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9 similar compounds to monomer 50326206

Compile data set for download or QSAR
Wt: 445.9
BDBM50326200
Wt: 445.9
BDBM50326201
Wt: 503.5
BDBM50326202
Wt: 503.5
BDBM50326203
Wt: 502.5
BDBM50326204
Wt: 502.5
BDBM50326205
Wt: 503.5
BDBM50326209
Wt: 506.5
BDBM50326210
Wt: 506.5
BDBM50326211

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50326200,50326201,50326202,50326203,50326204,50326205,50326209,50326210,50326211   
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 B


(Homo sapiens (Human))
BDBM50326205
PNG
(CHEMBL1243167 | N-(2-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)c(C)c1
Show InChI InChI=1S/C30H26N6O2/c1-20-19-22(38-29-24(12-8-17-32-29)27-16-18-33-30(31-2)36-27)14-15-25(20)35-28(37)23-11-6-7-13-26(23)34-21-9-4-3-5-10-21/h3-19,34H,1-2H3,(H,35,37)(H,31,33,36)
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n/an/a 110n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50326202
PNG
(CHEMBL1243042 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1C
Show InChI InChI=1S/C30H25N5O3/c1-20-19-21(34-28(36)24-11-6-7-13-27(24)37-22-9-4-3-5-10-22)14-15-26(20)38-29-23(12-8-17-32-29)25-16-18-33-30(31-2)35-25/h3-19H,1-2H3,(H,34,36)(H,31,33,35)
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n/an/an/an/a>1.20E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50326209
PNG
(CHEMBL1243108 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1C
Show InChI InChI=1S/C30H25N5O3/c1-20-19-22(34-28(36)21-10-13-24(14-11-21)37-23-7-4-3-5-8-23)12-15-27(20)38-29-25(9-6-17-32-29)26-16-18-33-30(31-2)35-26/h3-19H,1-2H3,(H,34,36)(H,31,33,35)
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n/an/a 542n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50326200
PNG
(3-Chloro-N-(3-methyl-4-(3-(2-(methylamino)pyrimidi...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(Cl)c2)cc1C
Show InChI InChI=1S/C24H20ClN5O2/c1-15-13-18(29-22(31)16-5-3-6-17(25)14-16)8-9-21(15)32-23-19(7-4-11-27-23)20-10-12-28-24(26-2)30-20/h3-14H,1-2H3,(H,29,31)(H,26,28,30)
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n/an/an/an/a>1.20E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50326200
PNG
(3-Chloro-N-(3-methyl-4-(3-(2-(methylamino)pyrimidi...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(Cl)c2)cc1C
Show InChI InChI=1S/C24H20ClN5O2/c1-15-13-18(29-22(31)16-5-3-6-17(25)14-16)8-9-21(15)32-23-19(7-4-11-27-23)20-10-12-28-24(26-2)30-20/h3-14H,1-2H3,(H,29,31)(H,26,28,30)
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n/an/a 430n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50326201
PNG
(4-Chloro-N-(3-methyl-4-(3-(2-(methylamino)pyrimidi...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1C
Show InChI InChI=1S/C24H20ClN5O2/c1-15-14-18(29-22(31)16-5-7-17(25)8-6-16)9-10-21(15)32-23-19(4-3-12-27-23)20-11-13-28-24(26-2)30-20/h3-14H,1-2H3,(H,29,31)(H,26,28,30)
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n/an/an/an/a>1.20E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50326201
PNG
(4-Chloro-N-(3-methyl-4-(3-(2-(methylamino)pyrimidi...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1C
Show InChI InChI=1S/C24H20ClN5O2/c1-15-14-18(29-22(31)16-5-7-17(25)8-6-16)9-10-21(15)32-23-19(4-3-12-27-23)20-11-13-28-24(26-2)30-20/h3-14H,1-2H3,(H,29,31)(H,26,28,30)
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n/an/a 335n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50326203
PNG
(CHEMBL1243073 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1C
Show InChI InChI=1S/C30H25N5O3/c1-20-18-22(34-28(36)21-8-6-11-24(19-21)37-23-9-4-3-5-10-23)13-14-27(20)38-29-25(12-7-16-32-29)26-15-17-33-30(31-2)35-26/h3-19H,1-2H3,(H,34,36)(H,31,33,35)
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n/an/a 251n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50326204
PNG
(CHEMBL1243137 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1C
Show InChI InChI=1S/C30H26N6O2/c1-20-19-22(35-28(37)23-11-6-7-13-25(23)34-21-9-4-3-5-10-21)14-15-27(20)38-29-24(12-8-17-32-29)26-16-18-33-30(31-2)36-26/h3-19,34H,1-2H3,(H,35,37)(H,31,33,36)
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n/an/a 17n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50326203
PNG
(CHEMBL1243073 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1C
Show InChI InChI=1S/C30H25N5O3/c1-20-18-22(34-28(36)21-8-6-11-24(19-21)37-23-9-4-3-5-10-23)13-14-27(20)38-29-25(12-7-16-32-29)26-15-17-33-30(31-2)35-26/h3-19H,1-2H3,(H,34,36)(H,31,33,35)
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n/an/an/an/a>1.20E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50326205
PNG
(CHEMBL1243167 | N-(2-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)c(C)c1
Show InChI InChI=1S/C30H26N6O2/c1-20-19-22(38-29-24(12-8-17-32-29)27-16-18-33-30(31-2)36-27)14-15-25(20)35-28(37)23-11-6-7-13-26(23)34-21-9-4-3-5-10-21/h3-19,34H,1-2H3,(H,35,37)(H,31,33,36)
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n/an/an/an/a 1.45E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50326211
PNG
(5-Fluoro-N-(4-(3-(2-(methylamino)pyrimidin-4-yl)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cc(F)ccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H23FN6O2/c1-31-29-33-17-15-26(36-29)23-8-5-16-32-28(23)38-22-12-10-21(11-13-22)35-27(37)24-18-19(30)9-14-25(24)34-20-6-3-2-4-7-20/h2-18,34H,1H3,(H,35,37)(H,31,33,36)
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n/an/an/an/a 20n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50326204
PNG
(CHEMBL1243137 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1C
Show InChI InChI=1S/C30H26N6O2/c1-20-19-22(35-28(37)23-11-6-7-13-25(23)34-21-9-4-3-5-10-21)14-15-27(20)38-29-24(12-8-17-32-29)26-16-18-33-30(31-2)36-26/h3-19,34H,1-2H3,(H,35,37)(H,31,33,36)
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n/an/an/an/a 89n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50326202
PNG
(CHEMBL1243042 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1C
Show InChI InChI=1S/C30H25N5O3/c1-20-19-21(34-28(36)24-11-6-7-13-27(24)37-22-9-4-3-5-10-22)14-15-26(20)38-29-23(12-8-17-32-29)25-16-18-33-30(31-2)35-25/h3-19H,1-2H3,(H,34,36)(H,31,33,35)
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n/an/a 56n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50326210
PNG
(2-(4-Fluorophenylamino)-N-(4-(3-(2-(methylamino)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H23FN6O2/c1-31-29-33-18-16-26(36-29)24-6-4-17-32-28(24)38-22-14-12-21(13-15-22)35-27(37)23-5-2-3-7-25(23)34-20-10-8-19(30)9-11-20/h2-18,34H,1H3,(H,35,37)(H,31,33,36)
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n/an/an/an/a 28n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair