/C20H18F2N4O2S/c21-13-2-1-3-14(22)18(13)20-26-16(11-29-20)19(27)25-15-10-24-9-6-17(15)28-12-4-7-23-8-5-12/h1-3,6,9-12,23H,4-5,7-8H2,(H,25,27)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


Bioorg Med Chem Lett 25: 474-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.041
BindingDB Entry DOI: 10.7270/Q2VQ34BW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50042868
PNG
(CHEMBL3354518)
Show SMILES Nc1sc(nc1C(=O)Nc1cnccc1O[C@H]1CCNC1)-c1c(F)cccc1F |r|
Show InChI InChI=1/C19H17F2N5O2S/c20-11-2-1-3-12(21)15(11)19-26-16(17(22)29-19)18(27)25-13-9-24-7-5-14(13)28-10-4-6-23-8-10/h1-3,5,7,9-10,23H,4,6,8,22H2,(H,25,27)/t10-/s2
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


Bioorg Med Chem Lett 25: 474-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.041
BindingDB Entry DOI: 10.7270/Q2VQ34BW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50042871
PNG
(CHEMBL3354521)
Show SMILES Fc1cccc(F)c1-c1cccc(n1)C(=O)Nc1cnccc1OC1CCNCC1
Show InChI InChI=1S/C22H20F2N4O2/c23-15-3-1-4-16(24)21(15)17-5-2-6-18(27-17)22(29)28-19-13-26-12-9-20(19)30-14-7-10-25-11-8-14/h1-6,9,12-14,25H,7-8,10-11H2,(H,28,29)
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n/an/a 1n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


Bioorg Med Chem Lett 25: 474-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.041
BindingDB Entry DOI: 10.7270/Q2VQ34BW
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50352206
PNG
(CHEMBL1825089)
Show SMILES CS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
Show InChI InChI=1S/C25H35N7O3S/c1-36(33,34)31(13-12-30-14-16-35-17-15-30)22-10-8-21(9-11-22)28-25-26-18-20-19-27-32(24(20)29-25)23-6-4-2-3-5-7-23/h8-11,18-19,23H,2-7,12-17H2,1H3,(H,26,28,29)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 using a fluorescent probe 7-methoxy-4-trifluoromethylcoumarin


Bioorg Med Chem Lett 21: 5633-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.129
BindingDB Entry DOI: 10.7270/Q2HM58VW
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31093
PNG
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)
Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
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n/an/a 1.5n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM50379503
PNG
(CHEMBL2012415)
Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@@H]1CN1CCOCC1 |r|
Show InChI InChI=1S/C26H34N8O2/c1-31-15-20(12-23(31)25(35)33-4-2-3-21(33)16-32-5-7-36-8-6-32)29-26-27-13-19-14-28-34(24(19)30-26)22-10-17-9-18(17)11-22/h12-15,17-18,21-22H,2-11,16H2,1H3,(H,27,29,30)/t17-,18+,21-,22-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50042861
PNG
(CHEMBL3354511)
Show SMILES Fc1cccc(F)c1-c1nc(cs1)C(=O)Nc1cnccc1O[C@H]1CCNC1 |r|
Show InChI InChI=1/C19H16F2N4O2S/c20-12-2-1-3-13(21)17(12)19-25-15(10-28-19)18(26)24-14-9-23-7-5-16(14)27-11-4-6-22-8-11/h1-3,5,7,9-11,22H,4,6,8H2,(H,24,26)/t11-/s2
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n/an/a 2n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


Bioorg Med Chem Lett 25: 474-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.041
BindingDB Entry DOI: 10.7270/Q2VQ34BW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50042867
PNG
(CHEMBL3354517)
Show SMILES O[C@H]1CC[C@@H](CC1)Oc1ccncc1NC(=O)c1csc(n1)-c1c(F)cccc1F |r,wU:4.7,wD:1.0,(22.36,-34.59,;21.11,-33.68,;21.28,-32.14,;20.03,-31.23,;18.63,-31.87,;18.46,-33.4,;19.7,-34.3,;17.39,-30.97,;17.55,-29.44,;18.95,-28.81,;19.11,-27.27,;17.85,-26.37,;16.45,-27.01,;16.3,-28.53,;14.9,-29.16,;13.65,-28.26,;13.8,-26.73,;12.24,-28.89,;10.91,-28.13,;9.77,-29.16,;10.4,-30.57,;11.93,-30.4,;9.63,-31.9,;10.41,-33.23,;11.95,-33.23,;9.64,-34.58,;8.09,-34.58,;7.32,-33.24,;8.1,-31.91,;7.33,-30.57,)|
Show InChI InChI=1/C21H19F2N3O3S/c22-14-2-1-3-15(23)19(14)21-26-17(11-30-21)20(28)25-16-10-24-9-8-18(16)29-13-6-4-12(27)5-7-13/h1-3,8-13,27H,4-7H2,(H,25,28)/t12-,13-
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


