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PubMed code 17933533

Compile data set for download or QSAR
Found 36 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))
BDBM50224734
PNG
(2-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-3H-imid...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
Show InChI InChI=1S/C23H25ClN8OS/c1-30(2)16-5-3-15(4-6-16)21-28-19-20(17(24)13-26-22(19)29-21)32-10-8-31(9-11-32)14-18(33)27-23-25-7-12-34-23/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,27,33)(H,26,28,29)
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n/an/a 42n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50224734
PNG
(2-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-3H-imid...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
Show InChI InChI=1S/C23H25ClN8OS/c1-30(2)16-5-3-15(4-6-16)21-28-19-20(17(24)13-26-22(19)29-21)32-10-8-31(9-11-32)14-18(33)27-23-25-7-12-34-23/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,27,33)(H,26,28,29)
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n/an/a 198n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50224734
PNG
(2-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-3H-imid...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
Show InChI InChI=1S/C23H25ClN8OS/c1-30(2)16-5-3-15(4-6-16)21-28-19-20(17(24)13-26-22(19)29-21)32-10-8-31(9-11-32)14-18(33)27-23-25-7-12-34-23/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,27,33)(H,26,28,29)
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n/an/a 227n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora C kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224749
PNG
(4-(6,7-dichloro-3H-imidazo[4,5-b]pyridin-2-yl)-N,N...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(Cl)c2[nH]1
Show InChI InChI=1S/C14H12Cl2N4/c1-20(2)9-5-3-8(4-6-9)13-18-12-11(16)10(15)7-17-14(12)19-13/h3-7H,1-2H3,(H,17,18,19)
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n/an/a 250n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224745
PNG
(4-(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dime...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Br)cc2[nH]1
Show InChI InChI=1S/C14H13BrN4/c1-19(2)11-5-3-9(4-6-11)13-17-12-7-10(15)8-16-14(12)18-13/h3-8H,1-2H3,(H,16,17,18)
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n/an/a 490n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224731
PNG
(4-(6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dim...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)cc2[nH]1
Show InChI InChI=1S/C14H13ClN4/c1-19(2)11-5-3-9(4-6-11)13-17-12-7-10(15)8-16-14(12)18-13/h3-8H,1-2H3,(H,16,17,18)
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n/an/a 570n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224750
PNG
(CHEMBL237144 | N,N-dimethyl-4-(6-(trifluoromethyl)...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N4/c1-22(2)11-5-3-9(4-6-11)13-20-12-7-10(15(16,17)18)8-19-14(12)21-13/h3-8H,1-2H3,(H,19,20,21)
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n/an/a 740n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224742
PNG
(2-(4-(2-(4-(dimethylamino)phenyl)-3H-imidazo[4,5-b...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2nccc(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
Show InChI InChI=1S/C23H26N8OS/c1-29(2)17-5-3-16(4-6-17)21-27-20-18(7-8-24-22(20)28-21)31-12-10-30(11-13-31)15-19(32)26-23-25-9-14-33-23/h3-9,14H,10-13,15H2,1-2H3,(H,24,27,28)(H,25,26,32)
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n/an/a 870n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224738
PNG
(4-(7-chloro-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dim...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2nccc(Cl)c2[nH]1
Show InChI InChI=1S/C14H13ClN4/c1-19(2)10-5-3-9(4-6-10)13-17-12-11(15)7-8-16-14(12)18-13/h3-8H,1-2H3,(H,16,17,18)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224740
PNG
(4-(3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenz...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C14H14N4/c1-18(2)11-7-5-10(6-8-11)13-16-12-4-3-9-15-14(12)17-13/h3-9H,1-2H3,(H,15,16,17)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224751
PNG
(2-(4-(piperidin-2-yl)phenyl)-3H-imidazo[4,5-b]pyri...)
Show SMILES C1CCC(NC1)c1ccc(cc1)-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C17H18N4/c1-2-10-18-14(4-1)12-6-8-13(9-7-12)16-20-15-5-3-11-19-17(15)21-16/h3,5-9,11,14,18H,1-2,4,10H2,(H,19,20,21)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224736
PNG
(2-(4-(pyrrolidin-1-yl)phenyl)-3H-imidazo[4,5-b]pyr...)
Show SMILES C1CCN(C1)c1ccc(cc1)-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C16H16N4/c1-2-11-20(10-1)13-7-5-12(6-8-13)15-18-14-4-3-9-17-16(14)19-15/h3-9H,1-2,10-11H2,(H,17,18,19)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224754
PNG
(2-(4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl)...)
Show SMILES COc1cc2ncnc(N3CCN(CC(=O)Nc4nccs4)CC3)c2cc1OC
Show InChI InChI=1S/C19H22N6O3S/c1-27-15-9-13-14(10-16(15)28-2)21-12-22-18(13)25-6-4-24(5-7-25)11-17(26)23-19-20-3-8-29-19/h3,8-10,12H,4-7,11H2,1-2H3,(H,20,23,26)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224752
PNG
(2-(4-Methoxy-phenyl)-3H-imidazo[4,5-b]pyridine | 2...)
Show SMILES COc1ccc(cc1)-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C13H11N3O/c1-17-10-6-4-9(5-7-10)12-15-11-3-2-8-14-13(11)16-12/h2-8H,1H3,(H,14,15,16)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224737
PNG
(CHEMBL237145 | N,N-dimethyl-4-(6-methyl-3H-imidazo...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(C)cc2[nH]1
Show InChI InChI=1S/C15H16N4/c1-10-8-13-15(16-9-10)18-14(17-13)11-4-6-12(7-5-11)19(2)3/h4-9H,1-3H3,(H,16,17,18)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224733
PNG
(CHEMBL391394 | N,N-dimethyl-4-(7-methyl-3H-imidazo...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2nccc(C)c2[nH]1
Show InChI InChI=1S/C15H16N4/c1-10-8-9-16-15-13(10)17-14(18-15)11-4-6-12(7-5-11)19(2)3/h4-9H,1-3H3,(H,16,17,18)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224753
PNG
(1-(3-(2-(4-(dimethylamino)phenyl)-3H-imidazo[4,5-b...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1cccc(c1)C(C)=O
Show InChI InChI=1S/C22H20N4O/c1-14(27)16-5-4-6-17(11-16)18-12-20-22(23-13-18)25-21(24-20)15-7-9-19(10-8-15)26(2)3/h4-13H,1-3H3,(H,23,24,25)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224748
PNG
(6,7-dimethoxy-4-(4-(naphthalen-1-ylmethyl)piperazi...)
Show SMILES COc1cc2ncnc(N3CCN(Cc4cccc5ccccc45)CC3)c2cc1OC
Show InChI InChI=1S/C25H26N4O2/c1-30-23-14-21-22(15-24(23)31-2)26-17-27-25(21)29-12-10-28(11-13-29)16-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,14-15,17H,10-13,16H2,1-2H3
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n/an/a 9.60E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50224734
PNG
(2-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-3H-imid...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
Show InChI InChI=1S/C23H25ClN8OS/c1-30(2)16-5-3-15(4-6-16)21-28-19-20(17(24)13-26-22(19)29-21)32-10-8-31(9-11-32)14-18(33)27-23-25-7-12-34-23/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,27,33)(H,26,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19 after 10 mins


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50224734
PNG
(2-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-3H-imid...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
Show InChI InChI=1S/C23H25ClN8OS/c1-30(2)16-5-3-15(4-6-16)21-28-19-20(17(24)13-26-22(19)29-21)32-10-8-31(9-11-32)14-18(33)27-23-25-7-12-34-23/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,27,33)(H,26,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human CYP2A6 after 10 mins


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224758
PNG
(3-(3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenz...)
Show SMILES CN(C)c1cccc(c1)-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C14H14N4/c1-18(2)11-6-3-5-10(9-11)13-16-12-7-4-8-15-14(12)17-13/h3-9H,1-2H3,(H,15,16,17)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50224734
PNG
(2-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-3H-imid...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
Show InChI InChI=1S/C23H25ClN8OS/c1-30(2)16-5-3-15(4-6-16)21-28-19-20(17(24)13-26-22(19)29-21)32-10-8-31(9-11-32)14-18(33)27-23-25-7-12-34-23/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,27,33)(H,26,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 after 10 mins


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50224734
PNG
(2-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-3H-imid...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
Show InChI InChI=1S/C23H25ClN8OS/c1-30(2)16-5-3-15(4-6-16)21-28-19-20(17(24)13-26-22(19)29-21)32-10-8-31(9-11-32)14-18(33)27-23-25-7-12-34-23/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,27,33)(H,26,28,29)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 after 10 mins


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50224734
PNG
(2-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-3H-imid...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
Show InChI InChI=1S/C23H25ClN8OS/c1-30(2)16-5-3-15(4-6-16)21-28-19-20(17(24)13-26-22(19)29-21)32-10-8-31(9-11-32)14-18(33)27-23-25-7-12-34-23/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,27,33)(H,26,28,29)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9 after 10 mins


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50224734
PNG
(2-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-3H-imid...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
Show InChI InChI=1S/C23H25ClN8OS/c1-30(2)16-5-3-15(4-6-16)21-28-19-20(17(24)13-26-22(19)29-21)32-10-8-31(9-11-32)14-18(33)27-23-25-7-12-34-23/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,27,33)(H,26,28,29)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 after 10 mins


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224739
PNG
(4-(3H-imidazo[4,5-c]pyridin-2-yl)-N,N-dimethylbenz...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2cc[nH]cc2n1
Show InChI InChI=1S/C14H14N4/c1-18(2)11-5-3-10(4-6-11)14-16-12-7-8-15-9-13(12)17-14/h3-9H,1-2H3,(H,16,17)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224743
PNG
(2-(3-methoxyphenyl)-3H-imidazo[4,5-b]pyridine | CH...)
Show SMILES COc1cccc(c1)-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C13H11N3O/c1-17-10-5-2-4-9(8-10)12-15-11-6-3-7-14-13(11)16-12/h2-8H,1H3,(H,14,15,16)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224746
PNG
(2-(4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl)...)
Show SMILES COc1cc2ncnc(N3CCN(CC(=O)N(C)c4ccccc4)CC3)c2cc1OC
Show InChI InChI=1S/C23H27N5O3/c1-26(17-7-5-4-6-8-17)22(29)15-27-9-11-28(12-10-27)23-18-13-20(30-2)21(31-3)14-19(18)24-16-25-23/h4-8,13-14,16H,9-12,15H2,1-3H3
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n/an/a 1.65E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224756
PNG
(3-(2-(4-(dimethylamino)phenyl)-3H-imidazo[4,5-b]py...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1cccc(O)c1
Show InChI InChI=1S/C20H18N4O/c1-24(2)16-8-6-13(7-9-16)19-22-18-11-15(12-21-20(18)23-19)14-4-3-5-17(25)10-14/h3-12,25H,1-2H3,(H,21,22,23)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224757
PNG
(4-(6-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-...)
Show SMILES COc1ccc(cc1)-c1cnc2nc([nH]c2c1)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H20N4O/c1-25(2)17-8-4-15(5-9-17)20-23-19-12-16(13-22-21(19)24-20)14-6-10-18(26-3)11-7-14/h4-13H,1-3H3,(H,22,23,24)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224741
PNG
(6,7-dimethoxy-4-(4-(1-phenylethyl)piperazin-1-yl)q...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(C)c3ccccc3)c2cc1OC |w:15.16|
Show InChI InChI=1S/C22H26N4O2/c1-16(17-7-5-4-6-8-17)25-9-11-26(12-10-25)22-18-13-20(27-2)21(28-3)14-19(18)23-15-24-22/h4-8,13-16H,9-12H2,1-3H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50045027
PNG
(2-(2-Methoxy-phenyl)-3H-imidazo[4,5-b]pyridine; hy...)
Show SMILES COc1ccccc1-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C13H11N3O/c1-17-11-7-3-2-5-9(11)12-15-10-6-4-8-14-13(10)16-12/h2-8H,1H3,(H,14,15,16)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224755
PNG
(6,7-dimethoxy-4-(4-(2-phenoxyethyl)piperazin-1-yl)...)
Show SMILES COc1cc2ncnc(N3CCN(CCOc4ccccc4)CC3)c2cc1OC
Show InChI InChI=1S/C22H26N4O3/c1-27-20-14-18-19(15-21(20)28-2)23-16-24-22(18)26-10-8-25(9-11-26)12-13-29-17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224732
PNG
(4-(4-(4-fluorobenzyl)piperazin-1-yl)-6,7-dimethoxy...)
Show SMILES COc1cc2ncnc(N3CCN(Cc4ccc(F)cc4)CC3)c2cc1OC
Show InChI InChI=1S/C21H23FN4O2/c1-27-19-11-17-18(12-20(19)28-2)23-14-24-21(17)26-9-7-25(8-10-26)13-15-3-5-16(22)6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224747
PNG
(6,7-dimethoxy-4-(4-phenethylpiperazin-1-yl)quinazo...)
Show SMILES COc1cc2ncnc(N3CCN(CCc4ccccc4)CC3)c2cc1OC
Show InChI InChI=1S/C22H26N4O2/c1-27-20-14-18-19(15-21(20)28-2)23-16-24-22(18)26-12-10-25(11-13-26)9-8-17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3
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n/an/a 7.60E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224744
PNG
(2-(4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl)...)
Show SMILES COc1cc2ncnc(N3CCN(CC(=O)N4CCCC4)CC3)c2cc1OC
Show InChI InChI=1S/C20H27N5O3/c1-27-17-11-15-16(12-18(17)28-2)21-14-22-20(15)25-9-7-23(8-10-25)13-19(26)24-5-3-4-6-24/h11-12,14H,3-10,13H2,1-2H3
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n/an/a 9.80E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%