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PubMed code 20674350

Compile data set for download or QSAR
Found 63 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase 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
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
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
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
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
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
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
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
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
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
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
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
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50348637
PNG
(CHEMBL1801128)
Show SMILES Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C#N)sn1
Show InChI InChI=1S/C14H10N8S/c1-8-2-12(23-21-8)20-13-14-16-6-11(9-4-17-18-5-9)22(14)7-10(3-15)19-13/h2,4-7H,1H3,(H,17,18)(H,19,20)
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n/an/a 46n/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
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50348633
PNG
(CHEMBL1801111)
Show SMILES Cc1cc(Nc2nc(CN3CCOCC3)cn3c(cnc23)-c2cn[nH]c2)sn1
Show InChI InChI=1S/C18H20N8OS/c1-12-6-16(28-24-12)23-17-18-19-9-15(13-7-20-21-8-13)26(18)11-14(22-17)10-25-2-4-27-5-3-25/h6-9,11H,2-5,10H2,1H3,(H,20,21)(H,22,23)
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n/an/a 50n/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
More data for this
Ligand-Target Pair
Aurora kinase B


(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 51n/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
More data for this
Ligand-Target Pair
Aurora kinase B


(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 62n/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
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50348642
PNG
(CHEMBL1801132)
Show SMILES CN(C)CCSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C17H20N8S2/c1-11-6-14(27-23-11)21-16-17-18-9-13(12-7-19-20-8-12)25(17)10-15(22-16)26-5-4-24(2)3/h6-10H,4-5H2,1-3H3,(H,19,20)(H,21,22)
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n/an/a 81n/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
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50348632
PNG
(CHEMBL1801110)
Show SMILES O=S(=O)(N1CCOCC1)c1ccc(Nc2nccn3c(cnc23)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C19H19N7O3S/c27-30(28,25-7-9-29-10-8-25)16-3-1-15(2-4-16)24-18-19-21-13-17(14-11-22-23-12-14)26(19)6-5-20-18/h1-6,11-13H,7-10H2,(H,20,24)(H,22,23)
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n/an/a 81n/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
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50348642
PNG
(CHEMBL1801132)
Show SMILES CN(C)CCSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C17H20N8S2/c1-11-6-14(27-23-11)21-16-17-18-9-13(12-7-19-20-8-12)25(17)10-15(22-16)26-5-4-24(2)3/h6-10H,4-5H2,1-3H3,(H,19,20)(H,21,22)
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n/an/a 82n/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
More data for this
Ligand-Target Pair
Aurora kinase A


(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 83n/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
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50348644
PNG
(CHEMBL1801134)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(F)cc3)cn3c(cnc23)-c2cn[nH]c2)sn1
Show InChI InChI=1S/C19H14FN7S2/c1-11-6-16(29-26-11)24-18-19-21-9-15(12-7-22-23-8-12)27(19)10-17(25-18)28-14-4-2-13(20)3-5-14/h2-10H,1H3,(H,22,23)(H,24,25)
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n/an/a 85n/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
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50348643
PNG
(CHEMBL1801133)
Show SMILES Cc1cc(Nc2nc(SC(C)(C)C)cn3c(cnc23)-c2cn[nH]c2)sn1
Show InChI InChI=1S/C17H19N7S2/c1-10-5-13(26-23-10)21-15-16-18-8-12(11-6-19-20-7-11)24(16)9-14(22-15)25-17(2,3)4/h5-9H,1-4H3,(H,19,20)(H,21,22)
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n/an/a 105n/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
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50348633
PNG
(CHEMBL1801111)
Show SMILES Cc1cc(Nc2nc(CN3CCOCC3)cn3c(cnc23)-c2cn[nH]c2)sn1
Show InChI InChI=1S/C18H20N8OS/c1-12-6-16(28-24-12)23-17-18-19-9-15(13-7-20-21-8-13)26(18)11-14(22-17)10-25-2-4-27-5-3-25/h6-9,11H,2-5,10H2,1H3,(H,20,21)(H,22,23)
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n/an/a 110n/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
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50348625
PNG
(CHEMBL1801103)
Show SMILES Cn1cc(cn1)-c1cnc2c(Nc3cc(ns3)C3CCN(CC3)S(C)(=O)=O)nccn12
Show InChI InChI=1S/C19H22N8O2S2/c1-25-12-14(10-22-25)16-11-21-19-18(20-5-8-27(16)19)23-17-9-15(24-30-17)13-3-6-26(7-4-13)31(2,28)29/h5,8-13H,3-4,6-7H2,1-2H3,(H,20,23)
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n/an/a 110n/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
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50348632
PNG
(CHEMBL1801110)
Show SMILES O=S(=O)(N1CCOCC1)c1ccc(Nc2nccn3c(cnc23)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C19H19N7O3S/c27-30(28,25-7-9-29-10-8-25)16-3-1-15(2-4-16)24-18-19-21-13-17(14-11-22-23-12-14)26(19)6-5-20-18/h1-6,11-13H,7-10H2,(H,20,24)(H,22,23)
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n/an/a 120n/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
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50348644
PNG
(CHEMBL1801134)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(F)cc3)cn3c(cnc23)-c2cn[nH]c2)sn1
Show InChI InChI=1S/C19H14FN7S2/c1-11-6-16(29-26-11)24-18-19-21-9-15(12-7-22-23-8-12)27(19)10-17(25-18)28-14-4-2-13(20)3-5-14/h2-10H,1H3,(H,22,23)(H,24,25)
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n/an/a 129n/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
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(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 167n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