Bioorg Med Chem Lett 25: 474-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.041
BindingDB Entry DOI: 10.7270/Q2VQ34BW
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50384165
PNG
(CHEMBL2029908)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnco4)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C25H30N8O2/c1-30-7-9-32(10-8-30)24(34)21-12-18(15-31(21)2)28-25-27-13-17-11-20(22-14-26-16-35-22)33(23(17)29-25)19-5-3-4-6-19/h11-16,19H,3-10H2,1-2H3,(H,27,28,29)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50384166
PNG
(CHEMBL2029909)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(C)c4)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C26H33N9O/c1-31-8-10-34(11-9-31)25(36)23-13-20(17-32(23)2)29-26-27-14-18-12-22(19-15-28-33(3)16-19)35(24(18)30-26)21-6-4-5-7-21/h12-17,21H,4-11H2,1-3H3,(H,27,29,30)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50384167
PNG
(CHEMBL2029910)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cncn4C)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C26H33N9O/c1-31-8-10-34(11-9-31)25(36)22-13-19(16-32(22)2)29-26-28-14-18-12-21(23-15-27-17-33(23)3)35(24(18)30-26)20-6-4-5-7-20/h12-17,20H,4-11H2,1-3H3,(H,28,29,30)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50384168
PNG
(CHEMBL2029911)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(C)c4C)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C27H35N9O/c1-18-22(16-29-34(18)4)23-13-19-15-28-27(31-25(19)36(23)21-7-5-6-8-21)30-20-14-24(33(3)17-20)26(37)35-11-9-32(2)10-12-35/h13-17,21H,5-12H2,1-4H3,(H,28,30,31)
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n/an/a 2n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50384169
PNG
(CHEMBL2029912)
Show SMILES CC(C)CCn1cc(cn1)-c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
Show InChI InChI=1S/C30H41N9O/c1-21(2)9-10-38-19-23(18-32-38)26-15-22-17-31-30(34-28(22)39(26)25-7-5-6-8-25)33-24-16-27(36(4)20-24)29(40)37-13-11-35(3)12-14-37/h15-21,25H,5-14H2,1-4H3,(H,31,33,34)
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n/an/a 2n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50384171
PNG
(CHEMBL2029914)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(Cc5ccccc5)c4)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C32H37N9O/c1-37-12-14-39(15-13-37)31(42)29-17-26(22-38(29)2)35-32-33-18-24-16-28(41(30(24)36-32)27-10-6-7-11-27)25-19-34-40(21-25)20-23-8-4-3-5-9-23/h3-5,8-9,16-19,21-22,27H,6-7,10-15,20H2,1-2H3,(H,33,35,36)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50379494
PNG
(CHEMBL2012406)
Show SMILES C[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
Show InChI InChI=1S/C22H27N7O/c1-13-4-3-5-28(13)21(30)19-9-17(12-27(19)2)25-22-23-10-16-11-24-29(20(16)26-22)18-7-14-6-15(14)8-18/h9-15,18H,3-8H2,1-2H3,(H,23,25,26)/t13-,14-,15+,18-/m1/s1
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50379497
PNG
(CHEMBL2012409)
Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CO |r|
Show InChI InChI=1S/C22H27N7O2/c1-27-11-16(8-19(27)21(31)28-4-2-3-17(28)12-30)25-22-23-9-15-10-24-29(20(15)26-22)18-6-13-5-14(13)7-18/h8-11,13-14,17-18,30H,2-7,12H2,1H3,(H,23,25,26)/t13-,14+,17-,18-/m0/s1
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50384172
PNG
(CHEMBL2029900)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(CN=O)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C23H30N8O2/c1-28-7-9-30(10-8-28)22(32)20-12-17(15-29(20)2)26-23-24-13-16-11-19(14-25-33)31(21(16)27-23)18-5-3-4-6-18/h11-13,15,18H,3-10,14H2,1-2H3,(H,24,26,27)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM50150160
PNG
(CHEMBL338481 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)OCC(C)C |w:6.6,16.16,t:28|
Show InChI InChI=1S/C33H47N3O10/c1-17(2)16-45-33(42)36-27-22-12-18(3)13-26(44-8)28(38)20(5)14-21(6)30(46-32(34)41)25(43-7)11-9-10-19(4)31(40)35-23(29(22)39)15-24(27)37/h9-12,14-15,17,20,25-26,28,30,37-39H,13,16H2,1-8H3,(H2,34,41)(H,35,40)(H,36,42)/b11-9?,18-12?,19-10?,21-14+/t20-,25-,26-,28+,30-/m0/s1
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Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Concentration of test compound required for inhibition of binding of rHsp90 in MCF-7 cell lysate


J Med Chem 47: 3865-73 (2004)


Article DOI: 10.1021/jm0306125
BindingDB Entry DOI: 10.7270/Q2NC60N3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50379500
PNG
(CHEMBL2012412)
Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCOCC1 |r|
Show InChI InChI=1S/C26H34N8O2/c1-31-15-20(12-23(31)25(35)33-4-2-3-21(33)16-32-5-7-36-8-6-32)29-26-27-13-19-14-28-34(24(19)30-26)22-10-17-9-18(17)11-22/h12-15,17-18,21-22H,2-11,16H2,1H3,(H,27,29,30)/t17-,18+,21-,22-/m0/s1
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50352202
PNG
(CHEMBL1825101)
Show SMILES CS(=O)(=O)N(CCN)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
Show InChI InChI=1S/C20H28N8O2S/c1-31(29,30)27(11-10-21)18-9-8-16(14-22-18)25-20-23-12-15-13-24-28(19(15)26-20)17-6-4-2-3-5-7-17/h8-9,12-14,17H,2-7,10-11,21H2,1H3,(H,23,25,26)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B assessed as phosphorylation of Z-lyte Peptide at 0.017 to 30 nM by FRET assay


Bioorg Med Chem Lett 21: 5633-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.129
BindingDB Entry DOI: 10.7270/Q2HM58VW
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50379500
PNG
(CHEMBL2012412)
Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCOCC1 |r|
Show InChI InChI=1S/C26H34N8O2/c1-31-15-20(12-23(31)25(35)33-4-2-3-21(33)16-32-5-7-36-8-6-32)29-26-27-13-19-14-28-34(24(19)30-26)22-10-17-9-18(17)11-22/h12-15,17-18,21-22H,2-11,16H2,1H3,(H,27,29,30)/t17-,18+,21-,22-/m0/s1
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50379503
PNG
(CHEMBL2012415)
Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@@H]1CN1CCOCC1 |r|
Show InChI InChI=1S/C26H34N8O2/c1-31-15-20(12-23(31)25(35)33-4-2-3-21(33)16-32-5-7-36-8-6-32)29-26-27-13-19-14-28-34(24(19)30-26)22-10-17-9-18(17)11-22/h12-15,17-18,21-22H,2-11,16H2,1H3,(H,27,29,30)/t17-,18+,21-,22-/m1/s1
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50379492
PNG
(CHEMBL2012402)
Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(N)=O |r|
Show InChI InChI=1S/C17H19N7O/c1-23-8-12(5-14(23)15(18)25)21-17-19-6-11-7-20-24(16(11)22-17)13-3-9-2-10(9)4-13/h5-10,13H,2-4H2,1H3,(H2,18,25)(H,19,21,22)/t9-,10+,13-
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50379493
PNG
(CHEMBL2012404)
Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
Show InChI InChI=1S/C24H30N8O2/c1-29(2)22(33)19-5-4-6-31(19)23(34)20-10-17(13-30(20)3)27-24-25-11-16-12-26-32(21(16)28-24)18-8-14-7-15(14)9-18/h10-15,18-19H,4-9H2,1-3H3,(H,25,27,28)/t14-,15+,18-,19-/m0/s1
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50379494
PNG
(CHEMBL2012406)
Show SMILES C[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
Show InChI InChI=1S/C22H27N7O/c1-13-4-3-5-28(13)21(30)19-9-17(12-27(19)2)25-22-23-10-16-11-24-29(20(16)26-22)18-7-14-6-15(14)8-18/h9-15,18H,3-8H2,1-2H3,(H,23,25,26)/t13-,14-,15+,18-/m1/s1
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50379496
PNG
(CHEMBL2012408)
Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C22H26N8O2/c1-28-11-15(8-18(28)21(32)29-4-2-3-17(29)19(23)31)26-22-24-9-14-10-25-30(20(14)27-22)16-6-12-5-13(12)7-16/h8-13,16-17H,2-7H2,1H3,(H2,23,31)(H,24,26,27)/t12-,13+,16-,17-/m0/s1
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50384166
PNG
(CHEMBL2029909)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(C)c4)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C26H33N9O/c1-31-8-10-34(11-9-31)25(36)23-13-20(17-32(23)2)29-26-27-14-18-12-22(19-15-28-33(3)16-19)35(24(18)30-26)21-6-4-5-7-21/h12-17,21H,4-11H2,1-3H3,(H,27,29,30)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50384165
PNG
(CHEMBL2029908)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnco4)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C25H30N8O2/c1-30-7-9-32(10-8-30)24(34)21-12-18(15-31(21)2)28-25-27-13-17-11-20(22-14-26-16-35-22)33(23(17)29-25)19-5-3-4-6-19/h11-16,19H,3-10H2,1-2H3,(H,27,28,29)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50384169
PNG
(CHEMBL2029912)
Show SMILES CC(C)CCn1cc(cn1)-c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
Show InChI InChI=1S/C30H41N9O/c1-21(2)9-10-38-19-23(18-32-38)26-15-22-17-31-30(34-28(22)39(26)25-7-5-6-8-25)33-24-16-27(36(4)20-24)29(40)37-13-11-35(3)12-14-37/h15-21,25H,5-14H2,1-4H3,(H,31,33,34)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50384168
PNG
(CHEMBL2029911)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(C)c4C)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C27H35N9O/c1-18-22(16-29-34(18)4)23-13-19-15-28-27(31-25(19)36(23)21-7-5-6-8-21)30-20-14-24(33(3)17-20)26(37)35-11-9-32(2)10-12-35/h13-17,21H,5-12H2,1-4H3,(H,28,30,31)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50384171
PNG
(CHEMBL2029914)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(Cc5ccccc5)c4)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C32H37N9O/c1-37-12-14-39(15-13-37)31(42)29-17-26(22-38(29)2)35-32-33-18-24-16-28(41(30(24)36-32)27-10-6-7-11-27)25-19-34-40(21-25)20-23-8-4-3-5-9-23/h3-5,8-9,16-19,21-22,27H,6-7,10-15,20H2,1-2H3,(H,33,35,36)
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n/an/a 4n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50384170
PNG
(CHEMBL2029913)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4ccnn4C)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C26H33N9O/c1-31-10-12-34(13-11-31)25(36)23-15-19(17-32(23)2)29-26-27-16-18-14-22(21-8-9-28-33(21)3)35(24(18)30-26)20-6-4-5-7-20/h8-9,14-17,20H,4-7,10-13H2,1-3H3,(H,27,29,30)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50384173
PNG
(CHEMBL2029901)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C#N)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C23H28N8O/c1-28-7-9-30(10-8-28)22(32)20-12-17(15-29(20)2)26-23-25-14-16-11-19(13-24)31(21(16)27-23)18-5-3-4-6-18/h11-12,14-15,18H,3-10H2,1-2H3,(H,25,26,27)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50042865
PNG
(CHEMBL3354515)
Show SMILES Fc1cccc(F)c1-c1nc(cs1)C(=O)Nc1cnccc1OC1CCOCC1
Show InChI InChI=1S/C20H17F2N3O3S/c21-13-2-1-3-14(22)18(13)20-25-16(11-29-20)19(26)24-15-10-23-7-4-17(15)28-12-5-8-27-9-6-12/h1-4,7,10-12H,5-6,8-9H2,(H,24,26)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


Bioorg Med Chem Lett 25: 474-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.041
BindingDB Entry DOI: 10.7270/Q2VQ34BW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50042871
PNG
(CHEMBL3354521)
Show SMILES Fc1cccc(F)c1-c1cccc(n1)C(=O)Nc1cnccc1OC1CCNCC1
Show InChI InChI=1S/C22H20F2N4O2/c23-15-3-1-4-16(24)21(15)17-5-2-6-18(27-17)22(29)28-19-13-26-12-9-20(19)30-14-7-10-25-11-8-14/h1-6,9,12-14,25H,7-8,10-11H2,(H,28,29)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


