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Compile Data Set for Download or QSAR

Found 7 hits of ec50 for UniProtKB: O14965   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase A


(Homo sapiens (Human))
BDBM50453822
PNG
(CHEMBL3969370)
Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(NC(=O)c4ccc(NC(=O)C=C)cc4)cc3)nc12
Show InChI InChI=1S/C30H27N7O3/c1-5-26(38)32-20-9-7-19(8-10-20)28(39)33-21-11-13-22(14-12-21)34-30-31-17-25-27(35-30)36(3)24-15-6-18(2)16-23(24)29(40)37(25)4/h5-17H,1H2,2-4H3,(H,32,38)(H,33,39)(H,31,34,35)
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n/an/an/an/a 5.80n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Aurora A auto-phosphorylation in human HCT116 cells after 4 hrs by Western blot analysis


Bioorg Med Chem Lett 27: 4405-4408 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.016
BindingDB Entry DOI: 10.7270/Q2WQ06CB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50453821
PNG
(CHEMBL4206831)
Show SMILES CCC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(Nc2ncc3N(C)C(=O)c4cc(C)ccc4N(C)c3n2)cc1
Show InChI InChI=1S/C30H29N7O3/c1-5-26(38)32-20-9-7-19(8-10-20)28(39)33-21-11-13-22(14-12-21)34-30-31-17-25-27(35-30)36(3)24-15-6-18(2)16-23(24)29(40)37(25)4/h6-17H,5H2,1-4H3,(H,32,38)(H,33,39)(H,31,34,35)
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n/an/an/an/a 38n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Aurora A auto-phosphorylation in human HCT116 cells after 4 hrs by Western blot analysis


Bioorg Med Chem Lett 27: 4405-4408 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.016
BindingDB Entry DOI: 10.7270/Q2WQ06CB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM50059435
PNG
(CHEMBL3393498)
Show SMILES CCOC(=O)c1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:10|
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n/an/an/an/a 106n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Aurora A auto-phosphorylation in human HCT116 cells after 4 hrs by Western blot analysis


Bioorg Med Chem Lett 27: 4405-4408 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.016
BindingDB Entry DOI: 10.7270/Q2WQ06CB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM50073587
PNG
(CHEMBL3408947 | US10358436, Example A185 | US20230...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1 |r|
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n/an/an/an/a 510n/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of AURKA (unknown origin)


Eur J Med Chem 95: 35-40 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.020
BindingDB Entry DOI: 10.7270/Q2NG4SBV
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50073587
PNG
(CHEMBL3408947 | US10358436, Example A185 | US20230...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1 |r|
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n/an/an/an/a 510n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of AURKA (unknown origin) by cell-based assay


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50081537
PNG
(CHEMBL3422092)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CC1)c1ccccn1 |r,@:7|
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n/an/an/an/a>6.00E+3n/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of AURKA (unknown origin) transfected in human HCT116 cells after 4 hrs by near infrared imager analysis


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198027
PNG
(CHEMBL3921246)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C
Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24-
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n/an/an/an/a 6.00E+3n/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora A kinase in human HeLa Kyoto cells assessed as induction of defective chromosome alignment during metaphase incubated for 20 hrs


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)