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58 similar compounds to monomer 50352311

Compile data set for download or QSAR
Wt: 574.6
BDBM50352318
Wt: 574.6
BDBM50352319
Wt: 574.6
BDBM50352320
Wt: 549.6
BDBM50352321
Wt: 548.6
BDBM50352322
Wt: 534.6
BDBM50352323
Wt: 522.6
BDBM50352324
Wt: 538.6
BDBM50352325
Wt: 550.6
BDBM50352326
Wt: 590.6
BDBM50352327
Wt: 482.5
BDBM50352328
Wt: 536.6
BDBM50352329
Wt: 493.5
BDBM50352330
Wt: 494.5
BDBM50352331
Wt: 566.7
BDBM50352332
Displayed 1 to 15 (of 58 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 48 hits for monomerid = 50352318,50352319,50352320,50352321,50352322,50352323,50352324,50352325,50352326,50352327,50352328,50352329,50352330,50352331,50352332   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase B


(Homo sapiens (Human))
BDBM50352320
PNG
(CHEMBL1822656)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccccc4F)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-21-6-4-12-37(21)35-28(32-27)41-19-10-8-18(9-11-19)30-26(39)16-36-14-22(38)24(15-36)40-23-7-3-2-5-20(23)29/h2-13,22,24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t22-,24-/m0/s1
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n/an/an/a 9n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora B kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50352318
PNG
(CHEMBL1822658)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-22-3-2-12-37(22)35-28(32-27)41-21-10-6-19(7-11-21)30-26(39)16-36-14-23(38)24(15-36)40-20-8-4-18(29)5-9-20/h2-13,23-24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t23-,24-/m0/s1
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n/an/an/a 15n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase A autophosphorylation in human HEK293 cells after 2 hrs by phosphor antibody readout assay


J Med Chem 55: 3250-60 (2012)


Article DOI: 10.1021/jm201702g
BindingDB Entry DOI: 10.7270/Q2W0971F
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352321
PNG
(CHEMBL1822655)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](OC(C)(C)C)C(C4)N=O)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C26H31N9O3S/c1-16-12-22(31-30-16)28-24-20-6-5-11-35(20)32-25(29-24)39-18-9-7-17(8-10-18)27-23(36)15-34-13-19(33-37)21(14-34)38-26(2,3)4/h5-12,19,21H,13-15H2,1-4H3,(H,27,36)(H2,28,29,30,31,32)/t19?,21-/m0/s1
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n/an/an/a 5n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora B kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352324
PNG
(CHEMBL1822652)
Show SMILES CC(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O
Show InChI InChI=1S/C25H30N8O3S/c1-15(2)36-21-13-32(12-20(21)34)14-23(35)26-17-6-8-18(9-7-17)37-25-28-24(19-5-4-10-33(19)31-25)27-22-11-16(3)29-30-22/h4-11,15,20-21,34H,12-14H2,1-3H3,(H,26,35)(H2,27,28,29,30,31)/t20-,21-/m0/s1
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n/an/an/a 4n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora B kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352323
PNG
(CHEMBL1822653)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OCC4CC4)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C26H30N8O3S/c1-16-11-23(31-30-16)28-25-20-3-2-10-34(20)32-26(29-25)38-19-8-6-18(7-9-19)27-24(36)14-33-12-21(35)22(13-33)37-15-17-4-5-17/h2-3,6-11,17,21-22,35H,4-5,12-15H2,1H3,(H,27,36)(H2,28,29,30,31,32)/t21-,22-/m0/s1
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n/an/an/a 2n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora B kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352326
PNG
(CHEMBL1822650)
Show SMILES CCC(C)(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O
Show InChI InChI=1S/C27H34N8O3S/c1-5-27(3,4)38-22-15-34(14-21(22)36)16-24(37)28-18-8-10-19(11-9-18)39-26-30-25(20-7-6-12-35(20)33-26)29-23-13-17(2)31-32-23/h6-13,21-22,36H,5,14-16H2,1-4H3,(H,28,37)(H2,29,30,31,32,33)/t21-,22-/m0/s1
