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PubMed code 17665890

Compile data set for download or QSAR
Found 60 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
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 200n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O |(1.71,2.82,;2.18,1.35,;3.65,.86,;3.62,-.68,;4.77,-1.7,;4.44,-3.2,;2.97,-3.66,;1.85,-2.62,;2.18,-1.13,;1.27,.12,;-.27,.12,;-1.18,-1.12,;-2.65,-.64,;-3.96,-1.41,;-5.29,-.64,;-5.29,.9,;-3.96,1.68,;-2.63,.9,;-1.16,1.38,;-.69,2.84,;-1.7,3.98,)|
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 300n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50191421
PNG
(3-(3-(methoxyimino)indolin-2-ylidene)indolin-2-one...)
Show SMILES CO\N=C1/C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C17H13N3O2/c1-22-20-15-11-7-3-5-9-13(11)18-16(15)14-10-6-2-4-8-12(10)19-17(14)21/h2-9,19,21H,1H3/b20-15-
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n/an/a 400n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50191398
PNG
((2'Z,3'E)-7-iodoindirubin-3'-oxime | CHEMBL209648)
Show SMILES Oc1[nH]c2c(I)cccc2c1-c1[nH]c2ccccc2c1N=O |(26.57,-40.82,;27.04,-39.35,;28.5,-38.87,;28.49,-37.34,;29.64,-36.32,;31.1,-36.79,;29.32,-34.82,;27.85,-34.35,;26.72,-35.37,;27.04,-36.86,;26.14,-38.11,;24.6,-38.11,;23.69,-39.38,;22.21,-38.9,;20.87,-39.67,;19.53,-38.9,;19.53,-37.35,;20.87,-36.58,;22.2,-37.35,;23.68,-36.86,;24.15,-35.38,;23.11,-34.25,)|
Show InChI InChI=1S/C16H10IN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 600n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 600n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50191405
PNG
((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834)
Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O |(-1.26,-17.11,;-.79,-15.64,;.68,-15.16,;.67,-13.63,;1.81,-12.6,;3.27,-13.08,;1.49,-11.1,;.02,-10.63,;-1.11,-11.66,;-.79,-13.15,;-1.69,-14.4,;-3.23,-14.4,;-4.14,-15.67,;-5.62,-15.19,;-6.96,-15.96,;-8.3,-15.19,;-8.3,-13.64,;-6.96,-12.87,;-5.63,-13.63,;-4.15,-13.15,;-3.67,-11.68,;-4.97,-10.17,)|
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 700n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50024792
PNG
(CHEMBL209849 | Indirubin-3-Acetoxime)
Show SMILES CC(=O)O\N=C1/C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12 |c:6|
Show InChI InChI=1S/C18H13N3O3/c1-10(22)24-21-16-12-7-3-5-9-14(12)19-17(16)15-11-6-2-4-8-13(11)20-18(15)23/h2-9,20,23H,1H3/b21-16-
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n/an/a 700n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 900n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50191418
PNG
((2'Z,3'E)-7-chloroindirubin-3'-oxime | CHEMBL21365...)
Show SMILES Oc1[nH]c2c(Cl)cccc2c1-c1[nH]c2ccccc2c1N=O |(1.25,-3.25,;1.71,-1.79,;3.17,-1.31,;3.18,.23,;4.31,1.25,;5.78,.77,;3.99,2.75,;2.53,3.23,;1.39,2.2,;1.71,.71,;.81,-.54,;-.75,-.54,;-1.65,-1.79,;-3.12,-1.32,;-4.45,-2.1,;-5.79,-1.33,;-5.79,.22,;-4.46,.99,;-3.12,.22,;-1.66,.7,;-1.17,2.18,;-2.26,3.27,)|
Show InChI InChI=1S/C16H10ClN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 900n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50218900
PNG
(7-fluoroindirubin-3-acetoxime | CHEMBL243985)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2F |w:6.6,4.3|
Show InChI InChI=1S/C18H12FN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,20H,1H3,(H,21,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50191448
PNG
((2'Z,3'E)-7-fluoroindirubin-3'-oxime | CHEMBL21217...)
Show SMILES Oc1[nH]c2c(F)cccc2c1-c1[nH]c2ccccc2c1N=O |(1.25,-3.26,;1.73,-1.79,;3.19,-1.31,;3.18,.22,;4.32,1.24,;5.79,.77,;4,2.75,;2.53,3.22,;1.4,2.19,;1.72,.7,;.82,-.55,;-.72,-.55,;-1.62,-1.82,;-3.11,-1.34,;-4.45,-2.11,;-5.79,-1.34,;-5.78,.21,;-4.45,.98,;-3.11,.22,;-1.63,.7,;-1.16,2.17,;-2.25,3.26,)|
Show InChI InChI=1S/C16H10FN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50191448
PNG
((2'Z,3'E)-7-fluoroindirubin-3'-oxime | CHEMBL21217...)
Show SMILES Oc1[nH]c2c(F)cccc2c1-c1[nH]c2ccccc2c1N=O |(1.25,-3.26,;1.73,-1.79,;3.19,-1.31,;3.18,.22,;4.32,1.24,;5.79,.77,;4,2.75,;2.53,3.22,;1.4,2.19,;1.72,.7,;.82,-.55,;-.72,-.55,;-1.62,-1.82,;-3.11,-1.34,;-4.45,-2.11,;-5.79,-1.34,;-5.78,.21,;-4.45,.98,;-3.11,.22,;-1.63,.7,;-1.16,2.17,;-2.25,3.26,)|
Show InChI InChI=1S/C16H10FN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50024792
PNG
(CHEMBL209849 | Indirubin-3-Acetoxime)
Show SMILES CC(=O)O\N=C1/C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12 |c:6|
Show InChI InChI=1S/C18H13N3O3/c1-10(22)24-21-16-12-7-3-5-9-14(12)19-17(16)15-11-6-2-4-8-13(11)20-18(15)23/h2-9,20,23H,1H3/b21-16-
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O |(1.71,2.82,;2.18,1.35,;3.65,.86,;3.62,-.68,;4.77,-1.7,;4.44,-3.2,;2.97,-3.66,;1.85,-2.62,;2.18,-1.13,;1.27,.12,;-.27,.12,;-1.18,-1.12,;-2.65,-.64,;-3.96,-1.41,;-5.29,-.64,;-5.29,.9,;-3.96,1.68,;-2.63,.9,;-1.16,1.38,;-.69,2.84,;-1.7,3.98,)|
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50024792
PNG
(CHEMBL209849 | Indirubin-3-Acetoxime)
Show SMILES CC(=O)O\N=C1/C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12 |c:6|
Show InChI InChI=1S/C18H13N3O3/c1-10(22)24-21-16-12-7-3-5-9-14(12)19-17(16)15-11-6-2-4-8-13(11)20-18(15)23/h2-9,20,23H,1H3/b21-16-
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50191421
PNG
(3-(3-(methoxyimino)indolin-2-ylidene)indolin-2-one...)
Show SMILES CO\N=C1/C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C17H13N3O2/c1-22-20-15-11-7-3-5-9-13(11)18-16(15)14-10-6-2-4-8-12(10)19-17(14)21/h2-9,19,21H,1H3/b20-15-
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O |(1.71,2.82,;2.18,1.35,;3.65,.86,;3.62,-.68,;4.77,-1.7,;4.44,-3.2,;2.97,-3.66,;1.85,-2.62,;2.18,-1.13,;1.27,.12,;-.27,.12,;-1.18,-1.12,;-2.65,-.64,;-3.96,-1.41,;-5.29,-.64,;-5.29,.9,;-3.96,1.68,;-2.63,.9,;-1.16,1.38,;-.69,2.84,;-1.7,3.98,)|
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50191421
PNG
(3-(3-(methoxyimino)indolin-2-ylidene)indolin-2-one...)
Show SMILES CO\N=C1/C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C17H13N3O2/c1-22-20-15-11-7-3-5-9-13(11)18-16(15)14-10-6-2-4-8-12(10)19-17(14)21/h2-9,19,21H,1H3/b20-15-
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50218897
PNG
(7-bromoindirubin-3-acetoxime | CHEMBL395766)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2Br |w:6.6,4.3|
Show InChI InChI=1S/C18H12BrN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,20H,1H3,(H,21,24)
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50191405
PNG
((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834)
Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O |(-1.26,-17.11,;-.79,-15.64,;.68,-15.16,;.67,-13.63,;1.81,-12.6,;3.27,-13.08,;1.49,-11.1,;.02,-10.63,;-1.11,-11.66,;-.79,-13.15,;-1.69,-14.4,;-3.23,-14.4,;-4.14,-15.67,;-5.62,-15.19,;-6.96,-15.96,;-8.3,-15.19,;-8.3,-13.64,;-6.96,-12.87,;-5.63,-13.63,;-4.15,-13.15,;-3.67,-11.68,;-4.97,-10.17,)|
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50191448
PNG
((2'Z,3'E)-7-fluoroindirubin-3'-oxime | CHEMBL21217...)
