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Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'pasis' and Initial = 'a'   
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
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
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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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))
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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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))
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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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))
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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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))
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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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: 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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n/an/a 3n/an/an/an/an/an/a



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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n/an/a 3n/an/an/an/an/an/a



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
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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n/an/a 3n/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
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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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: 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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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: 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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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))
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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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
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
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
Aurora kinase A


(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 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 B


(Homo sapiens (Human))
BDBM50379502
PNG
(CHEMBL2012414)
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-/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
Cyclin-dependent kinase 1


(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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n/an/a 6n/an/an/an/an/an/a



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
Aurora kinase A


(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 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))
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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n/an/a 7.5n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 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
Cyclin-dependent kinase 1


(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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n/an/a 10n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


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))
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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n/an/a 10n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


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))
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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n/an/a 10n/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
Aurora kinase B


(Homo sapiens (Human))
BDBM50384175
PNG
(CHEMBL2029903)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C(N)=O)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C23H30N8O2/c1-28-7-9-30(10-8-28)22(33)19-12-16(14-29(19)2)26-23-25-13-15-11-18(20(24)32)31(21(15)27-23)17-5-3-4-6-17/h11-14,17H,3-10H2,1-2H3,(H2,24,32)(H,25,26,27)
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n/an/a 11n/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 A


(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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n/an/a 11n/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))
BDBM50384177
PNG
(CHEMBL2029905)
Show SMILES CC(O)c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
Show InChI InChI=1S/C24H33N7O2/c1-16(32)20-12-17-14-25-24(27-22(17)31(20)19-6-4-5-7-19)26-18-13-21(29(3)15-18)23(33)30-10-8-28(2)9-11-30/h12-16,19,32H,4-11H2,1-3H3,(H,25,26,27)
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n/an/a 11n/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 B


(Homo sapiens (Human))
BDBM50379507
PNG
(CHEMBL2012398)
Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O |r|
Show InChI InChI=1S/C19H23N7O/c1-25-10-13(7-16(25)17(20)27)23-19-21-8-12-9-22-26(18(12)24-19)15-6-5-11-3-2-4-14(11)15/h7-11,14-15H,2-6H2,1H3,(H2,20,27)(H,21,23,24)/t11-,14-,15+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



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))
BDBM50379489
PNG
(CHEMBL2012403)
Show SMILES Cn1cc(Nc2ncc3cnn([C@@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O |r|
Show InChI InChI=1S/C19H23N7O/c1-25-10-13(7-16(25)17(20)27)23-19-21-8-12-9-22-26(18(12)24-19)15-6-5-11-3-2-4-14(11)15/h7-11,14-15H,2-6H2,1H3,(H2,20,27)(H,21,23,24)/t11-,14-,15-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


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))
BDBM50379489
PNG
(CHEMBL2012403)
Show SMILES Cn1cc(Nc2ncc3cnn([C@@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O |r|
Show InChI InChI=1S/C19H23N7O/c1-25-10-13(7-16(25)17(20)27)23-19-21-8-12-9-22-26(18(12)24-19)15-6-5-11-3-2-4-14(11)15/h7-11,14-15H,2-6H2,1H3,(H2,20,27)(H,21,23,24)/t11-,14-,15-/m1/s1
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n/an/a 13n/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
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50379490
PNG
(CHEMBL2012399)
Show SMILES Cn1cc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1C(N)=O
Show InChI InChI=1S/C18H23N7O/c1-24-11-13(8-15(24)16(19)26)22-18-20-9-12-10-21-25(17(12)23-18)14-6-4-2-3-5-7-14/h8-11,14H,2-7H2,1H3,(H2,19,26)(H,20,22,23)
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n/an/a 15n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


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))
BDBM50379507
PNG
(CHEMBL2012398)
Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O |r|
Show InChI InChI=1S/C19H23N7O/c1-25-10-13(7-16(25)17(20)27)23-19-21-8-12-9-22-26(18(12)24-19)15-6-5-11-3-2-4-14(11)15/h7-11,14-15H,2-6H2,1H3,(H2,20,27)(H,21,23,24)/t11-,14-,15+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


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))
BDBM50379502
PNG
(CHEMBL2012414)
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-/m1/s1
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n/an/a 16n/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
Aurora kinase A


(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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n/an/a 17n/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
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