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n/an/an/a 4n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora B kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352325
PNG
(CHEMBL1822651)
Show SMILES COCCO[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O
Show InChI InChI=1S/C25H30N8O4S/c1-16-12-22(30-29-16)27-24-19-4-3-9-33(19)31-25(28-24)38-18-7-5-17(6-8-18)26-23(35)15-32-13-20(34)21(14-32)37-11-10-36-2/h3-9,12,20-21,34H,10-11,13-15H2,1-2H3,(H,26,35)(H2,27,28,29,30,31)/t20-,21-/m0/s1
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n/an/an/a 2n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora B kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352328
PNG
(CHEMBL1822648)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@@H](F)C4)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C22H23FN8O2S/c1-13-9-19(28-27-13)25-21-17-3-2-8-31(17)29-22(26-21)34-15-6-4-14(5-7-15)24-20(33)12-30-10-16(23)18(32)11-30/h2-9,16,18,32H,10-12H2,1H3,(H,24,33)(H2,25,26,27,28,29)/t16-,18-/m0/s1
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n/an/an/a 1n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora B kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352327
PNG
(CHEMBL1822649)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC(C)(C)C(F)(F)F)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C26H29F3N8O3S/c1-15-11-21(34-33-15)31-23-18-5-4-10-37(18)35-24(32-23)41-17-8-6-16(7-9-17)30-22(39)14-36-12-19(38)20(13-36)40-25(2,3)26(27,28)29/h4-11,19-20,38H,12-14H2,1-3H3,(H,30,39)(H2,31,32,33,34,35)/t19-,20-/m0/s1
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n/an/an/a 4n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora B kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352324
PNG
(CHEMBL1822652)
Show SMILES CC(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O
Show InChI InChI=1S/C25H30N8O3S/c1-15(2)36-21-13-32(12-20(21)34)14-23(35)26-17-6-8-18(9-7-17)37-25-28-24(19-5-4-10-33(19)31-25)27-22-11-16(3)29-30-22/h4-11,15,20-21,34H,12-14H2,1-3H3,(H,26,35)(H2,27,28,29,30,31)/t20-,21-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352319
PNG
(CHEMBL1822657)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4cccc(F)c4)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C28H27FN8O3S/c1-17-12-25(34-33-17)31-27-22-6-3-11-37(22)35-28(32-27)41-21-9-7-19(8-10-21)30-26(39)16-36-14-23(38)24(15-36)40-20-5-2-4-18(29)13-20/h2-13,23-24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t23-,24-/m0/s1
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n/an/an/a 10n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora B kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352323
PNG
(CHEMBL1822653)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OCC4CC4)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C26H30N8O3S/c1-16-11-23(31-30-16)28-25-20-3-2-10-34(20)32-26(29-25)38-19-8-6-18(7-9-19)27-24(36)14-33-12-21(35)22(13-33)37-15-17-4-5-17/h2-3,6-11,17,21-22,35H,4-5,12-15H2,1H3,(H,27,36)(H2,28,29,30,31,32)/t21-,22-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352318
PNG
(CHEMBL1822658)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-22-3-2-12-37(22)35-28(32-27)41-21-10-6-19(7-11-21)30-26(39)16-36-14-23(38)24(15-36)40-20-8-4-18(29)5-9-20/h2-13,23-24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t23-,24-/m0/s1
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n/an/an/a 8n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora B kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352326
PNG
(CHEMBL1822650)
Show SMILES CCC(C)(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O
Show InChI InChI=1S/C27H34N8O3S/c1-5-27(3,4)38-22-15-34(14-21(22)36)16-24(37)28-18-8-10-19(11-9-18)39-26-30-25(20-7-6-12-35(20)33-26)29-23-13-17(2)31-32-23/h6-13,21-22,36H,5,14-16H2,1-4H3,(H,28,37)(H2,29,30,31,32,33)/t21-,22-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352325
PNG
(CHEMBL1822651)
Show SMILES COCCO[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O
Show InChI InChI=1S/C25H30N8O4S/c1-16-12-22(30-29-16)27-24-19-4-3-9-33(19)31-25(28-24)38-18-7-5-17(6-8-18)26-23(35)15-32-13-20(34)21(14-32)37-11-10-36-2/h3-9,12,20-21,34H,10-11,13-15H2,1-2H3,(H,26,35)(H2,27,28,29,30,31)/t20-,21-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352328
PNG
(CHEMBL1822648)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@@H](F)C4)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C22H23FN8O2S/c1-13-9-19(28-27-13)25-21-17-3-2-8-31(17)29-22(26-21)34-15-6-4-14(5-7-15)24-20(33)12-30-10-16(23)18(32)11-30/h2-9,16,18,32H,10-12H2,1H3,(H,24,33)(H2,25,26,27,28,29)/t16-,18-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352327
PNG
(CHEMBL1822649)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC(C)(C)C(F)(F)F)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C26H29F3N8O3S/c1-15-11-21(34-33-15)31-23-18-5-4-10-37(18)35-24(32-23)41-17-8-6-16(7-9-17)30-22(39)14-36-12-19(38)20(13-36)40-25(2,3)26(27,28)29/h4-11,19-20,38H,12-14H2,1-3H3,(H,30,39)(H2,31,32,33,34,35)/t19-,20-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352329
PNG
(CHEMBL1822647)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC(C)(C)C)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C26H32N8O3S/c1-16-12-22(31-30-16)28-24-19-6-5-11-34(19)32-25(29-24)38-18-9-7-17(8-10-18)27-23(36)15-33-13-20(35)21(14-33)37-26(2,3)4/h5-12,20-21,35H,13-15H2,1-4H3,(H,27,36)(H2,28,29,30,31,32)/t20-,21-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352320
PNG
(CHEMBL1822656)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccccc4F)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-21-6-4-12-37(21)35-28(32-27)41-19-10-8-18(9-11-19)30-26(39)16-36-14-22(38)24(15-36)40-23-7-3-2-5-20(23)29/h2-13,22,24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t22-,24-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352322
PNG
(CHEMBL1822654)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC4CCCC4)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C27H32N8O3S/c1-17-13-24(32-31-17)29-26-21-7-4-12-35(21)33-27(30-26)39-20-10-8-18(9-11-20)28-25(37)16-34-14-22(36)23(15-34)38-19-5-2-3-6-19/h4,7-13,19,22-23,36H,2-3,5-6,14-16H2,1H3,(H,28,37)(H2,29,30,31,32,33)/t22-,23-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352321
PNG
(CHEMBL1822655)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](OC(C)(C)C)C(C4)N=O)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C26H31N9O3S/c1-16-12-22(31-30-16)28-24-20-6-5-11-35(20)32-25(29-24)39-18-9-7-17(8-10-18)27-23(36)15-34-13-19(33-37)21(14-34)38-26(2,3)4/h5-12,19,21H,13-15H2,1-4H3,(H,27,36)(H2,28,29,30,31,32)/t19?,21-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352319
PNG
(CHEMBL1822657)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4cccc(F)c4)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C28H27FN8O3S/c1-17-12-25(34-33-17)31-27-22-6-3-11-37(22)35-28(32-27)41-21-9-7-19(8-10-21)30-26(39)16-36-14-23(38)24(15-36)40-20-5-2-4-18(29)13-20/h2-13,23-24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t23-,24-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352318
PNG
(CHEMBL1822658)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-22-3-2-12-37(22)35-28(32-27)41-21-10-6-19(7-11-21)30-26(39)16-36-14-23(38)24(15-36)40-20-8-4-18(29)5-9-20/h2-13,23-24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t23-,24-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352331
PNG
(CHEMBL1822645)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)C[C@H]4CO)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C23H26N8O3S/c1-14-9-20(28-27-14)25-22-19-3-2-8-31(19)29-23(26-22)35-18-6-4-15(5-7-18)24-21(34)12-30-11-17(33)10-16(30)13-32/h2-9,16-17,32-33H,10-13H2,1H3,(H,24,34)(H2,25,26,27,28,29)/t16-,17+/m0/s1
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n/an/an/a 15n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora B kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352330
PNG
(CHEMBL1822646)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](N)C[C@H]4CO)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C23H27N9O2S/c1-14-9-20(29-28-14)26-22-19-3-2-8-32(19)30-23(27-22)35-18-6-4-16(5-7-18)25-21(34)12-31-11-15(24)10-17(31)13-33/h2-9,15,17,33H,10-13,24H2,1H3,(H,25,34)(H2,26,27,28,29,30)/t15-,17+/m1/s1
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n/an/an/a 144n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora B kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352332
PNG
(CHEMBL1822644)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@H]4CO)SC(C)(C)C)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C27H34N8O2S2/c1-17-12-23(32-31-17)29-25-22-6-5-11-35(22)33-26(30-25)38-20-9-7-18(8-10-20)28-24(37)15-34-14-21(13-19(34)16-36)39-27(2,3)4/h5-12,19,21,36H,13-16H2,1-4H3,(H,28,37)(H2,29,30,31,32,33)/t19-,21+/m0/s1
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n/an/an/a 39n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora B kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352329
PNG
(CHEMBL1822647)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC(C)(C)C)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C26H32N8O3S/c1-16-12-22(31-30-16)28-24-19-6-5-11-34(19)32-25(29-24)38-18-9-7-17(8-10-18)27-23(36)15-33-13-20(35)21(14-33)37-26(2,3)4/h5-12,20-21,35H,13-15H2,1-4H3,(H,27,36)(H2,28,29,30,31,32)/t20-,21-/m0/s1
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n/an/an/a 5n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora B kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352331
PNG
(CHEMBL1822645)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)C[C@H]4CO)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C23H26N8O3S/c1-14-9-20(28-27-14)25-22-19-3-2-8-31(19)29-23(26-22)35-18-6-4-15(5-7-18)24-21(34)12-30-11-17(33)10-16(30)13-32/h2-9,16-17,32-33H,10-13H2,1H3,(H,24,34)(H2,25,26,27,28,29)/t16-,17+/m0/s1
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n/an/a 637n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352330
PNG
(CHEMBL1822646)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](N)C[C@H]4CO)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C23H27N9O2S/c1-14-9-20(29-28-14)26-22-19-3-2-8-32(19)30-23(27-22)35-18-6-4-16(5-7-18)25-21(34)12-31-11-15(24)10-17(31)13-33/h2-9,15,17,33H,10-13,24H2,1H3,(H,25,34)(H2,26,27,28,29,30)/t15-,17+/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352332
PNG
(CHEMBL1822644)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@H]4CO)SC(C)(C)C)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C27H34N8O2S2/c1-17-12-23(32-31-17)29-25-22-6-5-11-35(22)33-26(30-25)38-20-9-7-18(8-10-20)28-24(37)15-34-14-21(13-19(34)16-36)39-27(2,3)4/h5-12,19,21,36H,13-16H2,1-4H3,(H,28,37)(H2,29,30,31,32,33)/t19-,21+/m0/s1
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n/an/a 1.79E+3n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352318
PNG
(CHEMBL1822658)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-22-3-2-12-37(22)35-28(32-27)41-21-10-6-19(7-11-21)30-26(39)16-36-14-23(38)24(15-36)40-20-8-4-18(29)5-9-20/h2-13,23-24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t23-,24-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase B-mediated histone H3 Ser10 phosphorylation in human HCT116 cells after 2 hrs by sandwich ELISA


J Med Chem 55: 3250-60 (2012)


Article DOI: 10.1021/jm201702g
BindingDB Entry DOI: 10.7270/Q2W0971F
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352318
PNG
(CHEMBL1822658)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-22-3-2-12-37(22)35-28(32-27)41-21-10-6-19(7-11-21)30-26(39)16-36-14-23(38)24(15-36)40-20-8-4-18(29)5-9-20/h2-13,23-24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t23-,24-/m0/s1
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n/an/an/a 8n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora kinase B catalytic domain by competition binding assay


J Med Chem 55: 3250-60 (2012)


Article DOI: 10.1021/jm201702g
BindingDB Entry DOI: 10.7270/Q2W0971F
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50352318
PNG
(CHEMBL1822658)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-22-3-2-12-37(22)35-28(32-27)41-21-10-6-19(7-11-21)30-26(39)16-36-14-23(38)24(15-36)40-20-8-4-18(29)5-9-20/h2-13,23-24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t23-,24-/m0/s1
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n/an/an/a 15n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50352319
PNG
(CHEMBL1822657)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4cccc(F)c4)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C28H27FN8O3S/c1-17-12-25(34-33-17)31-27-22-6-3-11-37(22)35-28(32-27)41-21-9-7-19(8-10-21)30-26(39)16-36-14-23(38)24(15-36)40-20-5-2-4-18(29)13-20/h2-13,23-24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t23-,24-/m0/s1
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n/an/an/a 17n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50352320
PNG
(CHEMBL1822656)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccccc4F)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-21-6-4-12-37(21)35-28(32-27)41-19-10-8-18(9-11-19)30-26(39)16-36-14-22(38)24(15-36)40-23-7-3-2-5-20(23)29/h2-13,22,24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t22-,24-/m0/s1
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n/an/an/a 10n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50352321
PNG
(CHEMBL1822655)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](OC(C)(C)C)C(C4)N=O)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C26H31N9O3S/c1-16-12-22(31-30-16)28-24-20-6-5-11-35(20)32-25(29-24)39-18-9-7-17(8-10-18)27-23(36)15-34-13-19(33-37)21(14-34)38-26(2,3)4/h5-12,19,21H,13-15H2,1-4H3,(H,27,36)(H2,28,29,30,31,32)/t19?,21-/m0/s1
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n/an/an/a 9n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50352322
PNG
(CHEMBL1822654)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC4CCCC4)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C27H32N8O3S/c1-17-13-24(32-31-17)29-26-21-7-4-12-35(21)33-27(30-26)39-20-10-8-18(9-11-20)28-25(37)16-34-14-22(36)23(15-34)38-19-5-2-3-6-19/h4,7-13,19,22-23,36H,2-3,5-6,14-16H2,1H3,(H,28,37)(H2,29,30,31,32,33)/t22-,23-/m0/s1
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n/an/an/a 11n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50352323
PNG
(CHEMBL1822653)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OCC4CC4)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C26H30N8O3S/c1-16-11-23(31-30-16)28-25-20-3-2-10-34(20)32-26(29-25)38-19-8-6-18(7-9-19)27-24(36)14-33-12-21(35)22(13-33)37-15-17-4-5-17/h2-3,6-11,17,21-22,35H,4-5,12-15H2,1H3,(H,27,36)(H2,28,29,30,31,32)/t21-,22-/m0/s1
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n/an/an/a 7n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50352324
PNG
(CHEMBL1822652)
Show SMILES CC(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O
Show InChI InChI=1S/C25H30N8O3S/c1-15(2)36-21-13-32(12-20(21)34)14-23(35)26-17-6-8-18(9-7-17)37-25-28-24(19-5-4-10-33(19)31-25)27-22-11-16(3)29-30-22/h4-11,15,20-21,34H,12-14H2,1-3H3,(H,26,35)(H2,27,28,29,30,31)/t20-,21-/m0/s1
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n/an/an/a 8n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50352325
PNG
(CHEMBL1822651)
Show SMILES COCCO[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O
Show InChI InChI=1S/C25H30N8O4S/c1-16-12-22(30-29-16)27-24-19-4-3-9-33(19)31-25(28-24)38-18-7-5-17(6-8-18)26-23(35)15-32-13-20(34)21(14-32)37-11-10-36-2/h3-9,12,20-21,34H,10-11,13-15H2,1-2H3,(H,26,35)(H2,27,28,29,30,31)/t20-,21-/m0/s1
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n/an/an/a 5n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50352326
