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PubMed code 23279802

Compile data set for download or QSAR
Found 15 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))
BDBM92873
PNG
(4-Aminoquinazoline derivative, 6h)
Show SMILES CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN5CCCC5)ccc34)ccc12
Show InChI InChI=1S/C26H28N4O3S/c1-2-32-26(31)22-16-34-24-14-18(6-8-20(22)24)29-25-21-9-7-19(15-23(21)27-17-28-25)33-13-5-12-30-10-3-4-11-30/h6-9,14-17H,2-5,10-13H2,1H3,(H,27,28,29)
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n/an/a 62n/an/an/an/an/an/a



Southeast University



Assay Description
The kinase assay of Aurora A and B was measured using HTRF-kinEASE-STK discovery kit purchased from Cisbio.


Chem Biol Drug Des 81: 399-407 (2013)


Article DOI: 10.1111/cbdd.12089
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM92870
PNG
(4-Aminoquinazoline derivative, 6d)
Show SMILES Cc1ccc(Nc2ncnc3cc(OCCCN4CCCC4)ccc23)cc1Nc1ncc(cn1)-c1cccnc1
Show InChI InChI=1S/C31H32N8O/c1-22-7-8-25(16-28(22)38-31-33-19-24(20-34-31)23-6-4-11-32-18-23)37-30-27-10-9-26(17-29(27)35-21-36-30)40-15-5-14-39-12-2-3-13-39/h4,6-11,16-21H,2-3,5,12-15H2,1H3,(H,33,34,38)(H,35,36,37)
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n/an/a 77n/an/an/an/an/an/a



Southeast University



Assay Description
The kinase assay of Aurora A and B was measured using HTRF-kinEASE-STK discovery kit purchased from Cisbio.


Chem Biol Drug Des 81: 399-407 (2013)


Article DOI: 10.1111/cbdd.12089
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM92869
PNG
(4-Aminoquinazoline derivative, 6c)
Show SMILES CCN(CC)CCCOc1ccc2c(Nc3ccc(C)c(Nc4ncc(cn4)-c4cccnc4)c3)ncnc2c1
Show InChI InChI=1S/C31H34N8O/c1-4-39(5-2)14-7-15-40-26-11-12-27-29(17-26)35-21-36-30(27)37-25-10-9-22(3)28(16-25)38-31-33-19-24(20-34-31)23-8-6-13-32-18-23/h6,8-13,16-21H,4-5,7,14-15H2,1-3H3,(H,33,34,38)(H,35,36,37)
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n/an/a 98n/an/an/an/an/an/a



Southeast University



Assay Description
The kinase assay of Aurora A and B was measured using HTRF-kinEASE-STK discovery kit purchased from Cisbio.


Chem Biol Drug Des 81: 399-407 (2013)


Article DOI: 10.1111/cbdd.12089
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM92871
PNG
(4-Aminoquinazoline derivative, 6f)
Show SMILES CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN5CCN(C)CC5)ccc34)ccc12
Show InChI InChI=1S/C27H31N5O3S/c1-3-34-27(33)23-17-36-25-15-19(5-7-21(23)25)30-26-22-8-6-20(16-24(22)28-18-29-26)35-14-4-9-32-12-10-31(2)11-13-32/h5-8,15-18H,3-4,9-14H2,1-2H3,(H,28,29,30)
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n/an/a 111n/an/an/an/an/an/a



Southeast University



Assay Description
The kinase assay of Aurora A and B was measured using HTRF-kinEASE-STK discovery kit purchased from Cisbio.


Chem Biol Drug Des 81: 399-407 (2013)


Article DOI: 10.1111/cbdd.12089
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM92871
PNG
(4-Aminoquinazoline derivative, 6f)
Show SMILES CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN5CCN(C)CC5)ccc34)ccc12
Show InChI InChI=1S/C27H31N5O3S/c1-3-34-27(33)23-17-36-25-15-19(5-7-21(23)25)30-26-22-8-6-20(16-24(22)28-18-29-26)35-14-4-9-32-12-10-31(2)11-13-32/h5-8,15-18H,3-4,9-14H2,1-2H3,(H,28,29,30)
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n/an/a 136n/an/an/an/an/an/a



Southeast University



Assay Description
The kinase assay of Aurora A and B was measured using HTRF-kinEASE-STK discovery kit purchased from Cisbio.