Show SMILES Oc1[nH]c2c(F)cccc2c1-c1[nH]c2ccccc2c1N=O |(1.25,-3.26,;1.73,-1.79,;3.19,-1.31,;3.18,.22,;4.32,1.24,;5.79,.77,;4,2.75,;2.53,3.22,;1.4,2.19,;1.72,.7,;.82,-.55,;-.72,-.55,;-1.62,-1.82,;-3.11,-1.34,;-4.45,-2.11,;-5.79,-1.34,;-5.78,.21,;-4.45,.98,;-3.11,.22,;-1.63,.7,;-1.16,2.17,;-2.25,3.26,)|
Show InChI InChI=1S/C16H10FN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50218900
PNG
(7-fluoroindirubin-3-acetoxime | CHEMBL243985)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2F |w:6.6,4.3|
Show InChI InChI=1S/C18H12FN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,20H,1H3,(H,21,24)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50191418
PNG
((2'Z,3'E)-7-chloroindirubin-3'-oxime | CHEMBL21365...)
Show SMILES Oc1[nH]c2c(Cl)cccc2c1-c1[nH]c2ccccc2c1N=O |(1.25,-3.25,;1.71,-1.79,;3.17,-1.31,;3.18,.23,;4.31,1.25,;5.78,.77,;3.99,2.75,;2.53,3.23,;1.39,2.2,;1.71,.71,;.81,-.54,;-.75,-.54,;-1.65,-1.79,;-3.12,-1.32,;-4.45,-2.1,;-5.79,-1.33,;-5.79,.22,;-4.46,.99,;-3.12,.22,;-1.66,.7,;-1.17,2.18,;-2.26,3.27,)|
Show InChI InChI=1S/C16H10ClN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50191398
PNG
((2'Z,3'E)-7-iodoindirubin-3'-oxime | CHEMBL209648)
Show SMILES Oc1[nH]c2c(I)cccc2c1-c1[nH]c2ccccc2c1N=O |(26.57,-40.82,;27.04,-39.35,;28.5,-38.87,;28.49,-37.34,;29.64,-36.32,;31.1,-36.79,;29.32,-34.82,;27.85,-34.35,;26.72,-35.37,;27.04,-36.86,;26.14,-38.11,;24.6,-38.11,;23.69,-39.38,;22.21,-38.9,;20.87,-39.67,;19.53,-38.9,;19.53,-37.35,;20.87,-36.58,;22.2,-37.35,;23.68,-36.86,;24.15,-35.38,;23.11,-34.25,)|
Show InChI InChI=1S/C16H10IN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50218900
PNG
(7-fluoroindirubin-3-acetoxime | CHEMBL243985)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2F |w:6.6,4.3|
Show InChI InChI=1S/C18H12FN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,20H,1H3,(H,21,24)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50218897
PNG
(7-bromoindirubin-3-acetoxime | CHEMBL395766)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2Br |w:6.6,4.3|
Show InChI InChI=1S/C18H12BrN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,20H,1H3,(H,21,24)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50218891
PNG
(7-iodoindirubin-3-acetoxime | CHEMBL395077)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2I |w:6.6,4.3|
Show InChI InChI=1S/C18H12IN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,20H,1H3,(H,21,24)
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50218903
PNG
(7-iodoindirubin-3-methoxime | CHEMBL244191)
Show SMILES CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2I
Show InChI InChI=1S/C17H12IN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,19H,1H3,(H,20,22)/b16-13-,21-15-
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50218891
PNG
(7-iodoindirubin-3-acetoxime | CHEMBL395077)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2I |w:6.6,4.3|
Show InChI InChI=1S/C18H12IN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,20H,1H3,(H,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50218903
PNG
(7-iodoindirubin-3-methoxime | CHEMBL244191)
Show SMILES CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2I
Show InChI InChI=1S/C17H12IN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,19H,1H3,(H,20,22)/b16-13-,21-15-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50191440
PNG
((2'Z)-7-bromoindirubin | CHEMBL214173)
Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2C1=O |t:13|
Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,19,21H
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50218891
PNG
(7-iodoindirubin-3-acetoxime | CHEMBL395077)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2I |w:6.6,4.3|
Show InChI InChI=1S/C18H12IN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,20H,1H3,(H,21,24)
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50218887
PNG
(7-chloroindirubin-3-methoxime | CHEMBL243776)
Show SMILES CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2Cl
Show InChI InChI=1S/C17H12ClN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,19H,1H3,(H,20,22)/b16-13-,21-15-
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50218902
PNG
(7-bromoindirubin-3-methoxime | CHEMBL243556)
Show SMILES CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2Br
Show InChI InChI=1S/C17H12BrN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,19H,1H3,(H,20,22)/b16-13-,21-15-