Bioorg Med Chem Lett 25: 474-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.041
BindingDB Entry DOI: 10.7270/Q2VQ34BW
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50379497
PNG
(CHEMBL2012409)
Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CO |r|
Show InChI InChI=1S/C22H27N7O2/c1-27-11-16(8-19(27)21(31)28-4-2-3-17(28)12-30)25-22-23-9-15-10-24-29(20(15)26-22)18-6-13-5-14(13)7-18/h8-11,13-14,17-18,30H,2-7,12H2,1H3,(H,23,25,26)/t13-,14+,17-,18-/m0/s1
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50379499
PNG
(CHEMBL2012411)
Show SMILES COC[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
Show InChI InChI=1S/C23H29N7O2/c1-28-12-17(9-20(28)22(31)29-5-3-4-18(29)13-32-2)26-23-24-10-16-11-25-30(21(16)27-23)19-7-14-6-15(14)8-19/h9-12,14-15,18-19H,3-8,13H2,1-2H3,(H,24,26,27)/t14-,15+,18-,19-/m0/s1
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50352200
PNG
(CHEMBL1825100)
Show SMILES CS(=O)(=O)N(CCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
Show InChI InChI=1S/C20H27N7O3S/c1-31(29,30)26(10-11-28)18-9-8-16(14-21-18)24-20-22-12-15-13-23-27(19(15)25-20)17-6-4-2-3-5-7-17/h8-9,12-14,17,28H,2-7,10-11H2,1H3,(H,22,24,25)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B assessed as phosphorylation of Z-lyte Peptide at 0.017 to 30 nM by FRET assay


Bioorg Med Chem Lett 21: 5633-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.129
BindingDB Entry DOI: 10.7270/Q2HM58VW
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50379499
PNG
(CHEMBL2012411)
Show SMILES COC[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
Show InChI InChI=1S/C23H29N7O2/c1-28-12-17(9-20(28)22(31)29-5-3-4-18(29)13-32-2)26-23-24-10-16-11-25-30(21(16)27-23)19-7-14-6-15(14)8-19/h9-12,14-15,18-19H,3-8,13H2,1-2H3,(H,24,26,27)/t14-,15+,18-,19-/m0/s1
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50379508
PNG
(CHEMBL2012400)
Show SMILES Cn1cc(Nc2ncc3cnn(C4CCC5(CC5)CC4)c3n2)cc1C(N)=O
Show InChI InChI=1S/C19H23N7O/c1-25-11-13(8-15(25)16(20)27)23-18-21-9-12-10-22-26(17(12)24-18)14-2-4-19(5-3-14)6-7-19/h8-11,14H,2-7H2,1H3,(H2,20,27)(H,21,23,24)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50379491
PNG
(CHEMBL2012401)
Show SMILES Cn1cc(Nc2ncc3cnn(C4CCC(C)(C)CC4)c3n2)cc1C(N)=O
Show InChI InChI=1S/C19H25N7O/c1-19(2)6-4-14(5-7-19)26-17-12(10-22-26)9-21-18(24-17)23-13-8-15(16(20)27)25(3)11-13/h8-11,14H,4-7H2,1-3H3,(H2,20,27)(H,21,23,24)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50379498
PNG
(CHEMBL2012410)
Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCCC1 |r|
Show InChI InChI=1S/C26H34N8O/c1-31-15-20(12-23(31)25(35)33-8-4-5-21(33)16-32-6-2-3-7-32)29-26-27-13-19-14-28-34(24(19)30-26)22-10-17-9-18(17)11-22/h12-15,17-18,21-22H,2-11,16H2,1H3,(H,27,29,30)/t17-,18+,21-,22-/m0/s1
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50384167
PNG
(CHEMBL2029910)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cncn4C)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C26H33N9O/c1-31-8-10-34(11-9-31)25(36)22-13-19(16-32(22)2)29-26-28-14-18-12-21(23-15-27-17-33(23)3)35(24(18)30-26)20-6-4-5-7-20/h12-17,20H,4-11H2,1-3H3,(H,28,29,30)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50042861
PNG
(CHEMBL3354511)
Show SMILES Fc1cccc(F)c1-c1nc(cs1)C(=O)Nc1cnccc1O[C@H]1CCNC1 |r|
Show InChI InChI=1/C19H16F2N4O2S/c20-12-2-1-3-13(21)17(12)19-25-15(10-28-19)18(26)24-14-9-23-7-5-16(14)27-11-4-6-22-8-11/h1-3,5,7,9-11,22H,4,6,8H2,(H,24,26)/t11-/s2
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


Bioorg Med Chem Lett 25: 474-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.041
BindingDB Entry DOI: 10.7270/Q2VQ34BW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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