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12 similar compounds to monomer 50382003

Compile data set for download or QSAR
Wt: 466.5
BDBM50381990
Wt: 452.5
BDBM50381992
Wt: 542.6
BDBM50381997
Wt: 451.5
BDBM50381999
Wt: 555.6
BDBM50382001
Wt: 541.6
BDBM50382002
Wt: 550.6
BDBM50382006
Wt: 542.6
BDBM50382018
Wt: 569.7
BDBM50382022
Wt: 479.6
BDBM50382025
Wt: 465.5
BDBM50382026
Wt: 542.6
BDBM50382033

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50381990,50381992,50381997,50381999,50382001,50382002,50382006,50382018,50382022,50382025,50382026,50382033   
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))
BDBM50382018
PNG
(CHEMBL2022377)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccccn4)c3)sn2)C1
Show InChI InChI=1S/C27H30N10OS/c1-18-6-5-9-35(13-18)16-21-10-25(39-34-21)33-26-27-29-12-22(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-23-7-3-4-8-28-23/h3-4,7-8,10-12,14-15,18H,5-6,9,13,16-17H2,1-2H3,(H,31,33)(H,28,32,38)
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n/an/an/an/a 285n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase in human HCT116 cells assessed as inhibition of histone H3 phosphorylation incubated for 1 hr by Hoechst 33342 staining...


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50381997
PNG
(CHEMBL2022379)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1
Show InChI InChI=1S/C27H30N10OS/c1-18-4-3-9-35(13-18)16-22-10-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-21-5-7-28-8-6-21/h5-8,10-12,14-15,18H,3-4,9,13,16-17H2,1-2H3,(H,31,33)(H,28,32,38)
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50382025
PNG
(CHEMBL2022117)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1cnc2c(Nc3cc(CN4CCCCC4)ns3)nc(C)cn12
Show InChI InChI=1S/C23H29N9OS/c1-16-12-32-19(17-10-25-31(13-17)15-21(33)29(2)3)11-24-23(32)22(26-16)27-20-9-18(28-34-20)14-30-7-5-4-6-8-30/h9-13H,4-8,14-15H2,1-3H3,(H,26,27)
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n/an/a>3.00E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50382026
PNG
(CHEMBL2022115)
Show SMILES CNC(=O)Cn1cc(cn1)-c1cnc2c(Nc3cc(CN4CCCCC4)ns3)nc(C)cn12
Show InChI InChI=1S/C22H27N9OS/c1-15-11-31-18(16-9-25-30(12-16)14-19(32)23-2)10-24-22(31)21(26-15)27-20-8-17(28-33-20)13-29-6-4-3-5-7-29/h8-12H,3-7,13-14H2,1-2H3,(H,23,32)(H,26,27)
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50382002
PNG
(CHEMBL2022121)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccccc4)c3)sn2)C1
Show InChI InChI=1S/C28H31N9OS/c1-19-7-6-10-35(14-19)17-23-11-26(39-34-23)33-27-28-29-13-24(37(28)15-20(2)31-27)21-12-30-36(16-21)18-25(38)32-22-8-4-3-5-9-22/h3-5,8-9,11-13,15-16,19H,6-7,10,14,17-18H2,1-2H3,(H,31,33)(H,32,38)
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50382022
PNG
(CHEMBL2022122)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)N(C)Cc4ccccc4)c3)sn2)C1
Show InChI InChI=1S/C30H35N9OS/c1-21-8-7-11-37(15-21)19-25-12-27(41-35-25)34-29-30-31-14-26(39(30)16-22(2)33-29)24-13-32-38(18-24)20-28(40)36(3)17-23-9-5-4-6-10-23/h4-6,9-10,12-14,16,18,21H,7-8,11,15,17,19-20H2,1-3H3,(H,33,34)
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50382006
PNG
(CHEMBL2023292)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(Cc2nc(c[nH]2)-c2ccccc2)c1
Show InChI InChI=1S/C29H30N10S/c1-20-16-39-25(22-13-32-38(17-22)19-26-30-14-24(34-26)21-8-4-2-5-9-21)15-31-29(39)28(33-20)35-27-12-23(36-40-27)18-37-10-6-3-7-11-37/h2,4-5,8-9,12-17H,3,6-7,10-11,18-19H2,1H3,(H,30,34)(H,33,35)
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase in human HCT116 cells assessed as inhibition of histone H3 phosphorylation incubated for 1 hr by Hoechst 33342 staining...


