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PubMed code 25812967

Compile data set for download or QSAR
Found 6 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))
BDBM50079534
PNG
(CHEMBL3417325)
Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(Br)c(NC3CCCC3)n2)cc1
Show InChI InChI=1S/C22H29BrN6O/c1-29-12-10-18(11-13-29)26-21(30)15-6-8-17(9-7-15)27-22-24-14-19(23)20(28-22)25-16-4-2-3-5-16/h6-9,14,16,18H,2-5,10-13H2,1H3,(H,26,30)(H2,24,25,27,28)
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n/an/a 12n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A in human HeLa cells after 12 hrs by ELISA method


Eur J Med Chem 95: 174-84 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.044
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50079535
PNG
(CHEMBL3417327)
Show SMILES COc1cc(ccc1Nc1ncc(F)c(NC2CCCC2)n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C23H31FN6O2/c1-30-11-9-17(10-12-30)27-22(31)15-7-8-19(20(13-15)32-2)28-23-25-14-18(24)21(29-23)26-16-5-3-4-6-16/h7-8,13-14,16-17H,3-6,9-12H2,1-2H3,(H,27,31)(H2,25,26,28,29)
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n/an/a 43n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A in human HeLa cells after 12 hrs by ELISA method


Eur J Med Chem 95: 174-84 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.044
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004205
PNG
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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PC sid
UniChem
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PubMed
n/an/a 261n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A in human HeLa cells after 12 hrs by ELISA method


Eur J Med Chem 95: 174-84 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.044
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50079535
PNG
(CHEMBL3417327)
Show SMILES COc1cc(ccc1Nc1ncc(F)c(NC2CCCC2)n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C23H31FN6O2/c1-30-11-9-17(10-12-30)27-22(31)15-7-8-19(20(13-15)32-2)28-23-25-14-18(24)21(29-23)26-16-5-3-4-6-16/h7-8,13-14,16-17H,3-6,9-12H2,1-2H3,(H,27,31)(H2,25,26,28,29)
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n/an/a 395n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HeLa cells after 12 hrs by ELISA method


Eur J Med Chem 95: 174-84 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.044
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50079534
PNG
(CHEMBL3417325)
Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(Br)c(NC3CCCC3)n2)cc1
Show InChI InChI=1S/C22H29BrN6O/c1-29-12-10-18(11-13-29)26-21(30)15-6-8-17(9-7-15)27-22-24-14-19(23)20(28-22)25-16-4-2-3-5-16/h6-9,14,16,18H,2-5,10-13H2,1H3,(H,26,30)(H2,24,25,27,28)
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n/an/a 430n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HeLa cells after 12 hrs by ELISA method


Eur J Med Chem 95: 174-84 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.044
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50004205
PNG
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 453n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HeLa cells after 12 hrs by ELISA method


Eur J Med Chem 95: 174-84 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.044
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%