Chem Biol Drug Des 81: 399-407 (2013)


Article DOI: 10.1111/cbdd.12089
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM92870
PNG
(4-Aminoquinazoline derivative, 6d)
Show SMILES Cc1ccc(Nc2ncnc3cc(OCCCN4CCCC4)ccc23)cc1Nc1ncc(cn1)-c1cccnc1
Show InChI InChI=1S/C31H32N8O/c1-22-7-8-25(16-28(22)38-31-33-19-24(20-34-31)23-6-4-11-32-18-23)37-30-27-10-9-26(17-29(27)35-21-36-30)40-15-5-14-39-12-2-3-13-39/h4,6-11,16-21H,2-3,5,12-15H2,1H3,(H,33,34,38)(H,35,36,37)
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n/an/a 145n/an/an/an/an/an/a



Southeast University



Assay Description
The kinase assay of Aurora A and B was measured using HTRF-kinEASE-STK discovery kit purchased from Cisbio.


Chem Biol Drug Des 81: 399-407 (2013)


Article DOI: 10.1111/cbdd.12089
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM92873
PNG
(4-Aminoquinazoline derivative, 6h)
Show SMILES CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN5CCCC5)ccc34)ccc12
Show InChI InChI=1S/C26H28N4O3S/c1-2-32-26(31)22-16-34-24-14-18(6-8-20(22)24)29-25-21-9-7-19(15-23(21)27-17-28-25)33-13-5-12-30-10-3-4-11-30/h6-9,14-17H,2-5,10-13H2,1H3,(H,27,28,29)
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n/an/a 146n/an/an/an/an/an/a



Southeast University



Assay Description
The kinase assay of Aurora A and B was measured using HTRF-kinEASE-STK discovery kit purchased from Cisbio.


Chem Biol Drug Des 81: 399-407 (2013)


Article DOI: 10.1111/cbdd.12089
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM92867
PNG
(4-Aminoquinazoline derivative, 6a)
Show SMILES Cc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cc1Nc1ncc(cn1)-c1cccnc1
Show InChI InChI=1S/C31H32N8O2/c1-22-5-6-25(16-28(22)38-31-33-19-24(20-34-31)23-4-2-9-32-18-23)37-30-27-8-7-26(17-29(27)35-21-36-30)41-13-3-10-39-11-14-40-15-12-39/h2,4-9,16-21H,3,10-15H2,1H3,(H,33,34,38)(H,35,36,37)
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n/an/a 179n/an/an/an/an/an/a



Southeast University



Assay Description
The kinase assay of Aurora A and B was measured using HTRF-kinEASE-STK discovery kit purchased from Cisbio.


Chem Biol Drug Des 81: 399-407 (2013)


Article DOI: 10.1111/cbdd.12089
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM92867
PNG
(4-Aminoquinazoline derivative, 6a)
Show SMILES Cc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cc1Nc1ncc(cn1)-c1cccnc1
Show InChI InChI=1S/C31H32N8O2/c1-22-5-6-25(16-28(22)38-31-33-19-24(20-34-31)23-4-2-9-32-18-23)37-30-27-8-7-26(17-29(27)35-21-36-30)41-13-3-10-39-11-14-40-15-12-39/h2,4-9,16-21H,3,10-15H2,1H3,(H,33,34,38)(H,35,36,37)
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n/an/a 191n/an/an/an/an/an/a



Southeast University



Assay Description
The kinase assay of Aurora A and B was measured using HTRF-kinEASE-STK discovery kit purchased from Cisbio.


Chem Biol Drug Des 81: 399-407 (2013)


Article DOI: 10.1111/cbdd.12089
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM92869
PNG
(4-Aminoquinazoline derivative, 6c)
Show SMILES CCN(CC)CCCOc1ccc2c(Nc3ccc(C)c(Nc4ncc(cn4)-c4cccnc4)c3)ncnc2c1
Show InChI InChI=1S/C31H34N8O/c1-4-39(5-2)14-7-15-40-26-11-12-27-29(17-26)35-21-36-30(27)37-25-10-9-22(3)28(16-25)38-31-33-19-24(20-34-31)23-8-6-13-32-18-23/h6,8-13,16-21H,4-5,7,14-15H2,1-3H3,(H,33,34,38)(H,35,36,37)
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n/an/a 202n/an/an/an/an/an/a



Southeast University



Assay Description
The kinase assay of Aurora A and B was measured using HTRF-kinEASE-STK discovery kit purchased from Cisbio.


