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5 similar compounds to monomer 26307

Compile data set for download or QSAR
Wt: 567.5
BDBM26303
Wt: 555.5
BDBM26304
Wt: 549.5
BDBM26305
Wt: 537.5
BDBM26306
Wt: 537.5
BDBM26308

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 26303,26304,26305,26306,26308   
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))
BDBM26303
PNG
(4-aminopyrazole quinazoline, 3 | N-(2,3-difluoroph...)
Show SMILES COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2cc1OCCCN1CCC[C@@H]1CO
Show InChI InChI=1S/C28H31F2N7O4/c1-40-24-11-20-23(12-25(24)41-10-4-9-36-8-3-5-19(36)16-38)31-17-32-28(20)34-18-13-33-37(14-18)15-26(39)35-22-7-2-6-21(29)27(22)30/h2,6-7,11-14,17,19,38H,3-5,8-10,15-16H2,1H3,(H,35,39)(H,31,32,34)/t19-/m1/s1
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<1<-12.1n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


Bioorg Med Chem Lett 18: 1904-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.002
BindingDB Entry DOI: 10.7270/Q2BZ64C7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26304
PNG
(4-aminopyrazole quinazoline, 4 | N-(2,3-difluoroph...)
Show SMILES CCN(CCO)CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)c2cc1OC
Show InChI InChI=1S/C27H31F2N7O4/c1-3-35(9-10-37)8-5-11-40-24-13-22-19(12-23(24)39-2)27(31-17-30-22)33-18-14-32-36(15-18)16-25(38)34-21-7-4-6-20(28)26(21)29/h4,6-7,12-15,17,37H,3,5,8-11,16H2,1-2H3,(H,34,38)(H,30,31,33)
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<1<-12.1n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


Bioorg Med Chem Lett 18: 1904-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.002
BindingDB Entry DOI: 10.7270/Q2BZ64C7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26305
PNG
(4-aminopyrazole quinazoline, 5 | N-(3-fluorophenyl...)
Show SMILES COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)ncnc2cc1OCCCN1CCC[C@@H]1CO
Show InChI InChI=1S/C28H32FN7O4/c1-39-25-12-23-24(13-26(25)40-10-4-9-35-8-3-7-22(35)17-37)30-18-31-28(23)34-21-14-32-36(15-21)16-27(38)33-20-6-2-5-19(29)11-20/h2,5-6,11-15,18,22,37H,3-4,7-10,16-17H2,1H3,(H,33,38)(H,30,31,34)/t22-/m1/s1
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1 -12.1n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


Bioorg Med Chem Lett 18: 1904-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.002
BindingDB Entry DOI: 10.7270/Q2BZ64C7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26306
PNG
(2-{4-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-6...)
Show SMILES CCN(CCO)CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)c2cc1OC
Show InChI InChI=1S/C27H32FN7O4/c1-3-34(9-10-36)8-5-11-39-25-14-23-22(13-24(25)38-2)27(30-18-29-23)33-21-15-31-35(16-21)17-26(37)32-20-7-4-6-19(28)12-20/h4,6-7,12-16,18,36H,3,5,8-11,17H2,1-2H3,(H,32,37)(H,29,30,33)
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1 -12.1n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


Bioorg Med Chem Lett 18: 1904-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.002
BindingDB Entry DOI: 10.7270/Q2BZ64C7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26308
PNG
(4-aminopyrazole quinazoline, 8 | N-(2,3-difluoroph...)
Show SMILES OC[C@H]1CCCN1CCCOc1ccc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2c1
Show InChI InChI=1S/C27H29F2N7O3/c28-22-5-1-6-23(26(22)29)34-25(38)15-36-14-18(13-32-36)33-27-21-8-7-20(12-24(21)30-17-31-27)39-11-3-10-35-9-2-4-19(35)16-37/h1,5-8,12-14,17,19,37H,2-4,9-11,15-16H2,(H,34,38)(H,30,31,33)/t19-/m1/s1
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<1<-12.1n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


Bioorg Med Chem Lett 18: 1904-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.002
BindingDB Entry DOI: 10.7270/Q2BZ64C7
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26303
PNG
(4-aminopyrazole quinazoline, 3 | N-(2,3-difluoroph...)
Show SMILES COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2cc1OCCCN1CCC[C@@H]1CO
Show InChI InChI=1S/C28H31F2N7O4/c1-40-24-11-20-23(12-25(24)41-10-4-9-36-8-3-5-19(36)16-38)31-17-32-28(20)34-18-13-33-37(14-18)15-26(39)35-22-7-2-6-21(29)27(22)30/h2,6-7,11-14,17,19,38H,3-5,8-10,15-16H2,1H3,(H,35,39)(H,31,32,34)/t19-/m1/s1
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340 -8.73n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


Bioorg Med Chem Lett 18: 1904-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.002
BindingDB Entry DOI: 10.7270/Q2BZ64C7
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26304
PNG
(4-aminopyrazole quinazoline, 4 | N-(2,3-difluoroph...)
Show SMILES CCN(CCO)CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)c2cc1OC
Show InChI InChI=1S/C27H31F2N7O4/c1-3-35(9-10-37)8-5-11-40-24-13-22-19(12-23(24)39-2)27(31-17-30-22)33-18-14-32-36(15-18)16-25(38)34-21-7-4-6-20(28)26(21)29/h4,6-7,12-15,17,37H,3,5,8-11,16H2,1-2H3,(H,34,38)(H,30,31,33)
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540 -8.46n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


Bioorg Med Chem Lett 18: 1904-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.002
BindingDB Entry DOI: 10.7270/Q2BZ64C7
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26306
PNG
(2-{4-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-6...)
Show SMILES CCN(CCO)CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)c2cc1OC
Show InChI InChI=1S/C27H32FN7O4/c1-3-34(9-10-36)8-5-11-39-25-14-23-22(13-24(25)38-2)27(30-18-29-23)33-21-15-31-35(16-21)17-26(37)32-20-7-4-6-19(28)12-20/h4,6-7,12-16,18,36H,3,5,8-11,17H2,1-2H3,(H,32,37)(H,29,30,33)
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1.10E+3 -8.04n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


Bioorg Med Chem Lett 18: 1904-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.002
BindingDB Entry DOI: 10.7270/Q2BZ64C7
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26305
PNG
(4-aminopyrazole quinazoline, 5 | N-(3-fluorophenyl...)
Show SMILES COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)ncnc2cc1OCCCN1CCC[C@@H]1CO
Show InChI InChI=1S/C28H32FN7O4/c1-39-25-12-23-24(13-26(25)40-10-4-9-35-8-3-7-22(35)17-37)30-18-31-28(23)34-21-14-32-36(15-21)16-27(38)33-20-6-2-5-19(29)11-20/h2,5-6,11-15,18,22,37H,3-4,7-10,16-17H2,1H3,(H,33,38)(H,30,31,34)/t22-/m1/s1
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1.30E+3 -7.94n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


Bioorg Med Chem Lett 18: 1904-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.002
BindingDB Entry DOI: 10.7270/Q2BZ64C7
More data for this
Ligand-Target Pair