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


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


(Homo sapiens (Human))
BDBM50348625
PNG
(CHEMBL1801103)
Show SMILES Cn1cc(cn1)-c1cnc2c(Nc3cc(ns3)C3CCN(CC3)S(C)(=O)=O)nccn12
Show InChI InChI=1S/C19H22N8O2S2/c1-25-12-14(10-22-25)16-11-21-19-18(20-5-8-27(16)19)23-17-9-15(24-30-17)13-3-6-26(7-4-13)31(2,28)29/h5,8-13H,3-4,6-7H2,1-2H3,(H,20,23)
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n/an/a 170n/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
More data for this
Ligand-Target Pair
Aurora kinase B


(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 185n/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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(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 187n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


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


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


(Homo sapiens (Human))
BDBM50348624
PNG
(CHEMBL1801102)
Show SMILES Cn1cc(cn1)-c1cnc2c(Nc3cc(ns3)C3CCNCC3)nccn12
Show InChI InChI=1S/C18H20N8S/c1-25-11-13(9-22-25)15-10-21-18-17(20-6-7-26(15)18)23-16-8-14(24-27-16)12-2-4-19-5-3-12/h6-12,19H,2-5H2,1H3,(H,20,23)
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n/an/a 200n/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
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50348637
PNG
(CHEMBL1801128)
Show SMILES Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C#N)sn1
Show InChI InChI=1S/C14H10N8S/c1-8-2-12(23-21-8)20-13-14-16-6-11(9-4-17-18-5-9)22(14)7-10(3-15)19-13/h2,4-7H,1H3,(H,17,18)(H,19,20)
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n/an/a 219n/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
More data for this
Ligand-Target Pair
Aurora kinase B


(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 252n/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
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50348622
PNG
(CHEMBL1801100)
Show SMILES Cc1cc(Nc2nccn3c(cnc23)-c2cnn(C)c2)sn1
Show InChI InChI=1S/C14H13N7S/c1-9-5-12(22-19-9)18-13-14-16-7-11(21(14)4-3-15-13)10-6-17-20(2)8-10/h3-8H,1-2H3,(H,15,18)
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n/an/a 260n/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
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50348643
PNG
(CHEMBL1801133)
Show SMILES Cc1cc(Nc2nc(SC(C)(C)C)cn3c(cnc23)-c2cn[nH]c2)sn1
Show InChI InChI=1S/C17H19N7S2/c1-10-5-13(26-23-10)21-15-16-18-8-12(11-6-19-20-7-11)24(16)9-14(22-15)25-17(2,3)4/h5-9H,1-4H3,(H,19,20)(H,21,22)
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n/an/a 272n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(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 468n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LCK


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


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


(Homo sapiens (Human))
BDBM50348622
PNG
(CHEMBL1801100)
Show SMILES Cc1cc(Nc2nccn3c(cnc23)-c2cnn(C)c2)sn1
Show InChI InChI=1S/C14H13N7S/c1-9-5-12(22-19-9)18-13-14-16-7-11(21(14)4-3-15-13)10-6-17-20(2)8-10/h3-8H,1-2H3,(H,15,18)
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n/an/a 570n/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
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50348640
PNG
(CHEMBL1801130)
Show SMILES Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)S(C)(=O)=O)sn1
Show InChI InChI=1S/C14H13N7O2S2/c1-8-3-11(24-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)25(2,22)23/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a 603n/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
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50348623
PNG
(CHEMBL1801101)
Show SMILES CC(C)c1cc(Nc2nccn3c(cnc23)-c2cnn(C)c2)sn1
Show InChI InChI=1S/C16H17N7S/c1-10(2)12-6-14(24-21-12)20-15-16-18-8-13(23(16)5-4-17-15)11-7-19-22(3)9-11/h4-10H,1-3H3,(H,17,20)
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n/an/a 640n/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
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50348623
PNG
(CHEMBL1801101)
Show SMILES CC(C)c1cc(Nc2nccn3c(cnc23)-c2cnn(C)c2)sn1
Show InChI InChI=1S/C16H17N7S/c1-10(2)12-6-14(24-21-12)20-15-16-18-8-13(23(16)5-4-17-15)11-7-19-22(3)9-11/h4-10H,1-3H3,(H,17,20)
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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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(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 785n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK3


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


Article DOI: 10.1016/j.bmcl.2010.07.008
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(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 1.31E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of RSK2


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


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


(Homo sapiens (Human))
BDBM50348624
PNG
(CHEMBL1801102)
Show SMILES Cn1cc(cn1)-c1cnc2c(Nc3cc(ns3)C3CCNCC3)nccn12
Show InChI InChI=1S/C18H20N8S/c1-25-11-13(9-22-25)15-10-21-18-17(20-6-7-26(15)18)23-16-8-14(24-27-16)12-2-4-19-5-3-12/h6-12,19H,2-5H2,1H3,(H,20,23)
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n/an/a 1.60E+3n/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
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(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 1.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CSNK1d


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


Article DOI: 10.1016/j.bmcl.2010.07.008
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(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 2.27E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Cdk2


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


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


(Homo sapiens (Human))
BDBM50348628
PNG
(CHEMBL1801106)
Show SMILES Cc1csc(Nc2nccn3c(cnc23)-c2cnn(C)c2)c1
Show InChI InChI=1S/C15H14N6S/c1-10-5-13(22-9-10)19-14-15-17-7-12(21(15)4-3-16-14)11-6-18-20(2)8-11/h3-9H,1-2H3,(H,16,19)
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n/an/a 2.50E+3n/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
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50348628
PNG
(CHEMBL1801106)
Show SMILES Cc1csc(Nc2nccn3c(cnc23)-c2cnn(C)c2)c1
Show InChI InChI=1S/C15H14N6S/c1-10-5-13(22-9-10)19-14-15-17-7-12(21(15)4-3-16-14)11-6-18-20(2)8-11/h3-9H,1-2H3,(H,16,19)
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n/an/a 3.00E+3n/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
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50348640
PNG
(CHEMBL1801130)
Show SMILES Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)S(C)(=O)=O)sn1
Show InChI InChI=1S/C14H13N7O2S2/c1-8-3-11(24-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)25(2,22)23/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a>3.00E+3n/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
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50348630
PNG
(CHEMBL1801108)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nccn3c(cnc23)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C18H19N7O2S/c1-23(2)28(26,27)15-6-4-14(5-7-15)22-17-18-20-11-16(25(18)9-8-19-17)13-10-21-24(3)12-13/h4-12H,1-3H3,(H,19,22)
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n/an/a 3.70E+3n/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
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(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 5.05E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


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


Article DOI: 10.1016/j.bmcl.2010.07.008
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(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>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


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


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


(Homo sapiens (Human))
BDBM50348626
PNG
(CHEMBL1801104)
Show SMILES Cc1nsc(Nc2nccn3c(cnc23)-c2cnn(C)c2)n1
Show InChI InChI=1S/C13H12N8S/c1-8-17-13(22-19-8)18-11-12-15-6-10(21(12)4-3-14-11)9-5-16-20(2)7-9/h3-7H,1-2H3,(H,14,17,18,19)
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n/an/a>1.00E+4n/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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(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>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ERK2


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


Article DOI: 10.1016/j.bmcl.2010.07.008
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(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>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt1


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


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


(Homo sapiens (Human))
BDBM50348627
PNG
(CHEMBL1801105)
Show SMILES Cc1csc(Nc2nccn3c(cnc23)-c2cnn(C)c2)n1
Show InChI InChI=1S/C14H13N7S/c1-9-8-22-14(18-9)19-12-13-16-6-11(21(13)4-3-15-12)10-5-17-20(2)7-10/h3-8H,1-2H3,(H,15,18,19)
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n/an/a>1.00E+4n/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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(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>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MST2


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


Article DOI: 10.1016/j.bmcl.2010.07.008
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(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>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IKKb


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


Article DOI: 10.1016/j.bmcl.2010.07.008
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(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>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cMet


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


Article DOI: 10.1016/j.bmcl.2010.07.008
More data for this
Ligand-Target Pair
CaM kinase IV


(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>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Camk4


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


Article DOI: 10.1016/j.bmcl.2010.07.008
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(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>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCa


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


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


(Homo sapiens (Human))
BDBM50348629
PNG
(CHEMBL1801107)
Show SMILES CN(C)c1cccc(Nc2nccn3c(cnc23)-c2cnn(C)c2)c1
Show InChI InChI=1S/C18H19N7/c1-23(2)15-6-4-5-14(9-15)22-17-18-20-11-16(25(18)8-7-19-17)13-10-21-24(3)12-13/h4-12H,1-3H3,(H,19,22)
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n/an/a>1.00E+4n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(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>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Jak2


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


Article DOI: 10.1016/j.bmcl.2010.07.008
More data for this
Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 2


(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>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TSSK2


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


Article DOI: 10.1016/j.bmcl.2010.07.008
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%