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50191449
PNG
((2'Z)-7-iodoindirubin | CHEMBL379160)
Show SMILES Oc1[nH]c2c(I)cccc2c1C1=Nc2ccccc2C1=O |t:13|
Show InChI InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,19,21H
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50191405
PNG
((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834)
Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O |(-1.26,-17.11,;-.79,-15.64,;.68,-15.16,;.67,-13.63,;1.81,-12.6,;3.27,-13.08,;1.49,-11.1,;.02,-10.63,;-1.11,-11.66,;-.79,-13.15,;-1.69,-14.4,;-3.23,-14.4,;-4.14,-15.67,;-5.62,-15.19,;-6.96,-15.96,;-8.3,-15.19,;-8.3,-13.64,;-6.96,-12.87,;-5.63,-13.63,;-4.15,-13.15,;-3.67,-11.68,;-4.97,-10.17,)|
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50024791
PNG
((2''Z)-7-Fluoroindirubin | 7-Fluoroindirubin | CHE...)
Show SMILES Oc1[nH]c2c(F)cccc2c1C1=Nc2ccccc2C1=O |t:13|
Show InChI InChI=1S/C16H9FN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,19,21H
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50191440
PNG
((2'Z)-7-bromoindirubin | CHEMBL214173)
Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2C1=O |t:13|
Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,19,21H
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50191398
PNG
((2'Z,3'E)-7-iodoindirubin-3'-oxime | CHEMBL209648)
Show SMILES Oc1[nH]c2c(I)cccc2c1-c1[nH]c2ccccc2c1N=O |(26.57,-40.82,;27.04,-39.35,;28.5,-38.87,;28.49,-37.34,;29.64,-36.32,;31.1,-36.79,;29.32,-34.82,;27.85,-34.35,;26.72,-35.37,;27.04,-36.86,;26.14,-38.11,;24.6,-38.11,;23.69,-39.38,;22.21,-38.9,;20.87,-39.67,;19.53,-38.9,;19.53,-37.35,;20.87,-36.58,;22.2,-37.35,;23.68,-36.86,;24.15,-35.38,;23.11,-34.25,)|
Show InChI InChI=1S/C16H10IN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50218887
PNG
(7-chloroindirubin-3-methoxime | CHEMBL243776)
Show SMILES CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2Cl
Show InChI InChI=1S/C17H12ClN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,19H,1H3,(H,20,22)/b16-13-,21-15-
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50218902
PNG
(7-bromoindirubin-3-methoxime | CHEMBL243556)
Show SMILES CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2Br
Show InChI InChI=1S/C17H12BrN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,19H,1H3,(H,20,22)/b16-13-,21-15-
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50191445
PNG
((2'Z)-7-chloroindirubin | CHEMBL378191)
Show SMILES Oc1[nH]c2c(Cl)cccc2c1C1=Nc2ccccc2C1=O |t:13|
Show InChI InChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,19,21H
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50218886
PNG
(7-chloroindirubin-3-acetoxime | CHEMBL397719)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2Cl |w:6.6,4.3|
Show InChI InChI=1S/C18H12ClN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,20H,1H3,(H,21,24)
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50218887
PNG
(7-chloroindirubin-3-methoxime | CHEMBL243776)
Show SMILES CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2Cl
Show InChI InChI=1S/C17H12ClN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,19H,1H3,(H,20,22)/b16-13-,21-15-
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50218901
PNG
(7-fluoroindirubin-3-methoxime | CHEMBL397720)
Show SMILES CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2F
Show InChI InChI=1S/C17H12FN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,19H,1H3,(H,20,22)/b16-13-,21-15-
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50191445
PNG
((2'Z)-7-chloroindirubin | CHEMBL378191)
Show SMILES Oc1[nH]c2c(Cl)cccc2c1C1=Nc2ccccc2C1=O |t:13|
Show InChI InChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,19,21H
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50218903
PNG
(7-iodoindirubin-3-methoxime | CHEMBL244191)
Show SMILES CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2I
Show InChI InChI=1S/C17H12IN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,19H,1H3,(H,20,22)/b16-13-,21-15-
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50191449
PNG
((2'Z)-7-iodoindirubin | CHEMBL379160)
Show SMILES Oc1[nH]c2c(I)cccc2c1C1=Nc2ccccc2C1=O |t:13|
Show InChI InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,19,21H
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50191418
PNG
((2'Z,3'E)-7-chloroindirubin-3'-oxime | CHEMBL21365...)
Show SMILES Oc1[nH]c2c(Cl)cccc2c1-c1[nH]c2ccccc2c1N=O |(1.25,-3.25,;1.71,-1.79,;3.17,-1.31,;3.18,.23,;4.31,1.25,;5.78,.77,;3.99,2.75,;2.53,3.23,;1.39,2.2,;1.71,.71,;.81,-.54,;-.75,-.54,;-1.65,-1.79,;-3.12,-1.32,;-4.45,-2.1,;-5.79,-1.33,;-5.79,.22,;-4.46,.99,;-3.12,.22,;-1.66,.7,;-1.17,2.18,;-2.26,3.27,)|
Show InChI InChI=1S/C16H10ClN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50024791
PNG
((2''Z)-7-Fluoroindirubin | 7-Fluoroindirubin | CHE...)
Show SMILES Oc1[nH]c2c(F)cccc2c1C1=Nc2ccccc2C1=O |t:13|
Show InChI InChI=1S/C16H9FN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,19,21H
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50191449
PNG
((2'Z)-7-iodoindirubin | CHEMBL379160)
Show SMILES Oc1[nH]c2c(I)cccc2c1C1=Nc2ccccc2C1=O |t:13|
Show InChI InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,19,21H
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50218897
PNG
(7-bromoindirubin-3-acetoxime | CHEMBL395766)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2Br |w:6.6,4.3|
Show InChI InChI=1S/C18H12BrN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,20H,1H3,(H,21,24)
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50218901
PNG
(7-fluoroindirubin-3-methoxime | CHEMBL397720)
Show SMILES CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2F
Show InChI InChI=1S/C17H12FN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,19H,1H3,(H,20,22)/b16-13-,21-15-
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50218886
PNG
(7-chloroindirubin-3-acetoxime | CHEMBL397719)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2Cl |w:6.6,4.3|
Show InChI InChI=1S/C18H12ClN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,20H,1H3,(H,21,24)
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50024791
PNG
((2''Z)-7-Fluoroindirubin | 7-Fluoroindirubin | CHE...)
Show SMILES Oc1[nH]c2c(F)cccc2c1C1=Nc2ccccc2C1=O |t:13|
Show InChI InChI=1S/C16H9FN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,19,21H
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50191440
PNG
((2'Z)-7-bromoindirubin | CHEMBL214173)
Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2C1=O |t:13|
Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,19,21H
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50218901
PNG
(7-fluoroindirubin-3-methoxime | CHEMBL397720)
Show SMILES CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2F
Show InChI InChI=1S/C17H12FN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,19H,1H3,(H,20,22)/b16-13-,21-15-
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50218902
PNG
(7-bromoindirubin-3-methoxime | CHEMBL243556)
Show SMILES CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2Br
Show InChI InChI=1S/C17H12BrN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,19H,1H3,(H,20,22)/b16-13-,21-15-
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50218886
PNG
(7-chloroindirubin-3-acetoxime | CHEMBL397719)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2Cl |w:6.6,4.3|
Show InChI InChI=1S/C18H12ClN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,20H,1H3,(H,21,24)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50191445
PNG
((2'Z)-7-chloroindirubin | CHEMBL378191)
Show SMILES Oc1[nH]c2c(Cl)cccc2c1C1=Nc2ccccc2C1=O |t:13|
Show InChI InChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,19,21H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%