PNG
(CHEMBL1822650)
Show SMILES CCC(C)(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O
Show InChI InChI=1S/C27H34N8O3S/c1-5-27(3,4)38-22-15-34(14-21(22)36)16-24(37)28-18-8-10-19(11-9-18)39-26-30-25(20-7-6-12-35(20)33-26)29-23-13-17(2)31-32-23/h6-13,21-22,36H,5,14-16H2,1-4H3,(H,28,37)(H2,29,30,31,32,33)/t21-,22-/m0/s1
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n/an/an/a 8n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50352327
PNG
(CHEMBL1822649)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC(C)(C)C(F)(F)F)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C26H29F3N8O3S/c1-15-11-21(34-33-15)31-23-18-5-4-10-37(18)35-24(32-23)41-17-8-6-16(7-9-17)30-22(39)14-36-12-19(38)20(13-36)40-25(2,3)26(27,28)29/h4-11,19-20,38H,12-14H2,1-3H3,(H,30,39)(H2,31,32,33,34,35)/t19-,20-/m0/s1
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n/an/an/a 6n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50352328
PNG
(CHEMBL1822648)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@@H](F)C4)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C22H23FN8O2S/c1-13-9-19(28-27-13)25-21-17-3-2-8-31(17)29-22(26-21)34-15-6-4-14(5-7-15)24-20(33)12-30-10-16(23)18(32)11-30/h2-9,16,18,32H,10-12H2,1H3,(H,24,33)(H2,25,26,27,28,29)/t16-,18-/m0/s1
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n/an/an/a 5n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50352329
PNG
(CHEMBL1822647)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC(C)(C)C)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C26H32N8O3S/c1-16-12-22(31-30-16)28-24-19-6-5-11-34(19)32-25(29-24)38-18-9-7-17(8-10-18)27-23(36)15-33-13-20(35)21(14-33)37-26(2,3)4/h5-12,20-21,35H,13-15H2,1-4H3,(H,27,36)(H2,28,29,30,31,32)/t20-,21-/m0/s1
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n/an/an/a 12n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50352330
PNG
(CHEMBL1822646)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](N)C[C@H]4CO)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C23H27N9O2S/c1-14-9-20(29-28-14)26-22-19-3-2-8-32(19)30-23(27-22)35-18-6-4-16(5-7-18)25-21(34)12-31-11-15(24)10-17(31)13-33/h2-9,15,17,33H,10-13,24H2,1H3,(H,25,34)(H2,26,27,28,29,30)/t15-,17+/m1/s1
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n/an/an/a 381n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50352331
PNG
(CHEMBL1822645)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)C[C@H]4CO)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C23H26N8O3S/c1-14-9-20(28-27-14)25-22-19-3-2-8-31(19)29-23(26-22)35-18-6-4-15(5-7-18)24-21(34)12-30-11-17(33)10-16(30)13-32/h2-9,16-17,32-33H,10-13H2,1H3,(H,24,34)(H2,25,26,27,28,29)/t16-,17+/m0/s1
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n/an/an/a 58n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50352332
PNG
(CHEMBL1822644)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@H]4CO)SC(C)(C)C)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C27H34N8O2S2/c1-17-12-23(32-31-17)29-25-22-6-5-11-35(22)33-26(30-25)38-20-9-7-18(8-10-20)28-24(37)15-34-14-21(13-19(34)16-36)39-27(2,3)4/h5-12,19,21,36H,13-16H2,1-4H3,(H,28,37)(H2,29,30,31,32,33)/t19-,21+/m0/s1
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n/an/an/a 111n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352322
PNG
(CHEMBL1822654)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC4CCCC4)cc3)nn3cccc23)n[nH]1
Show InChI InChI=1S/C27H32N8O3S/c1-17-13-24(32-31-17)29-26-21-7-4-12-35(21)33-27(30-26)39-20-10-8-18(9-11-20)28-25(37)16-34-14-22(36)23(15-34)38-19-5-2-3-6-19/h4,7-13,19,22-23,36H,2-3,5-6,14-16H2,1H3,(H,28,37)(H2,29,30,31,32,33)/t22-,23-/m0/s1
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n/an/an/a 4n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora B kinase catalytic domain by competitive binding assay


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair