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PubMed code 23808327

Compile data set for download or QSAR
Found 29 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 B


(Homo sapiens (Human))
BDBM50436695
PNG
(CHEMBL2398642)
Show SMILES OC1CCN(CCOc2ccc(cc2)-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)CC1
Show InChI InChI=1S/C34H36N6O4/c41-28-15-18-40(19-16-28)20-21-43-29-12-8-25(9-13-29)31-22-30-32(36-23-37-33(30)44-31)35-17-14-24-6-10-27(11-7-24)39-34(42)38-26-4-2-1-3-5-26/h1-13,22-23,28,41H,14-21H2,(H,35,36,37)(H2,38,39,42)
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n/an/a 17n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase B (unknown origin)


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436696
PNG
(CHEMBL2398658)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
Show InChI InChI=1S/C33H36N6O3/c1-3-39(4-2)20-21-41-28-16-12-25(13-17-28)30-22-29-31(35-23-36-32(29)42-30)34-19-18-24-10-14-27(15-11-24)38-33(40)37-26-8-6-5-7-9-26/h5-17,22-23H,3-4,18-21H2,1-2H3,(H,34,35,36)(H2,37,38,40)
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n/an/a 18n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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n/an/a 20n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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n/an/a 20n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase A (unknown origin)


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM50436691
PNG
(CHEMBL2398657)
Show SMILES CN(C)CCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
Show InChI InChI=1S/C31H32N6O3/c1-37(2)18-19-39-26-14-10-23(11-15-26)28-20-27-29(33-21-34-30(27)40-28)32-17-16-22-8-12-25(13-9-22)36-31(38)35-24-6-4-3-5-7-24/h3-15,20-21H,16-19H2,1-2H3,(H,32,33,34)(H2,35,36,38)
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n/an/a 24n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase A (unknown origin)


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase B


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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n/an/a 30n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase B (unknown origin)


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436695
PNG
(CHEMBL2398642)
Show SMILES OC1CCN(CCOc2ccc(cc2)-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)CC1
Show InChI InChI=1S/C34H36N6O4/c41-28-15-18-40(19-16-28)20-21-43-29-12-8-25(9-13-29)31-22-30-32(36-23-37-33(30)44-31)35-17-14-24-6-10-27(11-7-24)39-34(42)38-26-4-2-1-3-5-26/h1-13,22-23,28,41H,14-21H2,(H,35,36,37)(H2,38,39,42)
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n/an/a 41n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase A (unknown origin)


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM50436694
PNG
(CHEMBL2398638)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(cc23)-c2ccc(OCCN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C34H36N6O3/c41-34(38-27-7-3-1-4-8-27)39-28-13-9-25(10-14-28)17-18-35-32-30-23-31(43-33(30)37-24-36-32)26-11-15-29(16-12-26)42-22-21-40-19-5-2-6-20-40/h1,3-4,7-16,23-24H,2,5-6,17-22H2,(H,35,36,37)(H2,38,39,41)
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n/an/a 49n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436693
PNG
(CHEMBL2398639)
Show SMILES CN1CCN(CCOc2ccc(cc2)-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)CC1
Show InChI InChI=1S/C34H37N7O3/c1-40-17-19-41(20-18-40)21-22-43-29-13-9-26(10-14-29)31-23-30-32(36-24-37-33(30)44-31)35-16-15-25-7-11-28(12-8-25)39-34(42)38-27-5-3-2-4-6-27/h2-14,23-24H,15-22H2,1H3,(H,35,36,37)(H2,38,39,42)
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n/an/a 49n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436692
PNG
(CHEMBL2398640)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(cc23)-c2ccc(OCCN3CCOCC3)cc2)cc1
Show InChI InChI=1S/C33H34N6O4/c40-33(37-26-4-2-1-3-5-26)38-27-10-6-24(7-11-27)14-15-34-31-29-22-30(43-32(29)36-23-35-31)25-8-12-28(13-9-25)42-21-18-39-16-19-41-20-17-39/h1-13,22-23H,14-21H2,(H,34,35,36)(H2,37,38,40)
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n/an/a 50n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50436691
PNG
(CHEMBL2398657)
Show SMILES CN(C)CCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
Show InChI InChI=1S/C31H32N6O3/c1-37(2)18-19-39-26-14-10-23(11-15-26)28-20-27-29(33-21-34-30(27)40-28)32-17-16-22-8-12-25(13-9-22)36-31(38)35-24-6-4-3-5-7-24/h3-15,20-21H,16-19H2,1-2H3,(H,32,33,34)(H2,35,36,38)
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n/an/a 53n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase B (unknown origin)


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436690
PNG
(CHEMBL2398643)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
Show InChI InChI=1S/C32H34N6O3/c1-38(2)19-6-20-40-27-15-11-24(12-16-27)29-21-28-30(34-22-35-31(28)41-29)33-18-17-23-9-13-26(14-10-23)37-32(39)36-25-7-4-3-5-8-25/h3-5,7-16,21-22H,6,17-20H2,1-2H3,(H,33,34,35)(H2,36,37,39)
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n/an/a 61n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436712
PNG
(CHEMBL2398644)
Show SMILES CN(C)CCOc1cccc(c1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
Show InChI InChI=1S/C31H32N6O3/c1-37(2)17-18-39-26-10-6-7-23(19-26)28-20-27-29(33-21-34-30(27)40-28)32-16-15-22-11-13-25(14-12-22)36-31(38)35-24-8-4-3-5-9-24/h3-14,19-21H,15-18H2,1-2H3,(H,32,33,34)(H2,35,36,38)
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n/an/a 80n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436711
PNG
(CHEMBL2398641)
Show SMILES CCN(CCO)CCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
Show InChI InChI=1S/C33H36N6O4/c1-2-39(18-20-40)19-21-42-28-14-10-25(11-15-28)30-22-29-31(35-23-36-32(29)43-30)34-17-16-24-8-12-27(13-9-24)38-33(41)37-26-6-4-3-5-7-26/h3-15,22-23,40H,2,16-21H2,1H3,(H,34,35,36)(H2,37,38,41)
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n/an/a 99n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436710
PNG
(CHEMBL2398660)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(cc23)-c2ccc(OCCN3CCCC3)cc2)cc1
Show InChI InChI=1S/C33H34N6O3/c40-33(37-26-6-2-1-3-7-26)38-27-12-8-24(9-13-27)16-17-34-31-29-22-30(42-32(29)36-23-35-31)25-10-14-28(15-11-25)41-21-20-39-18-4-5-19-39/h1-3,6-15,22-23H,4-5,16-21H2,(H,34,35,36)(H2,37,38,40)
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n/an/a 107n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436709
PNG
(CHEMBL2398654)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(-c5ccccc5)c34)-c3ccccc3)cc2)cc1
Show InChI InChI=1S/C33H26FN5O2/c34-25-13-17-27(18-14-25)39-33(40)38-26-15-11-22(12-16-26)19-20-35-31-29-28(23-7-3-1-4-8-23)30(24-9-5-2-6-10-24)41-32(29)37-21-36-31/h1-18,21H,19-20H2,(H,35,36,37)(H2,38,39,40)
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n/an/a 123n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436708
PNG
(CHEMBL2398659)
Show SMILES CCCCN(CCCC)CCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
Show InChI InChI=1S/C37H44N6O3/c1-3-5-22-43(23-6-4-2)24-25-45-32-18-14-29(15-19-32)34-26-33-35(39-27-40-36(33)46-34)38-21-20-28-12-16-31(17-13-28)42-37(44)41-30-10-8-7-9-11-30/h7-19,26-27H,3-6,20-25H2,1-2H3,(H,38,39,40)(H2,41,42,44)
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n/an/a 124n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436707
PNG
(CHEMBL2398655)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C27H23N5O2/c33-27(31-21-9-5-2-6-10-21)32-22-13-11-19(12-14-22)15-16-28-25-23-17-24(20-7-3-1-4-8-20)34-26(23)30-18-29-25/h1-14,17-18H,15-16H2,(H,28,29,30)(H2,31,32,33)
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n/an/a 140n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436706
PNG
(CHEMBL2398652)
Show SMILES O=C(NC1CCCCC1)Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C33H33N5O2/c39-33(37-26-14-8-3-9-15-26)38-27-18-16-23(17-19-27)20-21-34-31-29-28(24-10-4-1-5-11-24)30(25-12-6-2-7-13-25)40-32(29)36-22-35-31/h1-2,4-7,10-13,16-19,22,26H,3,8-9,14-15,20-21H2,(H,34,35,36)(H2,37,38,39)
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n/an/a 141n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436705
PNG
(CHEMBL2398649)
Show SMILES O=C(NCc1ccccc1)Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C34H29N5O2/c40-34(36-22-25-10-4-1-5-11-25)39-28-18-16-24(17-19-28)20-21-35-32-30-29(26-12-6-2-7-13-26)31(27-14-8-3-9-15-27)41-33(30)38-23-37-32/h1-19,23H,20-22H2,(H,35,37,38)(H2,36,39,40)
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n/an/a 160n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436704
PNG
(CHEMBL2398646)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(Nc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C31H23N5O2/c37-31(35-23-14-8-3-9-15-23)36-25-18-16-24(17-19-25)34-29-27-26(21-10-4-1-5-11-21)28(22-12-6-2-7-13-22)38-30(27)33-20-32-29/h1-20H,(H,32,33,34)(H2,35,36,37)
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n/an/a 201n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436703
PNG
(CHEMBL2398651)
Show SMILES CNC(=O)Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C28H25N5O2/c1-29-28(34)33-22-14-12-19(13-15-22)16-17-30-26-24-23(20-8-4-2-5-9-20)25(21-10-6-3-7-11-21)35-27(24)32-18-31-26/h2-15,18H,16-17H2,1H3,(H2,29,33,34)(H,30,31,32)
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n/an/a 203n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM14800
PNG
(2-(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-et...)
Show SMILES OCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C20H17N3O2/c24-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)23-13-22-19/h1-10,13,24H,11-12H2,(H,21,22,23)
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n/an/a 273n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase A (unknown origin)


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436702
PNG
(CHEMBL2398656)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3occ(-c4ccccc4)c23)cc1
Show InChI InChI=1S/C27H23N5O2/c33-27(31-21-9-5-2-6-10-21)32-22-13-11-19(12-14-22)15-16-28-25-24-23(20-7-3-1-4-8-20)17-34-26(24)30-18-29-25/h1-14,17-18H,15-16H2,(H,28,29,30)(H2,31,32,33)
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n/an/a 342n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436701
PNG
(CHEMBL2398653)
Show SMILES COc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(-c5ccccc5)c34)-c3ccccc3)cc2)cc1
Show InChI InChI=1S/C34H29N5O3/c1-41-28-18-16-27(17-19-28)39-34(40)38-26-14-12-23(13-15-26)20-21-35-32-30-29(24-8-4-2-5-9-24)31(25-10-6-3-7-11-25)42-33(30)37-22-36-32/h2-19,22H,20-21H2,1H3,(H,35,36,37)(H2,38,39,40)
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n/an/a 367n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436700
PNG
(CHEMBL2398647)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(CNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C32H25N5O2/c38-32(36-25-14-8-3-9-15-25)37-26-18-16-22(17-19-26)20-33-30-28-27(23-10-4-1-5-11-23)29(24-12-6-2-7-13-24)39-31(28)35-21-34-30/h1-19,21H,20H2,(H,33,34,35)(H2,36,37,38)
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n/an/a 852n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436699
PNG
(CHEMBL2398650)
Show SMILES NC(=O)Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C27H23N5O2/c28-27(33)32-21-13-11-18(12-14-21)15-16-29-25-23-22(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)34-26(23)31-17-30-25/h1-14,17H,15-16H2,(H3,28,32,33)(H,29,30,31)
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n/an/a 929n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436698
PNG
(CHEMBL2398645)
Show SMILES O=C(Nc1ccccc1)Nc1cccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)c1
Show InChI InChI=1S/C33H27N5O2/c39-33(37-26-16-8-3-9-17-26)38-27-18-10-11-23(21-27)19-20-34-31-29-28(24-12-4-1-5-13-24)30(25-14-6-2-7-15-25)40-32(29)36-22-35-31/h1-18,21-22H,19-20H2,(H,34,35,36)(H2,37,38,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50436697
PNG
(CHEMBL2398648)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(CCCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C34H29N5O2/c40-34(38-27-16-8-3-9-17-27)39-28-20-18-24(19-21-28)11-10-22-35-32-30-29(25-12-4-1-5-13-25)31(26-14-6-2-7-15-26)41-33(30)37-23-36-32/h1-9,12-21,23H,10-11,22H2,(H,35,36,37)(H2,38,39,40)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...


J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%