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PubMed code 21664013

Compile data set for download or QSAR
Found 8 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))
BDBM50353271
PNG
(CHEMBL1830670)
Show SMILES COc1ccc(cc1)-c1cc2ncc(c(-c3ccccc3)n2n1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H19N3O3S/c1-31-20-14-12-18(13-15-20)22-16-24-26-17-23(32(29,30)21-10-6-3-7-11-21)25(28(24)27-22)19-8-4-2-5-9-19/h2-17H,1H3
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n/an/a 25n/an/an/an/an/an/a



Umm Al-Qura University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins ...


Eur J Med Chem 46: 3690-5 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.033
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50353272
PNG
(CHEMBL1830673)
Show SMILES Brc1c(nn2c(-c3ccccc3)c(cnc12)S(=O)(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H16BrN3O2S/c25-21-22(17-10-4-1-5-11-17)27-28-23(18-12-6-2-7-13-18)20(16-26-24(21)28)31(29,30)19-14-8-3-9-15-19/h1-16H
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n/an/a 39n/an/an/an/an/an/a



Umm Al-Qura University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins ...


Eur J Med Chem 46: 3690-5 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.033
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM22984
PNG
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
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Article
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n/an/a 40n/an/an/an/an/an/a



Umm Al-Qura University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins ...


Eur J Med Chem 46: 3690-5 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.033
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50353273
PNG
(CHEMBL1830669)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2cc(nn2c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H17N3O2S/c28-30(29,20-14-8-3-9-15-20)22-17-25-23-16-21(18-10-4-1-5-11-18)26-27(23)24(22)19-12-6-2-7-13-19/h1-17H
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n/an/a 51n/an/an/an/an/an/a



Umm Al-Qura University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins ...


Eur J Med Chem 46: 3690-5 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.033
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50353274
PNG
(CHEMBL1830668)
Show SMILES Cc1cc2ncc(c(-c3ccccc3)n2n1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H15N3O2S/c1-14-12-18-20-13-17(25(23,24)16-10-6-3-7-11-16)19(22(18)21-14)15-8-4-2-5-9-15/h2-13H,1H3
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n/an/a 101n/an/an/an/an/an/a



Umm Al-Qura University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins ...


Eur J Med Chem 46: 3690-5 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.033
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50353275
PNG
(CHEMBL1830680)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2ncnn2c1-c1ccccc1
Show InChI InChI=1S/C17H12N4O2S/c22-24(23,14-9-5-2-6-10-14)15-11-18-17-19-12-20-21(17)16(15)13-7-3-1-4-8-13/h1-12H
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n/an/a 104n/an/an/an/an/an/a



Umm Al-Qura University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins ...


Eur J Med Chem 46: 3690-5 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.033
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50353276
PNG
(CHEMBL1830671)
Show SMILES Clc1ccc(cc1)-c1cc2ncc(c(-c3ccccc3)n2n1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H16ClN3O2S/c25-19-13-11-17(12-14-19)21-15-23-26-16-22(31(29,30)20-9-5-2-6-10-20)24(28(23)27-21)18-7-3-1-4-8-18/h1-16H
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n/an/a 120n/an/an/an/an/an/a



Umm Al-Qura University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins ...


Eur J Med Chem 46: 3690-5 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.033
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50353277
PNG
(CHEMBL1830681)
Show SMILES Clc1ccc(cc1)-c1c(cnc2ncnn12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H11ClN4O2S/c18-13-8-6-12(7-9-13)16-15(10-19-17-20-11-21-22(16)17)25(23,24)14-4-2-1-3-5-14/h1-11H
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n/an/a 9.24E+3n/an/an/an/an/an/a



Umm Al-Qura University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins ...


Eur J Med Chem 46: 3690-5 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.033
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%