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PubMed code 16198560

Compile data set for download or QSAR
Found 19 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))
BDBM50174697
PNG
(3-fluoro-N-[5-(7-methoxy-10,11-dihydro-5-oxa-2,4,1...)
Show SMILES COc1ccc2CNc3c(Nc4cnc(NC(=O)c5cccc(F)c5)nc4)ncnc3Oc2c1
Show InChI InChI=1S/C23H18FN7O3/c1-33-17-6-5-14-9-25-19-20(28-12-29-22(19)34-18(14)8-17)30-16-10-26-23(27-11-16)31-21(32)13-3-2-4-15(24)7-13/h2-8,10-12,25H,9H2,1H3,(H,28,29,30)(H,26,27,31,32)
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n/an/a 320n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Aurora A kinase


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50174698
PNG
(4-fluoro-N-[5-(7-methoxy-10,11-dihydro-5-oxa-2,4,1...)
Show SMILES COc1ccc2CNc3c(Nc4cnc(NC(=O)c5ccc(F)cc5)nc4)ncnc3Oc2c1
Show InChI InChI=1S/C23H18FN7O3/c1-33-17-7-4-14-9-25-19-20(28-12-29-22(19)34-18(14)8-17)30-16-10-26-23(27-11-16)31-21(32)13-2-5-15(24)6-3-13/h2-8,10-12,25H,9H2,1H3,(H,28,29,30)(H,26,27,31,32)
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n/an/a 330n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Aurora A kinase


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50174686
PNG
(1-(1-chloro-5-oxa-2,4,11-triaza-dibenzo[a,d]cycloh...)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc3Oc4ncnc(Cl)c4N=Cc3c2)ccc1Cl |c:24|
Show InChI InChI=1S/C19H10Cl2F3N5O2/c20-13-3-1-11(6-12(13)19(22,23)24)29-18(30)28-10-2-4-14-9(5-10)7-25-15-16(21)26-8-27-17(15)31-14/h1-8H,(H2,28,29,30)
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n/an/a 450n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against FLT3 kinase in a HTRF assay


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50174689
PNG
(CHEMBL439512 | N-[5-(7,8-dimethoxy-10,11-dihydro-5...)
Show SMILES COc1cc2CNc3c(Nc4cnc(NC(=O)c5ccccc5)nc4)ncnc3Oc2cc1OC
Show InChI InChI=1S/C24H21N7O4/c1-33-18-8-15-10-25-20-21(28-13-29-23(20)35-17(15)9-19(18)34-2)30-16-11-26-24(27-12-16)31-22(32)14-6-4-3-5-7-14/h3-9,11-13,25H,10H2,1-2H3,(H,28,29,30)(H,26,27,31,32)
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n/an/a 470n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Aurora A kinase


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50174692
PNG
(CHEMBL200525 | N-[5-(7-methoxy-10,11-dihydro-5-oxa...)
Show SMILES COc1ccc2CNc3c(Nc4cnc(NC(=O)c5ccccc5)nc4)ncnc3Oc2c1
Show InChI InChI=1S/C23H19N7O3/c1-32-17-8-7-15-10-24-19-20(27-13-28-22(19)33-18(15)9-17)29-16-11-25-23(26-12-16)30-21(31)14-5-3-2-4-6-14/h2-9,11-13,24H,10H2,1H3,(H,27,28,29)(H,25,26,30,31)
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n/an/a 600n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Aurora A kinase


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50174701
PNG
(1-(3-chloro-10,11-dihydro-5-oxa-2,4,11-triaza-dibe...)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc3Oc4nc(Cl)ncc4NCc3c2)ccc1Cl
Show InChI InChI=1S/C19H12Cl2F3N5O2/c20-13-3-1-11(6-12(13)19(22,23)24)28-18(30)27-10-2-4-15-9(5-10)7-25-14-8-26-17(21)29-16(14)31-15/h1-6,8,25H,7H2,(H2,27,28,30)
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n/an/a 900n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against FLT3 kinase in a HTRF assay


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50174690
PNG
(CHEMBL199547 | N-[5-(8-methoxy-10,11-dihydro-5-oxa...)
Show SMILES COc1ccc2Oc3ncnc(Nc4cnc(NC(=O)c5ccccc5)nc4)c3NCc2c1
Show InChI InChI=1S/C23H19N7O3/c1-32-17-7-8-18-15(9-17)10-24-19-20(27-13-28-22(19)33-18)29-16-11-25-23(26-12-16)30-21(31)14-5-3-2-4-6-14/h2-9,11-13,24H,10H2,1H3,(H,27,28,29)(H,25,26,30,31)
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n/an/a 970n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Aurora A kinase


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50174691
PNG
(3-fluoro-N-[5-(8-methoxy-10,11-dihydro-5-oxa-2,4,1...)
Show SMILES COc1ccc2Oc3ncnc(Nc4cnc(NC(=O)c5cccc(F)c5)nc4)c3NCc2c1
Show InChI InChI=1S/C23H18FN7O3/c1-33-17-5-6-18-14(8-17)9-25-19-20(28-12-29-22(19)34-18)30-16-10-26-23(27-11-16)31-21(32)13-3-2-4-15(24)7-13/h2-8,10-12,25H,9H2,1H3,(H,28,29,30)(H,26,27,31,32)
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ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Aurora A kinase


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50174694
PNG
(CHEMBL371937 | N-[5-(7,8-dimethoxy-10,11-dihydro-5...)
Show SMILES COc1cc2CNc3c(Nc4cnc(NC(=O)c5cccc(F)c5)nc4)ncnc3Oc2cc1OC
Show InChI InChI=1S/C24H20FN7O4/c1-34-18-7-14-9-26-20-21(29-12-30-23(20)36-17(14)8-19(18)35-2)31-16-10-27-24(28-11-16)32-22(33)13-4-3-5-15(25)6-13/h3-8,10-12,26H,9H2,1-2H3,(H,29,30,31)(H,27,28,32,33)
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ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Aurora A kinase


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50174700
PNG
(CHEMBL199950 | N-[5-(7,8-dimethoxy-10,11-dihydro-5...)
Show SMILES COc1cc2CNc3c(Nc4cnc(NC(=O)c5ccc(C)cc5)nc4)ncnc3Oc2cc1OC
Show InChI InChI=1S/C25H23N7O4/c1-14-4-6-15(7-5-14)23(33)32-25-27-11-17(12-28-25)31-22-21-24(30-13-29-22)36-18-9-20(35-3)19(34-2)8-16(18)10-26-21/h4-9,11-13,26H,10H2,1-3H3,(H,29,30,31)(H,27,28,32,33)
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ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Aurora A kinase


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50174695
PNG
(CHEMBL199476 | N-[5-(10,11-dihydro-5-oxa-2,4,11-tr...)
Show SMILES O=C(Nc1ncc(Nc2ncnc3Oc4ccccc4CNc23)cn1)c1ccccc1
Show InChI InChI=1S/C22H17N7O2/c30-20(14-6-2-1-3-7-14)29-22-24-11-16(12-25-22)28-19-18-21(27-13-26-19)31-17-9-5-4-8-15(17)10-23-18/h1-9,11-13,23H,10H2,(H,26,27,28)(H,24,25,29,30)
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ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Aurora A kinase


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50174699
PNG
(CHEMBL381661 | N-[5-(9-methoxy-10,11-dihydro-5-oxa...)
Show SMILES COc1cccc2Oc3ncnc(Nc4cnc(NC(=O)c5ccccc5)nc4)c3NCc12
Show InChI InChI=1S/C23H19N7O3/c1-32-17-8-5-9-18-16(17)12-24-19-20(27-13-28-22(19)33-18)29-15-10-25-23(26-11-15)30-21(31)14-6-3-2-4-7-14/h2-11,13,24H,12H2,1H3,(H,27,28,29)(H,25,26,30,31)
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n/an/a 2.20E+3n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Aurora A kinase


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50174688
PNG
(CHEMBL200535 | N-[5-(8-methoxy-10,11-dihydro-5-oxa...)
Show SMILES COc1ccc2Oc3ncnc(Nc4cnc(NC(=O)c5ccc(C)cc5)nc4)c3NCc2c1
Show InChI InChI=1S/C24H21N7O3/c1-14-3-5-15(6-4-14)22(32)31-24-26-11-17(12-27-24)30-21-20-23(29-13-28-21)34-19-8-7-18(33-2)9-16(19)10-25-20/h3-9,11-13,25H,10H2,1-2H3,(H,28,29,30)(H,26,27,31,32)
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n/an/a 3.50E+3n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Aurora A kinase


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50174687
PNG
(CHEMBL202926 | N-[5-(10,11-dihydro-5-oxa-2,4,11-tr...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ncc(Nc2ncnc3Oc4ccccc4CNc23)cn1
Show InChI InChI=1S/C23H19N7O2/c1-14-6-8-15(9-7-14)21(31)30-23-25-11-17(12-26-23)29-20-19-22(28-13-27-20)32-18-5-3-2-4-16(18)10-24-19/h2-9,11-13,24H,10H2,1H3,(H,27,28,29)(H,25,26,30,31)
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ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Aurora A kinase


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50174693
PNG
(CHEMBL200395 | N-[5-(7-diethylamino-10,11-dihydro-...)
Show SMILES CCN(CC)c1ccc2CNc3c(Nc4cnc(NC(=O)c5ccccc5)nc4)ncnc3Oc2c1
Show InChI InChI=1S/C26H26N8O2/c1-3-34(4-2)20-11-10-18-13-27-22-23(30-16-31-25(22)36-21(18)12-20)32-19-14-28-26(29-15-19)33-24(35)17-8-6-5-7-9-17/h5-12,14-16,27H,3-4,13H2,1-2H3,(H,30,31,32)(H,28,29,33,35)
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n/an/a 5.00E+3n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Aurora A kinase


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50174686
PNG
(1-(1-chloro-5-oxa-2,4,11-triaza-dibenzo[a,d]cycloh...)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc3Oc4ncnc(Cl)c4N=Cc3c2)ccc1Cl |c:24|
Show InChI InChI=1S/C19H10Cl2F3N5O2/c20-13-3-1-11(6-12(13)19(22,23)24)29-18(30)28-10-2-4-14-9(5-10)7-25-15-16(21)26-8-27-17(15)31-14/h1-8H,(H2,28,29,30)
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n/an/a 9.50E+3n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against IR


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
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))
BDBM50174686
PNG
(1-(1-chloro-5-oxa-2,4,11-triaza-dibenzo[a,d]cycloh...)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc3Oc4ncnc(Cl)c4N=Cc3c2)ccc1Cl |c:24|
Show InChI InChI=1S/C19H10Cl2F3N5O2/c20-13-3-1-11(6-12(13)19(22,23)24)29-18(30)28-10-2-4-14-9(5-10)7-25-15-16(21)26-8-27-17(15)31-14/h1-8H,(H2,28,29,30)
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n/an/a 9.50E+3n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against KDR


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50174696
PNG
(CHEMBL371458 | N-[5-(6-methoxy-10,11-dihydro-5-oxa...)
Show SMILES COc1cccc2CNc3c(Nc4cnc(NC(=O)c5ccccc5)nc4)ncnc3Oc12
Show InChI InChI=1S/C23H19N7O3/c1-32-17-9-5-8-15-10-24-18-20(27-13-28-22(18)33-19(15)17)29-16-11-25-23(26-12-16)30-21(31)14-6-3-2-4-7-14/h2-9,11-13,24H,10H2,1H3,(H,27,28,29)(H,25,26,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Aurora A kinase


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50174685
PNG
(1-(1-chloro-10,11-dihydro-5-oxa-2,4,11-triaza-dibe...)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc3Oc4ncnc(Cl)c4NCc3c2)ccc1Cl
Show InChI InChI=1S/C19H12Cl2F3N5O2/c20-13-3-1-11(6-12(13)19(22,23)24)29-18(30)28-10-2-4-14-9(5-10)7-25-15-16(21)26-8-27-17(15)31-14/h1-6,8,25H,7H2,(H2,28,29,30)
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n/an/a 1.37E+4n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against FLT3 kinase in a HTRF assay


Bioorg Med Chem Lett 15: 5474-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.098
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%