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PubMed code 25270403

Compile data set for download or QSAR
Found 44 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
Aurora kinase A


(Homo sapiens (human))
BDBM50029422
PNG
(CHEMBL3343311)
Show SMILES CC1CCCCN1CCCOc1ccc2c(Nc3ccc(NC(=O)NCc4ccccc4)cc3)ncnc2c1
Show InChI InChI=1S/C31H36N6O2/c1-23-8-5-6-17-37(23)18-7-19-39-27-15-16-28-29(20-27)33-22-34-30(28)35-25-11-13-26(14-12-25)36-31(38)32-21-24-9-3-2-4-10-24/h2-4,9-16,20,22-23H,5-8,17-19,21H2,1H3,(H2,32,36,38)(H,33,34,35)
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n/an/a 61n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029416
PNG
(CHEMBL3343310)
Show SMILES O=C(NCc1ccccc1)Nc1ccc(Nc2ncnc3cc(OCCCN4CCCCC4)ccc23)cc1
Show InChI InChI=1S/C30H34N6O2/c37-30(31-21-23-8-3-1-4-9-23)35-25-12-10-24(11-13-25)34-29-27-15-14-26(20-28(27)32-22-33-29)38-19-7-18-36-16-5-2-6-17-36/h1,3-4,8-15,20,22H,2,5-7,16-19,21H2,(H2,31,35,37)(H,32,33,34)
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n/an/a 78n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029449
PNG
(CHEMBL3343321)
Show SMILES CC1CCCCN1CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1
Show InChI InChI=1S/C30H42N6O2/c1-22-8-5-6-17-36(22)18-7-19-38-26-15-16-27-28(20-26)31-21-32-29(27)33-24-11-13-25(14-12-24)35-30(37)34-23-9-3-2-4-10-23/h11-16,20-23,27-28H,2-10,17-19H2,1H3,(H,31,32,33)(H2,34,35,37)
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n/an/a 82n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029447
PNG
(CHEMBL3343320)
Show SMILES O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCCC4)C=CC23)cc1
Show InChI InChI=1S/C29H40N6O2/c36-29(33-22-8-3-1-4-9-22)34-24-12-10-23(11-13-24)32-28-26-15-14-25(20-27(26)30-21-31-28)37-19-7-18-35-16-5-2-6-17-35/h10-15,20-22,26-27H,1-9,16-19H2,(H,30,31,32)(H2,33,34,36)
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n/an/a 103n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029459
PNG
(CHEMBL3343420)
Show SMILES COC1=CC2C(C=C1OCCCN1CCOCC1)N=CN=C2Nc1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C29H33N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20,24-25H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)
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n/an/a 110n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin)


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029454
PNG
(CHEMBL3343418)
Show SMILES O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCC4)C=CC23)cc1
Show InChI InChI=1S/C28H38N6O2/c35-28(32-21-7-2-1-3-8-21)33-23-11-9-22(10-12-23)31-27-25-14-13-24(19-26(25)29-20-30-27)36-18-6-17-34-15-4-5-16-34/h9-14,19-21,25-26H,1-8,15-18H2,(H,29,30,31)(H2,32,33,35)
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n/an/a 115n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029455
PNG
(CHEMBL3343419)
Show SMILES CCN(CC)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1
Show InChI InChI=1S/C28H40N6O2/c1-3-34(4-2)17-8-18-36-24-15-16-25-26(19-24)29-20-30-27(25)31-22-11-13-23(14-12-22)33-28(35)32-21-9-6-5-7-10-21/h11-16,19-21,25-26H,3-10,17-18H2,1-2H3,(H,29,30,31)(H2,32,33,35)
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n/an/a 123n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029429
PNG
(CHEMBL3343313)
Show SMILES CCN(CC)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NCc4ccccc4)cc3)C2C=C1
Show InChI InChI=1S/C29H36N6O2/c1-3-35(4-2)17-8-18-37-25-15-16-26-27(19-25)31-21-32-28(26)33-23-11-13-24(14-12-23)34-29(36)30-20-22-9-6-5-7-10-22/h5-7,9-16,19,21,26-27H,3-4,8,17-18,20H2,1-2H3,(H2,30,34,36)(H,31,32,33)
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n/an/a 128n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029459
PNG
(CHEMBL3343420)
Show SMILES COC1=CC2C(C=C1OCCCN1CCOCC1)N=CN=C2Nc1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C29H33N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20,24-25H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)
