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Compile Data Set for Download or QSAR

Found 251 hits with Last Name = 'basso' and Initial = 'ad'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase A


(Homo sapiens (Human))
BDBM50381998
PNG
(CHEMBL2022711)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4F)c3)sn2)C1
Show InChI InChI=1S/C27H29FN10OS/c1-17-4-3-7-36(12-17)15-20-8-25(40-35-20)34-26-27-30-11-23(38(27)13-18(2)32-26)19-9-31-37(14-19)16-24(39)33-22-5-6-29-10-21(22)28/h5-6,8-11,13-14,17H,3-4,7,12,15-16H2,1-2H3,(H,32,34)(H,29,33,39)
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n/an/a<4n/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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50335179
PNG
(6-Methyl-N-[3-(1-piperidinylmethyl)-5-isothiazolyl...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C19H22N8S/c1-13-11-27-16(14-8-21-22-9-14)10-20-19(27)18(23-13)24-17-7-15(25-28-17)12-26-5-3-2-4-6-26/h7-11H,2-6,12H2,1H3,(H,21,22)(H,23,24)
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n/an/a 4n/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
Aurora kinase A


(Homo sapiens (Human))
BDBM50348631
PNG
(CHEMBL1801109)
Show SMILES CS(=O)(=O)N1CCC(CC1)c1cc(Nc2nccn3c(cnc23)-c2cn[nH]c2)sn1
Show InChI InChI=1S/C18H20N8O2S2/c1-30(27,28)25-5-2-12(3-6-25)14-8-16(29-24-14)23-17-18-20-11-15(13-9-21-22-10-13)26(18)7-4-19-17/h4,7-12H,2-3,5-6H2,1H3,(H,19,23)(H,21,22)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5170-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.008
BindingDB Entry DOI: 10.7270/Q2Q81DGH
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50348638
PNG
(CHEMBL1800086)
Show SMILES Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)-c2cccnc2)sn1
Show InChI InChI=1S/C18H14N8S/c1-11-5-16(27-25-11)24-17-18-20-9-15(13-7-21-22-8-13)26(18)10-14(23-17)12-3-2-4-19-6-12/h2-10H,1H3,(H,21,22)(H,23,24)
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5170-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.008
BindingDB Entry DOI: 10.7270/Q2Q81DGH
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRK4


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TSSK2


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK3


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cMET


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CSNK1d


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
CaM kinase IV


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Camk4


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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n/an/a>10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
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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n/an/a 12n/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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50335179
PNG
(6-Methyl-N-[3-(1-piperidinylmethyl)-5-isothiazolyl...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C19H22N8S/c1-13-11-27-16(14-8-21-22-9-14)10-20-19(27)18(23-13)24-17-7-15(25-28-17)12-26-5-3-2-4-6-26/h7-11H,2-6,12H2,1H3,(H,21,22)(H,23,24)
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n/an/a 12n/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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50348645
PNG
(CHEMBL1801135)
Show SMILES Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C(=O)N2CCCC2)sn1
Show InChI InChI=1S/C18H18N8OS/c1-11-6-15(28-24-11)23-16-17-19-9-14(12-7-20-21-8-12)26(17)10-13(22-16)18(27)25-4-2-3-5-25/h6-10H,2-5H2,1H3,(H,20,21)(H,22,23)
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5170-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.008
BindingDB Entry DOI: 10.7270/Q2Q81DGH
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50348636
PNG
(CHEMBL1801115)
Show SMILES Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)sn1
Show InChI InChI=1S/C16H15N7S/c1-9-4-14(24-22-9)21-15-16-17-7-13(11-5-18-19-6-11)23(16)8-12(20-15)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,18,19)(H,20,21)
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5170-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.008
BindingDB Entry DOI: 10.7270/Q2Q81DGH
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50348631
PNG
(CHEMBL1801109)
Show SMILES CS(=O)(=O)N1CCC(CC1)c1cc(Nc2nccn3c(cnc23)-c2cn[nH]c2)sn1
Show InChI InChI=1S/C18H20N8O2S2/c1-30(27,28)25-5-2-12(3-6-25)14-8-16(29-24-14)23-17-18-20-11-15(13-9-21-22-10-13)26(18)7-4-19-17/h4,7-12H,2-3,5-6H2,1H3,(H,19,23)(H,21,22)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5170-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.008
BindingDB Entry DOI: 10.7270/Q2Q81DGH
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50382003
PNG
(CHEMBL2022123)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(Cc4nc5ccccc5[nH]4)c3)sn2)C1
Show InChI InChI=1S/C28H30N10S/c1-18-6-5-9-36(13-18)16-21-10-26(39-35-21)34-27-28-29-12-24(38(28)14-19(2)31-27)20-11-30-37(15-20)17-25-32-22-7-3-4-8-23(22)33-25/h3-4,7-8,10-12,14-15,18H,5-6,9,13,16-17H2,1-2H3,(H,31,34)(H,32,33)
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n/an/a 18n/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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50381996
PNG
(CHEMBL2022373)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)Nc2cccc(F)c2F)c1
Show InChI InChI=1S/C27H27F2N9OS/c1-17-13-38-22(18-11-31-37(14-18)16-23(39)33-21-7-5-6-20(28)25(21)29)12-30-27(38)26(32-17)34-24-10-19(35-40-24)15-36-8-3-2-4-9-36/h5-7,10-14H,2-4,8-9,15-16H2,1H3,(H,32,34)(H,33,39)
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n/an/a 20n/an/an/an/an/an/a



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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50335179
PNG
(6-Methyl-N-[3-(1-piperidinylmethyl)-5-isothiazolyl...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C19H22N8S/c1-13-11-27-16(14-8-21-22-9-14)10-20-19(27)18(23-13)24-17-7-15(25-28-17)12-26-5-3-2-4-6-26/h7-11H,2-6,12H2,1H3,(H,21,22)(H,23,24)
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n/an/a 20n/an/an/an/an/an/a



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 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 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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n/an/a 21n/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 A


(Homo sapiens (Human))
BDBM50382010
PNG
(CHEMBL2023297)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)NCc2cc(F)cc(F)c2)c1
Show InChI InChI=1S/C28H29F2N9OS/c1-18-14-39-24(20-12-33-38(15-20)17-25(40)31-11-19-7-21(29)9-22(30)8-19)13-32-28(39)27(34-18)35-26-10-23(36-41-26)16-37-5-3-2-4-6-37/h7-10,12-15H,2-6,11,16-17H2,1H3,(H,31,40)(H,34,35)
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n/an/a 22n/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))
BDBM50348641
PNG
(CHEMBL1801131)
Show SMILES CCSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C15H15N7S2/c1-3-23-13-8-22-11(10-5-17-18-6-10)7-16-15(22)14(20-13)19-12-4-9(2)21-24-12/h4-8H,3H2,1-2H3,(H,17,18)(H,19,20)
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5170-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.008
BindingDB Entry DOI: 10.7270/Q2Q81DGH
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50348641
PNG
(CHEMBL1801131)
Show SMILES CCSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C15H15N7S2/c1-3-23-13-8-22-11(10-5-17-18-6-10)7-16-15(22)14(20-13)19-12-4-9(2)21-24-12/h4-8H,3H2,1-2H3,(H,17,18)(H,19,20)
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5170-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.008
BindingDB Entry DOI: 10.7270/Q2Q81DGH
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50348645
PNG
(CHEMBL1801135)
Show SMILES Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C(=O)N2CCCC2)sn1
Show InChI InChI=1S/C18H18N8OS/c1-11-6-15(28-24-11)23-16-17-19-9-14(12-7-20-21-8-12)26(17)10-13(22-16)18(27)25-4-2-3-5-25/h6-10H,2-5H2,1H3,(H,20,21)(H,22,23)
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5170-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.008
BindingDB Entry DOI: 10.7270/Q2Q81DGH
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50348634
PNG
(CHEMBL1801112)
Show SMILES Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C(F)(F)F)sn1
Show InChI InChI=1S/C14H10F3N7S/c1-7-2-11(25-23-7)22-12-13-18-5-9(8-3-19-20-4-8)24(13)6-10(21-12)14(15,16)17/h2-6H,1H3,(H,19,20)(H,21,22)
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5170-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.008
BindingDB Entry DOI: 10.7270/Q2Q81DGH
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50381995
PNG
(CHEMBL2022369)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4cccs4)c3)sn2)C1
Show InChI InChI=1S/C27H31N9OS2/c1-18-5-3-7-34(13-18)16-21-9-25(39-33-21)32-26-27-29-12-23(36(27)14-19(2)31-26)20-10-30-35(15-20)17-24(37)28-11-22-6-4-8-38-22/h4,6,8-10,12,14-15,18H,3,5,7,11,13,16-17H2,1-2H3,(H,28,37)(H,31,32)
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n/an/a 27n/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))
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))
BDBM50382020
PNG
(CHEMBL2022712)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4cccc(F)n4)c3)sn2)C1
Show InChI InChI=1S/C27H29FN10OS/c1-17-5-4-8-36(12-17)15-20-9-25(40-35-20)34-26-27-29-11-21(38(27)13-18(2)31-26)19-10-30-37(14-19)16-24(39)33-23-7-3-6-22(28)32-23/h3,6-7,9-11,13-14,17H,4-5,8,12,15-16H2,1-2H3,(H,31,34)(H,32,33,39)
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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 A


(Homo sapiens (Human))
BDBM50348639
PNG
(CHEMBL1801129)
Show SMILES Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)S(C)=O)sn1
Show InChI InChI=1S/C14H13N7OS2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)24(2)22/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5170-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.008
BindingDB Entry DOI: 10.7270/Q2Q81DGH
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50382015
PNG
(CHEMBL2022372)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C27H28FN9OS/c1-18-14-37-23(19-12-30-36(15-19)17-24(38)32-21-7-5-20(28)6-8-21)13-29-27(37)26(31-18)33-25-11-22(34-39-25)16-35-9-3-2-4-10-35/h5-8,11-15H,2-4,9-10,16-17H2,1H3,(H,31,33)(H,32,38)
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n/an/a 30n/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 A


(Homo sapiens (Human))
BDBM50382008
PNG
(CHEMBL2023294)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)NCc2cccc(F)c2)c1
Show InChI InChI=1S/C28H30FN9OS/c1-19-15-38-24(21-13-32-37(16-21)18-25(39)30-12-20-6-5-7-22(29)10-20)14-31-28(38)27(33-19)34-26-11-23(35-40-26)17-36-8-3-2-4-9-36/h5-7,10-11,13-16H,2-4,8-9,12,17-18H2,1H3,(H,30,39)(H,33,34)
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n/an/a 30n/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))
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 32n/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))
BDBM50348635
PNG
(CHEMBL1801114)
Show SMILES Cc1cc(Nc2nc(CCN)cn3c(cnc23)-c2cn[nH]c2)sn1
Show InChI InChI=1S/C15H16N8S/c1-9-4-13(24-22-9)21-14-15-17-7-12(10-5-18-19-6-10)23(15)8-11(20-14)2-3-16/h4-8H,2-3,16H2,1H3,(H,18,19)(H,20,21)
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n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5170-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.008
BindingDB Entry DOI: 10.7270/Q2Q81DGH
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 B


(Homo sapiens (Human))
BDBM50382013
PNG
(CHEMBL2022370)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)Nc2ccccc2F)c1
Show InChI InChI=1S/C27H28FN9OS/c1-18-14-37-23(19-12-30-36(15-19)17-24(38)32-22-8-4-3-7-21(22)28)13-29-27(37)26(31-18)33-25-11-20(34-39-25)16-35-9-5-2-6-10-35/h3-4,7-8,11-15H,2,5-6,9-10,16-17H2,1H3,(H,31,33)(H,32,38)
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n/an/a 35n/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))
BDBM50382011
PNG
(CHEMBL2023298)
Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4cccc(c4)C(F)(F)F)c3)sn2)C1
Show InChI InChI=1S/C30H32F3N9OS/c1-19-5-4-8-40(14-19)17-24-10-27(44-39-24)38-28-29-35-13-25(42(29)15-20(2)37-28)22-12-36-41(16-22)18-26(43)34-11-21-6-3-7-23(9-21)30(31,32)33/h3,6-7,9-10,12-13,15-16,19H,4-5,8,11,14,17-18H2,1-2H3,(H,34,43)(H,37,38)
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n/an/a 35n/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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 5170-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.008
BindingDB Entry DOI: 10.7270/Q2Q81DGH
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50381994
PNG
(CHEMBL2023295)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)NCc2ccc(F)cc2)c1
Show InChI InChI=1S/C28H30FN9OS/c1-19-15-38-24(21-13-32-37(16-21)18-25(39)30-12-20-5-7-22(29)8-6-20)14-31-28(38)27(33-19)34-26-11-23(35-40-26)17-36-9-3-2-4-10-36/h5-8,11,13-16H,2-4,9-10,12,17-18H2,1H3,(H,30,39)(H,33,34)
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n/an/a 40n/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))
BDBM50382012
PNG
(CHEMBL2023301)
Show SMILES COc1cccc(CNC(=O)Cn2cc(cn2)-c2cnc3c(Nc4cc(CN5CCCC(C)C5)ns4)nc(C)cn23)c1
Show InChI InChI=1S/C30H35N9O2S/c1-20-6-5-9-37(15-20)18-24-11-28(42-36-24)35-29-30-32-14-26(39(30)16-21(2)34-29)23-13-33-38(17-23)19-27(40)31-12-22-7-4-8-25(10-22)41-3/h4,7-8,10-11,13-14,16-17,20H,5-6,9,12,15,18-19H2,1-3H3,(H,31,40)(H,34,35)
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n/an/a 41n/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))
BDBM50382000
PNG
(CHEMBL2022116)
Show SMILES CC(C)CCNC(=O)Cn1cc(cn1)-c1cnc2c(Nc3cc(CN4CCCCC4)ns3)nc(C)cn12
Show InChI InChI=1S/C26H35N9OS/c1-18(2)7-8-27-23(36)17-34-15-20(12-29-34)22-13-28-26-25(30-19(3)14-35(22)26)31-24-11-21(32-37-24)16-33-9-5-4-6-10-33/h11-15,18H,4-10,16-17H2,1-3H3,(H,27,36)(H,30,31)
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n/an/a 44n/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 A


(Homo sapiens (Human))
BDBM50382007
PNG
(CHEMBL2023293)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)NCc2ccccc2F)c1
Show InChI InChI=1S/C28H30FN9OS/c1-19-15-38-24(21-13-32-37(16-21)18-25(39)30-12-20-7-3-4-8-23(20)29)14-31-28(38)27(33-19)34-26-11-22(35-40-26)17-36-9-5-2-6-10-36/h3-4,7-8,11,13-16H,2,5-6,9-10,12,17-18H2,1H3,(H,30,39)(H,33,34)
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n/an/a 44n/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
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