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50381997
PNG
(CHEMBL2022379)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1
Show InChI InChI=1S/C27H30N10OS/c1-18-4-3-9-35(13-18)16-22-10-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-21-5-7-28-8-6-21/h5-8,10-12,14-15,18H,3-4,9,13,16-17H2,1-2H3,(H,31,33)(H,28,32,38)
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381990
PNG
(CHEMBL2022113)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(O)=O)c3)sn2)C1
Show InChI InChI=1S/C22H26N8O2S/c1-14-4-3-5-28(9-14)12-17-6-19(33-27-17)26-21-22-23-8-18(30(22)10-15(2)25-21)16-7-24-29(11-16)13-20(31)32/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,25,26)(H,31,32)
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381999
PNG
(CHEMBL2022114)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(N)=O)c1
Show InChI InChI=1S/C21H25N9OS/c1-14-10-30-17(15-8-24-29(11-15)13-18(22)31)9-23-21(30)20(25-14)26-19-7-16(27-32-19)12-28-5-3-2-4-6-28/h7-11H,2-6,12-13H2,1H3,(H2,22,31)(H,25,26)
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n/an/a 28n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381992
PNG
(CHEMBL2022112)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(O)=O)c1
Show InChI InChI=1S/C21H24N8O2S/c1-14-10-29-17(15-8-23-28(11-15)13-19(30)31)9-22-21(29)20(24-14)25-18-7-16(26-32-18)12-27-5-3-2-4-6-27/h7-11H,2-6,12-13H2,1H3,(H,24,25)(H,30,31)
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n/an/a 363n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50382033
PNG
(CHEMBL2022378)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4cccnc4)c3)sn2)C1
Show InChI InChI=1S/C27H30N10OS/c1-18-5-4-8-35(13-18)16-22-9-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-10-30-36(15-20)17-24(38)32-21-6-3-7-28-11-21/h3,6-7,9-12,14-15,18H,4-5,8,13,16-17H2,1-2H3,(H,31,33)(H,32,38)
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50382001
PNG
(CHEMBL2022120)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4ccccc4)c3)sn2)C1
Show InChI InChI=1S/C29H33N9OS/c1-20-7-6-10-36(15-20)18-24-11-27(40-35-24)34-28-29-31-14-25(38(29)16-21(2)33-28)23-13-32-37(17-23)19-26(39)30-12-22-8-4-3-5-9-22/h3-5,8-9,11,13-14,16-17,20H,6-7,10,12,15,18-19H2,1-2H3,(H,30,39)(H,33,34)
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n/an/an/an/a 129n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase in human HCT116 cells assessed as inhibition of histone H3 phosphorylation incubated for 1 hr by Hoechst 33342 staining...


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50382002
PNG
(CHEMBL2022121)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccccc4)c3)sn2)C1
Show InChI InChI=1S/C28H31N9OS/c1-19-7-6-10-35(14-19)17-23-11-26(39-34-23)33-27-28-29-13-24(37(28)15-20(2)31-27)21-12-30-36(16-21)18-25(38)32-22-8-4-3-5-9-22/h3-5,8-9,11-13,15-16,19H,6-7,10,14,17-18H2,1-2H3,(H,31,33)(H,32,38)
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase in human HCT116 cells assessed as inhibition of histone H3 phosphorylation incubated for 1 hr by Hoechst 33342 staining...


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50382018
PNG
(CHEMBL2022377)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccccn4)c3)sn2)C1
Show InChI InChI=1S/C27H30N10OS/c1-18-6-5-9-35(13-18)16-21-10-25(39-34-21)33-26-27-29-12-22(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-23-7-3-4-8-28-23/h3-4,7-8,10-12,14-15,18H,5-6,9,13,16-17H2,1-2H3,(H,31,33)(H,28,32,38)
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381999
PNG
(CHEMBL2022114)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(N)=O)c1
Show InChI InChI=1S/C21H25N9OS/c1-14-10-30-17(15-8-24-29(11-15)13-18(22)31)9-23-21(30)20(25-14)26-19-7-16(27-32-19)12-28-5-3-2-4-6-28/h7-11H,2-6,12-13H2,1H3,(H2,22,31)(H,25,26)
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n/an/an/an/a>1.00E+3n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase in human HCT116 cells assessed as inhibition of histone H3 phosphorylation incubated for 1 hr by Hoechst 33342 staining...


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50382006
PNG
(CHEMBL2023292)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(Cc2nc(c[nH]2)-c2ccccc2)c1
Show InChI InChI=1S/C29H30N10S/c1-20-16-39-25(22-13-32-38(17-22)19-26-30-14-24(34-26)21-8-4-2-5-9-21)15-31-29(39)28(33-20)35-27-12-23(36-40-27)18-37-10-6-3-7-11-37/h2,4-5,8-9,12-17H,3,6-7,10-11,18-19H2,1H3,(H,30,34)(H,33,35)
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50381990
PNG
(CHEMBL2022113)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(O)=O)c3)sn2)C1
Show InChI InChI=1S/C22H26N8O2S/c1-14-4-3-5-28(9-14)12-17-6-19(33-27-17)26-21-22-23-8-18(30(22)10-15(2)25-21)16-7-24-29(11-16)13-20(31)32/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,25,26)(H,31,32)
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n/an/a 836n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50381997
PNG
(CHEMBL2022379)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1
Show InChI InChI=1S/C27H30N10OS/c1-18-4-3-9-35(13-18)16-22-10-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-21-5-7-28-8-6-21/h5-8,10-12,14-15,18H,3-4,9,13,16-17H2,1-2H3,(H,31,33)(H,28,32,38)
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n/an/a 1.14E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50381997
PNG
(CHEMBL2022379)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1
Show InChI InChI=1S/C27H30N10OS/c1-18-4-3-9-35(13-18)16-22-10-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-21-5-7-28-8-6-21/h5-8,10-12,14-15,18H,3-4,9,13,16-17H2,1-2H3,(H,31,33)(H,28,32,38)
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n/an/a 1.10E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of RSK2


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381997
PNG
(CHEMBL2022379)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1
Show InChI InChI=1S/C27H30N10OS/c1-18-4-3-9-35(13-18)16-22-10-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-21-5-7-28-8-6-21/h5-8,10-12,14-15,18H,3-4,9,13,16-17H2,1-2H3,(H,31,33)(H,28,32,38)
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n/an/a 108n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50381997
PNG
(CHEMBL2022379)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1
Show InChI InChI=1S/C27H30N10OS/c1-18-4-3-9-35(13-18)16-22-10-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-21-5-7-28-8-6-21/h5-8,10-12,14-15,18H,3-4,9,13,16-17H2,1-2H3,(H,31,33)(H,28,32,38)
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n/an/a 731n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50382022
PNG
(CHEMBL2022122)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)N(C)Cc4ccccc4)c3)sn2)C1
Show InChI InChI=1S/C30H35N9OS/c1-21-8-7-11-37(15-21)19-25-12-27(41-35-25)34-29-30-31-14-26(39(30)16-22(2)33-29)24-13-32-38(18-24)20-28(40)36(3)17-23-9-5-4-6-10-23/h4-6,9-10,12-14,16,18,21H,7-8,11,15,17,19-20H2,1-3H3,(H,33,34)
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n/an/a 1.63E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50382002
PNG
(CHEMBL2022121)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccccc4)c3)sn2)C1
Show InChI InChI=1S/C28H31N9OS/c1-19-7-6-10-35(14-19)17-23-11-26(39-34-23)33-27-28-29-13-24(37(28)15-20(2)31-27)21-12-30-36(16-21)18-25(38)32-22-8-4-3-5-9-22/h3-5,8-9,11-13,15-16,19H,6-7,10,14,17-18H2,1-2H3,(H,31,33)(H,32,38)
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n/an/a 34n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50382001
PNG
(CHEMBL2022120)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4ccccc4)c3)sn2)C1
Show InChI InChI=1S/C29H33N9OS/c1-20-7-6-10-36(15-20)18-24-11-27(40-35-24)34-28-29-31-14-25(38(29)16-21(2)33-28)23-13-32-37(17-23)19-26(39)30-12-22-8-4-3-5-9-22/h3-5,8-9,11,13-14,16-17,20H,6-7,10,12,15,18-19H2,1-2H3,(H,30,39)(H,33,34)
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n/an/a 21n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50382025
PNG
(CHEMBL2022117)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1cnc2c(Nc3cc(CN4CCCCC4)ns3)nc(C)cn12
Show InChI InChI=1S/C23H29N9OS/c1-16-12-32-19(17-10-25-31(13-17)15-21(33)29(2)3)11-24-23(32)22(26-16)27-20-9-18(28-34-20)14-30-7-5-4-6-8-30/h9-13H,4-8,14-15H2,1-3H3,(H,26,27)
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n/an/a>3.00E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50382026
PNG
(CHEMBL2022115)
Show SMILES CNC(=O)Cn1cc(cn1)-c1cnc2c(Nc3cc(CN4CCCCC4)ns3)nc(C)cn12
Show InChI InChI=1S/C22H27N9OS/c1-15-11-31-18(16-9-25-30(12-16)14-19(32)23-2)10-24-22(31)21(26-15)27-20-8-17(28-33-20)13-29-6-4-3-5-7-29/h8-12H,3-7,13-14H2,1-2H3,(H,23,32)(H,26,27)
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n/an/a>3.00E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50381999
PNG
(CHEMBL2022114)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(N)=O)c1
Show InChI InChI=1S/C21H25N9OS/c1-14-10-30-17(15-8-24-29(11-15)13-18(22)31)9-23-21(30)20(25-14)26-19-7-16(27-32-19)12-28-5-3-2-4-6-28/h7-11H,2-6,12-13H2,1H3,(H2,22,31)(H,25,26)
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n/an/a 1.57E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50381992
PNG
(CHEMBL2022112)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(O)=O)c1
Show InChI InChI=1S/C21H24N8O2S/c1-14-10-29-17(15-8-23-28(11-15)13-19(30)31)9-22-21(29)20(24-14)25-18-7-16(26-32-18)12-27-5-3-2-4-6-27/h7-11H,2-6,12-13H2,1H3,(H,24,25)(H,30,31)
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n/an/a 1.83E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50382006
PNG
(CHEMBL2023292)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(Cc2nc(c[nH]2)-c2ccccc2)c1
Show InChI InChI=1S/C29H30N10S/c1-20-16-39-25(22-13-32-38(17-22)19-26-30-14-24(34-26)21-8-4-2-5-9-21)15-31-29(39)28(33-20)35-27-12-23(36-40-27)18-37-10-6-3-7-11-37/h2,4-5,8-9,12-17H,3,6-7,10-11,18-19H2,1H3,(H,30,34)(H,33,35)
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n/an/a 583n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50382018
PNG
(CHEMBL2022377)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccccn4)c3)sn2)C1
Show InChI InChI=1S/C27H30N10OS/c1-18-6-5-9-35(13-18)16-21-10-25(39-34-21)33-26-27-29-12-22(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-23-7-3-4-8-28-23/h3-4,7-8,10-12,14-15,18H,5-6,9,13,16-17H2,1-2H3,(H,31,33)(H,28,32,38)
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n/an/a 185n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50382033
PNG
(CHEMBL2022378)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4cccnc4)c3)sn2)C1
Show InChI InChI=1S/C27H30N10OS/c1-18-5-4-8-35(13-18)16-22-9-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-10-30-36(15-20)17-24(38)32-21-6-3-7-28-11-21/h3,6-7,9-12,14-15,18H,4-5,8,13,16-17H2,1-2H3,(H,31,33)(H,32,38)
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n/an/a 186n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381997
PNG
(CHEMBL2022379)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1
Show InChI InChI=1S/C27H30N10OS/c1-18-4-3-9-35(13-18)16-22-10-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-21-5-7-28-8-6-21/h5-8,10-12,14-15,18H,3-4,9,13,16-17H2,1-2H3,(H,31,33)(H,28,32,38)
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n/an/an/an/a 83n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase in human HCT116 cells assessed as inhibition of histone H3 phosphorylation incubated for 1 hr by Hoechst 33342 staining...


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair