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3 similar compounds to monomer 14210

Compile data set for download or QSAR
Wt: 400.4
BDBM12403
Purchase
Wt: 528.6
BDBM159254
Wt: 546.5
BDBM159255

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 12403,159254,159255   
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))
BDBM12403
PNG
(CHEMBL382590 | N-{4-[(6,7-dimethoxyquinazolin-4-yl...)
Show SMILES COc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-8-10-17(11-9-16)27-23(28)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26)
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Article
PubMed
n/an/a 393n/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the...


Bioorg Med Chem Lett 16: 1320-23 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM159254
PNG
(US9034886, V-17)
Show SMILES COc1cc2ncnc(Nc3ccc(cc3)C(=O)Nc3ccccc3N)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C29H32N6O4/c1-37-26-18-25-22(17-27(26)39-14-4-11-35-12-15-38-16-13-35)28(32-19-31-25)33-21-9-7-20(8-10-21)29(36)34-24-6-3-2-5-23(24)30/h2-3,5-10,17-19H,4,11-16,30H2,1H3,(H,34,36)(H,31,32,33)
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US Patent
n/an/a 735n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry; Jiangsu Hengyi Pharmaceutical Co., Ltd.

US Patent


Assay Description
The in vitro inhibitory activities of the compounds towards the subtype HDAC1 were tested according to the instructions in the HDAC1 Inhibitor Drug S...


US Patent US9034886 (2015)


BindingDB Entry DOI: 10.7270/Q27H1HB1
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM12403
PNG
(CHEMBL382590 | N-{4-[(6,7-dimethoxyquinazolin-4-yl...)
Show SMILES COc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-8-10-17(11-9-16)27-23(28)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26)
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Article
PubMed
n/an/a 310n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase A


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM12403
PNG
(CHEMBL382590 | N-{4-[(6,7-dimethoxyquinazolin-4-yl...)
Show SMILES COc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-8-10-17(11-9-16)27-23(28)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26)
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n/an/a 1.25E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase B in MCF7 cells


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM12403
PNG
(CHEMBL382590 | N-{4-[(6,7-dimethoxyquinazolin-4-yl...)
Show SMILES COc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-8-10-17(11-9-16)27-23(28)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26)
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Article
PubMed
n/an/a 393n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 49: 4805-8 (2006)


Article DOI: 10.1021/jm060522a
BindingDB Entry DOI: 10.7270/Q2QZ29KW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM159255
PNG
(US9034886, V-18)
Show SMILES COc1cc2ncnc(Nc3ccc(cc3)C(=O)Nc3cc(F)ccc3N)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C29H31FN6O4/c1-38-26-17-24-22(16-27(26)40-12-2-9-36-10-13-39-14-11-36)28(33-18-32-24)34-21-6-3-19(4-7-21)29(37)35-25-15-20(30)5-8-23(25)31/h3-8,15-18H,2,9-14,31H2,1H3,(H,35,37)(H,32,33,34)
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US Patent
n/an/a 330n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry; Jiangsu Hengyi Pharmaceutical Co., Ltd.

US Patent


Assay Description
The in vitro inhibitory activities of the compounds towards the subtype HDAC1 were tested according to the instructions in the HDAC1 Inhibitor Drug S...


US Patent US9034886 (2015)


BindingDB Entry DOI: 10.7270/Q27H1HB1
More data for this
Ligand-Target Pair