Chem Biol Drug Des 81: 399-407 (2013)


Article DOI: 10.1111/cbdd.12089
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM92868
PNG
(4-Aminoquinazoline derivative, 6b)
Show SMILES Cc1ccc(Nc2ncnc3cc(OCCCN4CCCCC4)ccc23)cc1Nc1ncc(cn1)-c1cccnc1
Show InChI InChI=1S/C32H34N8O/c1-23-8-9-26(17-29(23)39-32-34-20-25(21-35-32)24-7-5-12-33-19-24)38-31-28-11-10-27(18-30(28)36-22-37-31)41-16-6-15-40-13-3-2-4-14-40/h5,7-12,17-22H,2-4,6,13-16H2,1H3,(H,34,35,39)(H,36,37,38)
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n/an/a 323n/an/an/an/an/an/a



Southeast University



Assay Description
The kinase assay of Aurora A and B was measured using HTRF-kinEASE-STK discovery kit purchased from Cisbio.


Chem Biol Drug Des 81: 399-407 (2013)


Article DOI: 10.1111/cbdd.12089
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM92868
PNG
(4-Aminoquinazoline derivative, 6b)
Show SMILES Cc1ccc(Nc2ncnc3cc(OCCCN4CCCCC4)ccc23)cc1Nc1ncc(cn1)-c1cccnc1
Show InChI InChI=1S/C32H34N8O/c1-23-8-9-26(17-29(23)39-32-34-20-25(21-35-32)24-7-5-12-33-19-24)38-31-28-11-10-27(18-30(28)36-22-37-31)41-16-6-15-40-13-3-2-4-14-40/h5,7-12,17-22H,2-4,6,13-16H2,1H3,(H,34,35,39)(H,36,37,38)
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n/an/a 489n/an/an/an/an/an/a



Southeast University



Assay Description
The kinase assay of Aurora A and B was measured using HTRF-kinEASE-STK discovery kit purchased from Cisbio.


Chem Biol Drug Des 81: 399-407 (2013)


Article DOI: 10.1111/cbdd.12089
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM92874
PNG
(4-Aminoquinazoline derivative, 6i)
Show SMILES CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN(CC)CC)ccc34)ccc12
Show InChI InChI=1S/C26H30N4O3S/c1-4-30(5-2)12-7-13-33-19-9-11-21-23(15-19)27-17-28-25(21)29-18-8-10-20-22(26(31)32-6-3)16-34-24(20)14-18/h8-11,14-17H,4-7,12-13H2,1-3H3,(H,27,28,29)
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n/an/a 788n/an/an/an/an/an/a



Southeast University



Assay Description
The kinase assay of Aurora A and B was measured using HTRF-kinEASE-STK discovery kit purchased from Cisbio.


Chem Biol Drug Des 81: 399-407 (2013)


Article DOI: 10.1111/cbdd.12089
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM92872
PNG
(4-Aminoquinazoline derivative, 6g)
Show SMILES CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN5CCCCC5)ccc34)ccc12
Show InChI InChI=1S/C27H30N4O3S/c1-2-33-27(32)23-17-35-25-15-19(7-9-21(23)25)30-26-22-10-8-20(16-24(22)28-18-29-26)34-14-6-13-31-11-4-3-5-12-31/h7-10,15-18H,2-6,11-14H2,1H3,(H,28,29,30)
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n/an/a 822n/an/an/an/an/an/a



Southeast University



Assay Description
The kinase assay of Aurora A and B was measured using HTRF-kinEASE-STK discovery kit purchased from Cisbio.


Chem Biol Drug Des 81: 399-407 (2013)


Article DOI: 10.1111/cbdd.12089
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM92874
PNG
(4-Aminoquinazoline derivative, 6i)
Show SMILES CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN(CC)CC)ccc34)ccc12
Show InChI InChI=1S/C26H30N4O3S/c1-4-30(5-2)12-7-13-33-19-9-11-21-23(15-19)27-17-28-25(21)29-18-8-10-20-22(26(31)32-6-3)16-34-24(20)14-18/h8-11,14-17H,4-7,12-13H2,1-3H3,(H,27,28,29)
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n/an/a 893n/an/an/an/an/an/a



Southeast University



Assay Description
The kinase assay of Aurora A and B was measured using HTRF-kinEASE-STK discovery kit purchased from Cisbio.


Chem Biol Drug Des 81: 399-407 (2013)


Article DOI: 10.1111/cbdd.12089
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%