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n/an/a 130n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin)


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029459
PNG
(CHEMBL3343420)
Show SMILES COC1=CC2C(C=C1OCCCN1CCOCC1)N=CN=C2Nc1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C29H33N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20,24-25H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)
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n/an/a 138n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029425
PNG
(CHEMBL3343314)
Show SMILES O=C(NCc1ccccc1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCC4)C=CC23)cc1
Show InChI InChI=1S/C29H34N6O2/c36-29(30-20-22-7-2-1-3-8-22)34-24-11-9-23(10-12-24)33-28-26-14-13-25(19-27(26)31-21-32-28)37-18-6-17-35-15-4-5-16-35/h1-3,7-14,19,21,26-27H,4-6,15-18,20H2,(H2,30,34,36)(H,31,32,33)
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n/an/a 143n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029459
PNG
(CHEMBL3343420)
Show SMILES COC1=CC2C(C=C1OCCCN1CCOCC1)N=CN=C2Nc1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C29H33N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20,24-25H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)
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n/an/a 156n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029453
PNG
(CHEMBL3343417)
Show SMILES CC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1
Show InChI InChI=1S/C30H42N6O2/c1-22-14-17-36(18-15-22)16-5-19-38-26-12-13-27-28(20-26)31-21-32-29(27)33-24-8-10-25(11-9-24)35-30(37)34-23-6-3-2-4-7-23/h8-13,20-23,27-28H,2-7,14-19H2,1H3,(H,31,32,33)(H2,34,35,37)
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n/an/a 157n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029422
PNG
(CHEMBL3343311)
Show SMILES CC1CCCCN1CCCOc1ccc2c(Nc3ccc(NC(=O)NCc4ccccc4)cc3)ncnc2c1
Show InChI InChI=1S/C31H36N6O2/c1-23-8-5-6-17-37(23)18-7-19-39-27-15-16-28-29(20-27)33-22-34-30(28)35-25-11-13-26(14-12-25)36-31(38)32-21-24-9-3-2-4-10-24/h2-4,9-16,20,22-23H,5-8,17-19,21H2,1H3,(H2,32,36,38)(H,33,34,35)
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n/an/a 172n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029455
PNG
(CHEMBL3343419)
Show SMILES CCN(CC)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1
Show InChI InChI=1S/C28H40N6O2/c1-3-34(4-2)17-8-18-36-24-15-16-25-26(19-24)29-20-30-27(25)31-22-11-13-23(14-12-22)33-28(35)32-21-9-6-5-7-10-21/h11-16,19-21,25-26H,3-10,17-18H2,1-2H3,(H,29,30,31)(H2,32,33,35)
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n/an/a 176n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029454
PNG
(CHEMBL3343418)
Show SMILES O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCC4)C=CC23)cc1
Show InChI InChI=1S/C28H38N6O2/c35-28(32-21-7-2-1-3-8-21)33-23-11-9-22(10-12-23)31-27-25-14-13-24(19-26(25)29-20-30-27)36-18-6-17-34-15-4-5-16-34/h9-14,19-21,25-26H,1-8,15-18H2,(H,29,30,31)(H2,32,33,35)
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n/an/a 181n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029444
PNG
(CHEMBL3343318)
Show SMILES O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCOCC4)C=CC23)cc1
Show InChI InChI=1S/C28H38N6O3/c35-28(32-21-5-2-1-3-6-21)33-23-9-7-22(8-10-23)31-27-25-12-11-24(19-26(25)29-20-30-27)37-16-4-13-34-14-17-36-18-15-34/h7-12,19-21,25-26H,1-6,13-18H2,(H,29,30,31)(H2,32,33,35)
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n/an/a 193n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029416
PNG
(CHEMBL3343310)
Show SMILES O=C(NCc1ccccc1)Nc1ccc(Nc2ncnc3cc(OCCCN4CCCCC4)ccc23)cc1
Show InChI InChI=1S/C30H34N6O2/c37-30(31-21-23-8-3-1-4-9-23)35-25-12-10-24(11-13-25)34-29-27-15-14-26(20-28(27)32-22-33-29)38-19-7-18-36-16-5-2-6-17-36/h1,3-4,8-15,20,22H,2,5-7,16-19,21H2,(H2,31,35,37)(H,32,33,34)
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n/an/a 193n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029367
PNG
(CHEMBL3343309)
Show SMILES CN1CCN(CCCOc2ccc3c(Nc4ccc(NC(=O)NCc5ccccc5)cc4)ncnc3c2)CC1
Show InChI InChI=1S/C30H35N7O2/c1-36-15-17-37(18-16-36)14-5-19-39-26-12-13-27-28(20-26)32-22-33-29(27)34-24-8-10-25(11-9-24)35-30(38)31-21-23-6-3-2-4-7-23/h2-4,6-13,20,22H,5,14-19,21H2,1H3,(H2,31,35,38)(H,32,33,34)
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n/an/a 195n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029429
PNG
(CHEMBL3343313)
Show SMILES CCN(CC)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NCc4ccccc4)cc3)C2C=C1
Show InChI InChI=1S/C29H36N6O2/c1-3-35(4-2)17-8-18-37-25-15-16-26-27(19-25)31-21-32-28(26)33-23-11-13-24(14-12-23)34-29(36)30-20-22-9-6-5-7-10-22/h5-7,9-16,19,21,26-27H,3-4,8,17-18,20H2,1-2H3,(H2,30,34,36)(H,31,32,33)
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n/an/a 196n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029449
PNG
(CHEMBL3343321)
Show SMILES CC1CCCCN1CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1
Show InChI InChI=1S/C30H42N6O2/c1-22-8-5-6-17-36(22)18-7-19-38-26-15-16-27-28(20-26)31-21-32-29(27)33-24-11-13-25(14-12-24)35-30(37)34-23-9-3-2-4-10-23/h11-16,20-23,27-28H,2-10,17-19H2,1H3,(H,31,32,33)(H2,34,35,37)
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n/an/a 197n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029446
PNG
(CHEMBL3343319)
Show SMILES CN1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1
Show InChI InChI=1S/C29H41N7O2/c1-35-15-17-36(18-16-35)14-5-19-38-25-12-13-26-27(20-25)30-21-31-28(26)32-23-8-10-24(11-9-23)34-29(37)33-22-6-3-2-4-7-22/h8-13,20-22,26-27H,2-7,14-19H2,1H3,(H,30,31,32)(H2,33,34,37)
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n/an/a 202n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029356
PNG
(CHEMBL3343308)
Show SMILES O=C(NCc1ccccc1)Nc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cc1
Show InChI InChI=1S/C29H32N6O3/c36-29(30-20-22-5-2-1-3-6-22)34-24-9-7-23(8-10-24)33-28-26-12-11-25(19-27(26)31-21-32-28)38-16-4-13-35-14-17-37-18-15-35/h1-3,5-12,19,21H,4,13-18,20H2,(H2,30,34,36)(H,31,32,33)
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n/an/a 212n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029423
PNG
(CHEMBL3343312)
Show SMILES CC1CCN(CCCOc2ccc3c(Nc4ccc(NC(=O)NCc5ccccc5)cc4)ncnc3c2)CC1
Show InChI InChI=1S/C31H36N6O2/c1-23-14-17-37(18-15-23)16-5-19-39-27-12-13-28-29(20-27)33-22-34-30(28)35-25-8-10-26(11-9-25)36-31(38)32-21-24-6-3-2-4-7-24/h2-4,6-13,20,22-23H,5,14-19,21H2,1H3,(H2,32,36,38)(H,33,34,35)
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n/an/a 219n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029447
PNG
(CHEMBL3343320)
Show SMILES O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCCC4)C=CC23)cc1
Show InChI InChI=1S/C29H40N6O2/c36-29(33-22-8-3-1-4-9-22)34-24-12-10-23(11-13-24)32-28-26-15-14-25(20-27(26)30-21-31-28)37-19-7-18-35-16-5-2-6-17-35/h10-15,20-22,26-27H,1-9,16-19H2,(H,30,31,32)(H2,33,34,36)
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n/an/a 221n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029453
PNG
(CHEMBL3343417)
Show SMILES CC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1
Show InChI InChI=1S/C30H42N6O2/c1-22-14-17-36(18-15-22)16-5-19-38-26-12-13-27-28(20-26)31-21-32-29(27)33-24-8-10-25(11-9-24)35-30(37)34-23-6-3-2-4-7-23/h8-13,20-23,27-28H,2-7,14-19H2,1H3,(H,31,32,33)(H2,34,35,37)
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n/an/a 232n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029444
PNG
(CHEMBL3343318)
Show SMILES O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCOCC4)C=CC23)cc1
Show InChI InChI=1S/C28H38N6O3/c35-28(32-21-5-2-1-3-6-21)33-23-9-7-22(8-10-23)31-27-25-12-11-24(19-26(25)29-20-30-27)37-16-4-13-34-14-17-36-18-15-34/h7-12,19-21,25-26H,1-6,13-18H2,(H,29,30,31)(H2,32,33,35)
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n/an/a 264n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029425
PNG
(CHEMBL3343314)
Show SMILES O=C(NCc1ccccc1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCC4)C=CC23)cc1
Show InChI InChI=1S/C29H34N6O2/c36-29(30-20-22-7-2-1-3-8-22)34-24-11-9-23(10-12-24)33-28-26-14-13-25(19-27(26)31-21-32-28)37-18-6-17-35-15-4-5-16-35/h1-3,7-14,19,21,26-27H,4-6,15-18,20H2,(H2,30,34,36)(H,31,32,33)
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n/an/a 278n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029367
PNG
(CHEMBL3343309)
Show SMILES CN1CCN(CCCOc2ccc3c(Nc4ccc(NC(=O)NCc5ccccc5)cc4)ncnc3c2)CC1
Show InChI InChI=1S/C30H35N7O2/c1-36-15-17-37(18-16-36)14-5-19-39-26-12-13-27-28(20-26)32-22-33-29(27)34-24-8-10-25(11-9-24)35-30(38)31-21-23-6-3-2-4-7-23/h2-4,6-13,20,22H,5,14-19,21H2,1H3,(H2,31,35,38)(H,32,33,34)
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n/an/a 289n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029423
PNG
(CHEMBL3343312)
Show SMILES CC1CCN(CCCOc2ccc3c(Nc4ccc(NC(=O)NCc5ccccc5)cc4)ncnc3c2)CC1
Show InChI InChI=1S/C31H36N6O2/c1-23-14-17-37(18-15-23)16-5-19-39-27-12-13-28-29(20-27)33-22-34-30(28)35-25-8-10-26(11-9-25)36-31(38)32-21-24-6-3-2-4-7-24/h2-4,6-13,20,22-23H,5,14-19,21H2,1H3,(H2,32,36,38)(H,33,34,35)
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n/an/a 292n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029456
PNG
(CHEMBL3343421)
Show SMILES CCN(CCO)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1
Show InChI InChI=1S/C28H40N6O3/c1-2-34(16-17-35)15-6-18-37-24-13-14-25-26(19-24)29-20-30-27(25)31-22-9-11-23(12-10-22)33-28(36)32-21-7-4-3-5-8-21/h9-14,19-21,25-26,35H,2-8,15-18H2,1H3,(H,29,30,31)(H2,32,33,36)
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n/an/a 312n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029446
PNG
(CHEMBL3343319)
Show SMILES CN1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1
Show InChI InChI=1S/C29H41N7O2/c1-35-15-17-36(18-16-35)14-5-19-38-25-12-13-26-27(20-25)30-21-31-28(26)32-23-8-10-24(11-9-23)34-29(37)33-22-6-3-2-4-7-22/h8-13,20-22,26-27H,2-7,14-19H2,1H3,(H,30,31,32)(H2,33,34,37)
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n/an/a 318n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029356
PNG
(CHEMBL3343308)
Show SMILES O=C(NCc1ccccc1)Nc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cc1
Show InChI InChI=1S/C29H32N6O3/c36-29(30-20-22-5-2-1-3-6-22)34-24-9-7-23(8-10-24)33-28-26-12-11-25(19-27(26)31-21-32-28)38-16-4-13-35-14-17-37-18-15-35/h1-3,5-12,19,21H,4,13-18,20H2,(H2,30,34,36)(H,31,32,33)
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n/an/a 367n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029456
PNG
(CHEMBL3343421)
Show SMILES CCN(CCO)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1
Show InChI InChI=1S/C28H40N6O3/c1-2-34(16-17-35)15-6-18-37-24-13-14-25-26(19-24)29-20-30-27(25)31-22-9-11-23(12-10-22)33-28(36)32-21-7-4-3-5-8-21/h9-14,19-21,25-26,35H,2-8,15-18H2,1H3,(H,29,30,31)(H2,32,33,36)
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n/an/a 387n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029457
PNG
(CHEMBL3343422)
Show SMILES OCCN1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1
Show InChI InChI=1S/C30H43N7O3/c38-19-18-37-16-14-36(15-17-37)13-4-20-40-26-11-12-27-28(21-26)31-22-32-29(27)33-24-7-9-25(10-8-24)35-30(39)34-23-5-2-1-3-6-23/h7-12,21-23,27-28,38H,1-6,13-20H2,(H,31,32,33)(H2,34,35,39)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029432
PNG
(CHEMBL3343315)
Show SMILES CCN(CCO)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NCc4ccccc4)cc3)C2C=C1
Show InChI InChI=1S/C29H36N6O3/c1-2-35(16-17-36)15-6-18-38-25-13-14-26-27(19-25)31-21-32-28(26)33-23-9-11-24(12-10-23)34-29(37)30-20-22-7-4-3-5-8-22/h3-5,7-14,19,21,26-27,36H,2,6,15-18,20H2,1H3,(H2,30,34,37)(H,31,32,33)
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n/an/a 468n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029437
PNG
(CHEMBL3343316)
Show SMILES OCCN1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NCc5ccccc5)cc4)C3C=C2)CC1
Show InChI InChI=1S/C31H39N7O3/c39-19-18-38-16-14-37(15-17-38)13-4-20-41-27-11-12-28-29(21-27)33-23-34-30(28)35-25-7-9-26(10-8-25)36-31(40)32-22-24-5-2-1-3-6-24/h1-3,5-12,21,23,28-29,39H,4,13-20,22H2,(H2,32,36,40)(H,33,34,35)
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n/an/a 496n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029439
PNG
(CHEMBL3343317)
Show SMILES OCC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NCc5ccccc5)cc4)C3C=C2)CC1
Show InChI InChI=1S/C31H38N6O3/c38-21-24-13-16-37(17-14-24)15-4-18-40-27-11-12-28-29(19-27)33-22-34-30(28)35-25-7-9-26(10-8-25)36-31(39)32-20-23-5-2-1-3-6-23/h1-3,5-12,19,22,24,28-29,38H,4,13-18,20-21H2,(H2,32,36,39)(H,33,34,35)
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n/an/a 564n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029432
PNG
(CHEMBL3343315)
Show SMILES CCN(CCO)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NCc4ccccc4)cc3)C2C=C1
Show InChI InChI=1S/C29H36N6O3/c1-2-35(16-17-36)15-6-18-38-25-13-14-26-27(19-25)31-21-32-28(26)33-23-9-11-24(12-10-23)34-29(37)30-20-22-7-4-3-5-8-22/h3-5,7-14,19,21,26-27,36H,2,6,15-18,20H2,1H3,(H2,30,34,37)(H,31,32,33)
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n/an/a 573n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029457
PNG
(CHEMBL3343422)
Show SMILES OCCN1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1
Show InChI InChI=1S/C30H43N7O3/c38-19-18-37-16-14-36(15-17-37)13-4-20-40-26-11-12-27-28(21-26)31-22-32-29(27)33-24-7-9-25(10-8-24)35-30(39)34-23-5-2-1-3-6-23/h7-12,21-23,27-28,38H,1-6,13-20H2,(H,31,32,33)(H2,34,35,39)
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n/an/a 589n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029437
PNG
(CHEMBL3343316)
Show SMILES OCCN1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NCc5ccccc5)cc4)C3C=C2)CC1
Show InChI InChI=1S/C31H39N7O3/c39-19-18-38-16-14-37(15-17-38)13-4-20-41-27-11-12-28-29(21-27)33-23-34-30(28)35-25-7-9-26(10-8-25)36-31(40)32-22-24-5-2-1-3-6-24/h1-3,5-12,21,23,28-29,39H,4,13-20,22H2,(H2,32,36,40)(H,33,34,35)
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n/an/a 621n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029439
PNG
(CHEMBL3343317)
Show SMILES OCC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NCc5ccccc5)cc4)C3C=C2)CC1
Show InChI InChI=1S/C31H38N6O3/c38-21-24-13-16-37(17-14-24)15-4-18-40-27-11-12-28-29(19-27)33-22-34-30(28)35-25-7-9-26(10-8-25)36-31(39)32-20-23-5-2-1-3-6-23/h1-3,5-12,19,22,24,28-29,38H,4,13-18,20-21H2,(H2,32,36,39)(H,33,34,35)
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n/an/a 783n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50029458
PNG
(CHEMBL3343423)
Show SMILES OCC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1
Show InChI InChI=1S/C30H42N6O3/c37-20-22-13-16-36(17-14-22)15-4-18-39-26-11-12-27-28(19-26)31-21-32-29(27)33-24-7-9-25(10-8-24)35-30(38)34-23-5-2-1-3-6-23/h7-12,19,21-23,27-28,37H,1-6,13-18,20H2,(H,31,32,33)(H2,34,35,38)
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n/an/a 796n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50029458
PNG
(CHEMBL3343423)
Show SMILES OCC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1
Show InChI InChI=1S/C30H42N6O3/c37-20-22-13-16-36(17-14-22)15-4-18-39-26-11-12-27-28(19-26)31-21-32-29(27)33-24-7-9-25(10-8-24)35-30(38)34-23-5-2-1-3-6-23/h7-12,19,21-23,27-28,37H,1-6,13-18,20H2,(H,31,32,33)(H2,34,35,38)
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n/an/a 845n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay


Bioorg Med Chem 22: 5813-23 (2014)


Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%